# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8c17b8d4-f84e-48fe-abe0-d7bd799bd303/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 Rb2CuCl3 / Pnma (62) / materials id 640053](https://mdr.nims.go.jp/datasets/1ed8d364-866c-40bb-98e4-9a714521e846) ## 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: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 12.478220289999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.144493800000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.869197590000001 ] # c points: - symbol: Rb # 1 coordinates: [ 0.827839480000000, 0.750000000000000, 0.028263580000000 ] mass: 85.467800 - symbol: Rb # 2 coordinates: [ 0.672160520000000, 0.250000000000000, 0.528263580000000 ] mass: 85.467800 - symbol: Rb # 3 coordinates: [ 0.327839480000000, 0.750000000000000, 0.471736420000000 ] mass: 85.467800 - symbol: Rb # 4 coordinates: [ 0.012629370000000, 0.250000000000000, 0.326647580000000 ] mass: 85.467800 - symbol: Rb # 5 coordinates: [ 0.487370630000000, 0.750000000000000, 0.826647580000000 ] mass: 85.467800 - symbol: Rb # 6 coordinates: [ 0.172160520000000, 0.250000000000000, 0.971736420000000 ] mass: 85.467800 - symbol: Rb # 7 coordinates: [ 0.987370630000000, 0.750000000000000, 0.673352420000000 ] mass: 85.467800 - symbol: Rb # 8 coordinates: [ 0.512629370000000, 0.250000000000000, 0.173352420000000 ] mass: 85.467800 - symbol: Cu # 9 coordinates: [ 0.743097400000000, 0.750000000000000, 0.310329340000000 ] mass: 63.546000 - symbol: Cu # 10 coordinates: [ 0.256902600000000, 0.250000000000000, 0.689670660000000 ] mass: 63.546000 - symbol: Cu # 11 coordinates: [ 0.243097400000000, 0.750000000000000, 0.189670660000000 ] mass: 63.546000 - symbol: Cu # 12 coordinates: [ 0.756902600000000, 0.250000000000000, 0.810329340000000 ] mass: 63.546000 - symbol: Cl # 13 coordinates: [ 0.433667280000000, 0.250000000000000, 0.639247860000000 ] mass: 35.453000 - symbol: Cl # 14 coordinates: [ 0.858676880000000, 0.750000000000000, 0.449074330000000 ] mass: 35.453000 - symbol: Cl # 15 coordinates: [ 0.141323120000000, 0.250000000000000, 0.550925670000000 ] mass: 35.453000 - symbol: Cl # 16 coordinates: [ 0.271429200000000, 0.250000000000000, 0.274975580000000 ] mass: 35.453000 - symbol: Cl # 17 coordinates: [ 0.933667280000000, 0.250000000000000, 0.860752140000000 ] mass: 35.453000 - symbol: Cl # 18 coordinates: [ 0.358676880000000, 0.750000000000000, 0.050925670000000 ] mass: 35.453000 - symbol: Cl # 19 coordinates: [ 0.566332720000000, 0.750000000000000, 0.360752140000000 ] mass: 35.453000 - symbol: Cl # 20 coordinates: [ 0.771429200000000, 0.250000000000000, 0.225024420000000 ] mass: 35.453000 - symbol: Cl # 21 coordinates: [ 0.228570800000000, 0.750000000000000, 0.774975580000000 ] mass: 35.453000 - symbol: Cl # 22 coordinates: [ 0.728570800000000, 0.750000000000000, 0.725024420000000 ] mass: 35.453000 - symbol: Cl # 23 coordinates: [ 0.641323120000000, 0.250000000000000, 0.949074330000000 ] mass: 35.453000 - symbol: Cl # 24 coordinates: [ 0.066332720000000, 0.750000000000000, 0.139247860000000 ] mass: 35.453000 reciprocal_lattice: # without 2pi - [ 0.080139633438063, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.241283989856614, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.077704922393689 ] # c*unit_cell: lattice: - [ 12.478220289999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.144493800000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.869197590000001 ] # c points: - symbol: Rb # 1 coordinates: [ 0.827839480000000, 0.750000000000000, 0.028263580000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.672160520000000, 0.250000000000000, 0.528263580000000 ] mass: 85.467800 reduced_to: 2 - symbol: Rb # 3 coordinates: [ 0.327839480000000, 0.750000000000000, 0.471736420000000 ] mass: 85.467800 reduced_to: 3 - symbol: Rb # 4 coordinates: [ 0.012629370000000, 0.250000000000000, 0.326647580000000 ] mass: 85.467800 reduced_to: 4 - symbol: Rb # 5 coordinates: [ 0.487370630000000, 0.750000000000000, 0.826647580000000 ] mass: 85.467800 reduced_to: 5 - symbol: Rb # 6 coordinates: [ 0.172160520000000, 0.250000000000000, 0.971736420000000 ] mass: 85.467800 reduced_to: 6 - symbol: Rb # 7 coordinates: [ 0.987370630000000, 0.750000000000000, 0.673352420000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 8 coordinates: [ 0.512629370000000, 0.250000000000000, 0.173352420000000 ] mass: 85.467800 reduced_to: 8 - symbol: Cu # 9 coordinates: [ 0.743097400000000, 0.750000000000000, 0.310329340000000 ] mass: 63.546000 reduced_to: 9 - symbol: Cu # 10 coordinates: [ 0.256902600000000, 0.250000000000000, 0.689670660000000 ] mass: 63.546000 reduced_to: 10 - symbol: Cu # 11 coordinates: [ 0.243097400000000, 0.750000000000000, 0.189670660000000 ] mass: 63.546000 reduced_to: 11 - symbol: Cu # 12 coordinates: [ 0.756902600000000, 0.250000000000000, 0.810329340000000 ] mass: 63.546000 reduced_to: 12 - symbol: Cl # 13 coordinates: [ 0.433667280000000, 0.250000000000000, 0.639247860000000 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 14 coordinates: [ 0.858676880000000, 0.750000000000000, 0.449074330000000 ] mass: 35.453000 reduced_to: 14 - symbol: Cl # 15 coordinates: [ 0.141323120000000, 0.250000000000000, 0.550925670000000 ] mass: 35.453000 reduced_to: 15 - symbol: Cl # 16 coordinates: [ 0.271429200000000, 0.250000000000000, 0.274975580000000 ] mass: 35.453000 reduced_to: 16 - symbol: Cl # 17 coordinates: [ 0.933667280000000, 0.250000000000000, 0.860752140000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 18 coordinates: [ 0.358676880000000, 0.750000000000000, 0.050925670000000 ] mass: 35.453000 reduced_to: 18 - symbol: Cl # 19 coordinates: [ 0.566332720000000, 0.750000000000000, 0.360752140000000 ] mass: 35.453000 reduced_to: 19 - symbol: Cl # 20 coordinates: [ 0.771429200000000, 0.250000000000000, 0.225024420000000 ] mass: 35.453000 reduced_to: 20 - symbol: Cl # 21 coordinates: [ 0.228570800000000, 0.750000000000000, 0.774975580000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 22 coordinates: [ 0.728570800000000, 0.750000000000000, 0.725024420000000 ] mass: 35.453000 reduced_to: 22 - symbol: Cl # 23 coordinates: [ 0.641323120000000, 0.250000000000000, 0.949074330000000 ] mass: 35.453000 reduced_to: 23 - symbol: Cl # 24 coordinates: [ 0.066332720000000, 0.750000000000000, 0.139247860000000 ] mass: 35.453000 reduced_to: 24supercell: lattice: - [ 24.956440579999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.433481400000002, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.869197590000001 ] # c points: - symbol: Rb # 1 coordinates: [ 0.413919740000000, 0.250000000000000, 0.028263580000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.913919740000000, 0.250000000000000, 0.028263580000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 3 coordinates: [ 0.413919740000000, 0.583333333333333, 0.028263580000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 4 coordinates: [ 0.913919740000000, 0.583333333333333, 0.028263580000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 5 coordinates: [ 0.413919740000000, 0.916666666666667, 0.028263580000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 6 coordinates: [ 0.913919740000000, 0.916666666666667, 0.028263580000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 7 coordinates: [ 0.336080260000000, 0.083333333333333, 0.528263580000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 8 coordinates: [ 0.836080260000000, 0.083333333333333, 0.528263580000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 9 coordinates: [ 0.336080260000000, 0.416666666666667, 0.528263580000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 10 coordinates: [ 0.836080260000000, 0.416666666666667, 0.528263580000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 11 coordinates: [ 0.336080260000000, 0.750000000000000, 0.528263580000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 12 coordinates: [ 0.836080260000000, 0.750000000000000, 0.528263580000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 13 coordinates: [ 0.163919740000000, 0.250000000000000, 0.471736420000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 14 coordinates: [ 0.663919740000000, 0.250000000000000, 0.471736420000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 15 coordinates: [ 0.163919740000000, 0.583333333333333, 0.471736420000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 16 coordinates: [ 0.663919740000000, 0.583333333333333, 0.471736420000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 17 coordinates: [ 0.163919740000000, 0.916666666666667, 0.471736420000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 18 coordinates: [ 0.663919740000000, 0.916666666666667, 0.471736420000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 19 coordinates: [ 0.006314685000000, 0.083333333333333, 0.326647580000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 20 coordinates: [ 0.506314685000000, 0.083333333333333, 0.326647580000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 21 coordinates: [ 0.006314685000000, 0.416666666666667, 0.326647580000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 22 coordinates: [ 0.506314685000000, 0.416666666666667, 0.326647580000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 23 coordinates: [ 0.006314685000000, 0.750000000000000, 0.326647580000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 24 coordinates: [ 0.506314685000000, 0.750000000000000, 0.326647580000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 25 coordinates: [ 0.243685315000000, 0.250000000000000, 0.826647580000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 26 coordinates: [ 0.743685315000000, 0.250000000000000, 0.826647580000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 27 coordinates: [ 0.243685315000000, 0.583333333333333, 0.826647580000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 28 coordinates: [ 0.743685315000000, 0.583333333333333, 0.826647580000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 29 coordinates: [ 0.243685315000000, 0.916666666666667, 0.826647580000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 30 coordinates: [ 0.743685315000000, 0.916666666666667, 0.826647580000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 31 coordinates: [ 0.086080260000000, 0.083333333333333, 0.971736420000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 32 coordinates: [ 0.586080260000000, 0.083333333333333, 0.971736420000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 33 coordinates: [ 0.086080260000000, 0.416666666666667, 0.971736420000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 34 coordinates: [ 0.586080260000000, 0.416666666666667, 0.971736420000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 35 coordinates: [ 0.086080260000000, 0.750000000000000, 0.971736420000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 36 coordinates: [ 0.586080260000000, 0.750000000000000, 0.971736420000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 37 coordinates: [ 0.493685315000000, 0.250000000000000, 0.673352420000000 ] mass: 85.467800 reduced_to: 37 - symbol: Rb # 38 coordinates: [ 0.993685315000000, 0.250000000000000, 0.673352420000000 ] mass: 85.467800 reduced_to: 37 - symbol: Rb # 39 coordinates: [ 0.493685315000000, 0.583333333333333, 0.673352420000000 ] mass: 85.467800 reduced_to: 37 - symbol: Rb # 40 coordinates: [ 0.993685315000000, 0.583333333333333, 0.673352420000000 ] mass: 85.467800 reduced_to: 37 - symbol: Rb # 41 coordinates: [ 0.493685315000000, 0.916666666666667, 0.673352420000000 ] mass: 85.467800 reduced_to: 37 - symbol: Rb # 42 coordinates: [ 0.993685315000000, 0.916666666666667, 0.673352420000000 ] mass: 85.467800 reduced_to: 37 - symbol: Rb # 43 coordinates: [ 0.256314685000000, 0.083333333333333, 0.173352420000000 ] mass: 85.467800 reduced_to: 43 - symbol: Rb # 44 coordinates: [ 0.756314685000000, 0.083333333333333, 0.173352420000000 ] mass: 85.467800 reduced_to: 43 - symbol: Rb # 45 coordinates: [ 0.256314685000000, 0.416666666666667, 0.173352420000000 ] mass: 85.467800 reduced_to: 43 - symbol: Rb # 46 coordinates: [ 0.756314685000000, 0.416666666666667, 0.173352420000000 ] mass: 85.467800 reduced_to: 43 - symbol: Rb # 47 coordinates: [ 0.256314685000000, 0.750000000000000, 0.173352420000000 ] mass: 85.467800 reduced_to: 43 - symbol: Rb # 48 coordinates: [ 0.756314685000000, 0.750000000000000, 0.173352420000000 ] mass: 85.467800 reduced_to: 43 - symbol: Cu # 49 coordinates: [ 0.371548700000000, 0.250000000000000, 0.310329340000000 ] mass: 63.546000 reduced_to: 49 - symbol: Cu # 50 coordinates: [ 0.871548700000000, 0.250000000000000, 0.310329340000000 ] mass: 63.546000 reduced_to: 49 - symbol: Cu # 51 coordinates: [ 0.371548700000000, 0.583333333333333, 0.310329340000000 ] mass: 63.546000 reduced_to: 49 - symbol: Cu # 52 coordinates: [ 0.871548700000000, 0.583333333333333, 0.310329340000000 ] mass: 63.546000 reduced_to: 49 - symbol: Cu # 53 coordinates: [ 0.371548700000000, 0.916666666666667, 0.310329340000000 ] mass: 63.546000 reduced_to: 49 - symbol: Cu # 54 coordinates: [ 0.871548700000000, 0.916666666666667, 0.310329340000000 ] mass: 63.546000 reduced_to: 49 - symbol: Cu # 55 coordinates: [ 0.128451300000000, 0.083333333333333, 0.689670660000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 56 coordinates: [ 0.628451300000000, 0.083333333333333, 0.689670660000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 57 coordinates: [ 0.128451300000000, 0.416666666666667, 0.689670660000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 58 coordinates: [ 0.628451300000000, 0.416666666666667, 0.689670660000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 59 coordinates: [ 0.128451300000000, 0.750000000000000, 0.689670660000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 60 coordinates: [ 0.628451300000000, 0.750000000000000, 0.689670660000000 ] mass: 63.546000 reduced_to: 55 - symbol: Cu # 61 coordinates: [ 0.121548700000000, 0.250000000000000, 0.189670660000000 ] mass: 63.546000 reduced_to: 61 - symbol: Cu # 62 coordinates: [ 0.621548700000000, 0.250000000000000, 0.189670660000000 ] mass: 63.546000 reduced_to: 61 - symbol: Cu # 63 coordinates: [ 0.121548700000000, 0.583333333333333, 0.189670660000000 ] mass: 63.546000 reduced_to: 61 - symbol: Cu # 64 coordinates: [ 0.621548700000000, 0.583333333333333, 0.189670660000000 ] mass: 63.546000 reduced_to: 61 - symbol: Cu # 65 coordinates: [ 0.121548700000000, 0.916666666666667, 0.189670660000000 ] mass: 63.546000 reduced_to: 61 - symbol: Cu # 66 coordinates: [ 0.621548700000000, 0.916666666666667, 0.189670660000000 ] mass: 63.546000 reduced_to: 61 - symbol: Cu # 67 coordinates: [ 0.378451300000000, 0.083333333333333, 0.810329340000000 ] mass: 63.546000 reduced_to: 67 - symbol: Cu # 68 coordinates: [ 0.878451300000000, 0.083333333333333, 0.810329340000000 ] mass: 63.546000 reduced_to: 67 - symbol: Cu # 69 coordinates: [ 0.378451300000000, 0.416666666666667, 0.810329340000000 ] mass: 63.546000 reduced_to: 67 - symbol: Cu # 70 coordinates: [ 0.878451300000000, 0.416666666666667, 0.810329340000000 ] mass: 63.546000 reduced_to: 67 - symbol: Cu # 71 coordinates: [ 0.378451300000000, 0.750000000000000, 0.810329340000000 ] mass: 63.546000 reduced_to: 67 - symbol: Cu # 72 coordinates: [ 0.878451300000000, 0.750000000000000, 0.810329340000000 ] mass: 63.546000 reduced_to: 67 - symbol: Cl # 73 coordinates: [ 0.216833640000000, 0.083333333333333, 0.639247860000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 74 coordinates: [ 0.716833640000000, 0.083333333333333, 0.639247860000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 75 coordinates: [ 0.216833640000000, 0.416666666666667, 0.639247860000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 76 coordinates: [ 0.716833640000000, 0.416666666666667, 0.639247860000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 77 coordinates: [ 0.216833640000000, 0.750000000000000, 0.639247860000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 78 coordinates: [ 0.716833640000000, 0.750000000000000, 0.639247860000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 79 coordinates: [ 0.429338440000000, 0.250000000000000, 0.449074330000000 ] mass: 35.453000 reduced_to: 79 - symbol: Cl # 80 coordinates: [ 0.929338440000000, 0.250000000000000, 0.449074330000000 ] mass: 35.453000 reduced_to: 79 - symbol: Cl # 81 coordinates: [ 0.429338440000000, 0.583333333333333, 0.449074330000000 ] mass: 35.453000 reduced_to: 79 - symbol: Cl # 82 coordinates: [ 0.929338440000000, 0.583333333333333, 0.449074330000000 ] mass: 35.453000 reduced_to: 79 - symbol: Cl # 83 coordinates: [ 0.429338440000000, 0.916666666666667, 0.449074330000000 ] mass: 35.453000 reduced_to: 79 - symbol: Cl # 84 coordinates: [ 0.929338440000000, 0.916666666666667, 0.449074330000000 ] mass: 35.453000 reduced_to: 79 - symbol: Cl # 85 coordinates: [ 0.070661560000000, 0.083333333333333, 0.550925670000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 86 coordinates: [ 0.570661560000000, 0.083333333333333, 0.550925670000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 87 coordinates: [ 0.070661560000000, 0.416666666666667, 0.550925670000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 88 coordinates: [ 0.570661560000000, 0.416666666666667, 0.550925670000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 89 coordinates: [ 0.070661560000000, 0.750000000000000, 0.550925670000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 90 coordinates: [ 0.570661560000000, 0.750000000000000, 0.550925670000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 91 coordinates: [ 0.135714600000000, 0.083333333333333, 0.274975580000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 92 coordinates: [ 0.635714600000000, 0.083333333333333, 0.274975580000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 93 coordinates: [ 0.135714600000000, 0.416666666666667, 0.274975580000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 94 coordinates: [ 0.635714600000000, 0.416666666666667, 0.274975580000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 95 coordinates: [ 0.135714600000000, 0.750000000000000, 0.274975580000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 96 coordinates: [ 0.635714600000000, 0.750000000000000, 0.274975580000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 97 coordinates: [ 0.466833640000000, 0.083333333333333, 0.860752140000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 98 coordinates: [ 0.966833640000000, 0.083333333333333, 0.860752140000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 99 coordinates: [ 0.466833640000000, 0.416666666666667, 0.860752140000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 100 coordinates: [ 0.966833640000000, 0.416666666666667, 0.860752140000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 101 coordinates: [ 0.466833640000000, 0.750000000000000, 0.860752140000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 102 coordinates: [ 0.966833640000000, 0.750000000000000, 0.860752140000000 ] mass: 35.453000 reduced_to: 97 - symbol: Cl # 103 coordinates: [ 0.179338440000000, 0.250000000000000, 0.050925670000000 ] mass: 35.453000 reduced_to: 103 - symbol: Cl # 104 coordinates: [ 0.679338440000000, 0.250000000000000, 0.050925670000000 ] mass: 35.453000 reduced_to: 103 - symbol: Cl # 105 coordinates: [ 0.179338440000000, 0.583333333333333, 0.050925670000000 ] mass: 35.453000 reduced_to: 103 - symbol: Cl # 106 coordinates: [ 0.679338440000000, 0.583333333333333, 0.050925670000000 ] mass: 35.453000 reduced_to: 103 - symbol: Cl # 107 coordinates: [ 0.179338440000000, 0.916666666666667, 0.050925670000000 ] mass: 35.453000 reduced_to: 103 - symbol: Cl # 108 coordinates: [ 0.679338440000000, 0.916666666666667, 0.050925670000000 ] mass: 35.453000 reduced_to: 103 - symbol: Cl # 109 coordinates: [ 0.283166360000000, 0.250000000000000, 0.360752140000000 ] mass: 35.453000 reduced_to: 109 - symbol: Cl # 110 coordinates: [ 0.783166360000000, 0.250000000000000, 0.360752140000000 ] mass: 35.453000 reduced_to: 109 - symbol: Cl # 111 coordinates: [ 0.283166360000000, 0.583333333333333, 0.360752140000000 ] mass: 35.453000 reduced_to: 109 - symbol: Cl # 112 coordinates: [ 0.783166360000000, 0.583333333333333, 0.360752140000000 ] mass: 35.453000 reduced_to: 109 - symbol: Cl # 113 coordinates: [ 0.283166360000000, 0.916666666666667, 0.360752140000000 ] mass: 35.453000 reduced_to: 109 - symbol: Cl # 114 coordinates: [ 0.783166360000000, 0.916666666666667, 0.360752140000000 ] mass: 35.453000 reduced_to: 109 - symbol: Cl # 115 coordinates: [ 0.385714600000000, 0.083333333333333, 0.225024420000000 ] mass: 35.453000 reduced_to: 115 - symbol: Cl # 116 coordinates: [ 0.885714600000000, 0.083333333333333, 0.225024420000000 ] mass: 35.453000 reduced_to: 115 - symbol: Cl # 117 coordinates: [ 0.385714600000000, 0.416666666666667, 0.225024420000000 ] mass: 35.453000 reduced_to: 115 - symbol: Cl # 118 coordinates: [ 0.885714600000000, 0.416666666666667, 0.225024420000000 ] mass: 35.453000 reduced_to: 115 - symbol: Cl # 119 coordinates: [ 0.385714600000000, 0.750000000000000, 0.225024420000000 ] mass: 35.453000 reduced_to: 115 - symbol: Cl # 120 coordinates: [ 0.885714600000000, 0.750000000000000, 0.225024420000000 ] mass: 35.453000 reduced_to: 115 - symbol: Cl # 121 coordinates: [ 0.114285400000000, 0.250000000000000, 0.774975580000000 ] mass: 35.453000 reduced_to: 121 - symbol: Cl # 122 coordinates: [ 0.614285400000000, 0.250000000000000, 0.774975580000000 ] mass: 35.453000 reduced_to: 121 - symbol: Cl # 123 coordinates: [ 0.114285400000000, 0.583333333333333, 0.774975580000000 ] mass: 35.453000 reduced_to: 121 - symbol: Cl # 124 coordinates: [ 0.614285400000000, 0.583333333333333, 0.774975580000000 ] mass: 35.453000 reduced_to: 121 - symbol: Cl # 125 coordinates: [ 0.114285400000000, 0.916666666666667, 0.774975580000000 ] mass: 35.453000 reduced_to: 121 - symbol: Cl # 126 coordinates: [ 0.614285400000000, 0.916666666666667, 0.774975580000000 ] mass: 35.453000 reduced_to: 121 - symbol: Cl # 127 coordinates: [ 0.364285400000000, 0.250000000000000, 0.725024420000000 ] mass: 35.453000 reduced_to: 127 - symbol: Cl # 128 coordinates: [ 0.864285400000000, 0.250000000000000, 0.725024420000000 ] mass: 35.453000 reduced_to: 127 - symbol: Cl # 129 coordinates: [ 0.364285400000000, 0.583333333333333, 0.725024420000000 ] mass: 35.453000 reduced_to: 127 - symbol: Cl # 130 coordinates: [ 0.864285400000000, 0.583333333333333, 0.725024420000000 ] mass: 35.453000 reduced_to: 127 - symbol: Cl # 131 coordinates: [ 0.364285400000000, 0.916666666666667, 0.725024420000000 ] mass: 35.453000 reduced_to: 127 - symbol: Cl # 132 coordinates: [ 0.864285400000000, 0.916666666666667, 0.725024420000000 ] mass: 35.453000 reduced_to: 127 - symbol: Cl # 133 coordinates: [ 0.320661560000000, 0.083333333333333, 0.949074330000000 ] mass: 35.453000 reduced_to: 133 - symbol: Cl # 134 coordinates: [ 0.820661560000000, 0.083333333333333, 0.949074330000000 ] mass: 35.453000 reduced_to: 133 - symbol: Cl # 135 coordinates: [ 0.320661560000000, 0.416666666666667, 0.949074330000000 ] mass: 35.453000 reduced_to: 133 - symbol: Cl # 136 coordinates: [ 0.820661560000000, 0.416666666666667, 0.949074330000000 ] mass: 35.453000 reduced_to: 133 - symbol: Cl # 137 coordinates: [ 0.320661560000000, 0.750000000000000, 0.949074330000000 ] mass: 35.453000 reduced_to: 133 - symbol: Cl # 138 coordinates: [ 0.820661560000000, 0.750000000000000, 0.949074330000000 ] mass: 35.453000 reduced_to: 133 - symbol: Cl # 139 coordinates: [ 0.033166360000000, 0.250000000000000, 0.139247860000000 ] mass: 35.453000 reduced_to: 139 - symbol: Cl # 140 coordinates: [ 0.533166360000000, 0.250000000000000, 0.139247860000000 ] mass: 35.453000 reduced_to: 139 - symbol: Cl # 141 coordinates: [ 0.033166360000000, 0.583333333333333, 0.139247860000000 ] mass: 35.453000 reduced_to: 139 - symbol: Cl # 142 coordinates: [ 0.533166360000000, 0.583333333333333, 0.139247860000000 ] mass: 35.453000 reduced_to: 139 - symbol: Cl # 143 coordinates: [ 0.033166360000000, 0.916666666666667, 0.139247860000000 ] mass: 35.453000 reduced_to: 139 - symbol: Cl # 144 coordinates: [ 0.533166360000000, 0.916666666666667, 0.139247860000000 ] mass: 35.453000 reduced_to: 139born_effective_charge:- # 1 (Rb) - [ 1.115135640000000, 0.000000000000000, 0.081275250000000 ] - [ 0.000000000000000, 1.213456480000000, 0.000000000000000 ] - [ 0.044439720000000, 0.000000000000000, 1.412349300000000 ]- # 2 (Rb) - [ 1.115135640000000, 0.000000000000000, -0.081275250000000 ] - [ 0.000000000000000, 1.213456480000000, 0.000000000000000 ] - [ -0.044439720000000, 0.000000000000000, 1.412349300000000 ]- # 3 (Rb) - [ 1.115135640000000, 0.000000000000000, -0.081275250000000 ] - [ 0.000000000000000, 1.213456480000000, 0.000000000000000 ] - [ -0.044439720000000, 0.000000000000000, 1.412349300000000 ]- # 4 (Rb) - [ 1.426678700000000, 0.000000000000000, -0.162892700000000 ] - [ 0.000000000000000, 1.074976400000000, 0.000000000000000 ] - [ -0.158113890000000, 0.000000000000000, 1.190839510000000 ]- # 5 (Rb) - [ 1.426678700000000, 0.000000000000000, 0.162892700000000 ] - [ 0.000000000000000, 1.074976400000000, 0.000000000000000 ] - [ 0.158113890000000, 0.000000000000000, 1.190839510000000 ]- # 6 (Rb) - [ 1.115135640000000, 0.000000000000000, 0.081275250000000 ] - [ 0.000000000000000, 1.213456480000000, 0.000000000000000 ] - [ 0.044439720000000, 0.000000000000000, 1.412349300000000 ]- # 7 (Rb) - [ 1.426678700000000, 0.000000000000000, -0.162892700000000 ] - [ 0.000000000000000, 1.074976400000000, 0.000000000000000 ] - [ -0.158113890000000, 0.000000000000000, 1.190839510000000 ]- # 8 (Rb) - [ 1.426678700000000, 0.000000000000000, 0.162892700000000 ] - [ 0.000000000000000, 1.074976400000000, 0.000000000000000 ] - [ 0.158113890000000, 0.000000000000000, 1.190839510000000 ]- # 9 (Cu) - [ 0.797839340000000, 0.000000000000000, 0.027557980000000 ] - [ 0.000000000000000, 1.208908930000000, 0.000000000000000 ] - [ 0.054162550000000, 0.000000000000000, 0.607159570000000 ]- # 10 (Cu) - [ 0.797839340000000, 0.000000000000000, 0.027557980000000 ] - [ 0.000000000000000, 1.208908930000000, 0.000000000000000 ] - [ 0.054162550000000, 0.000000000000000, 0.607159570000000 ]- # 11 (Cu) - [ 0.797839340000000, 0.000000000000000, -0.027557980000000 ] - [ 0.000000000000000, 1.208908930000000, 0.000000000000000 ] - [ -0.054162550000000, 0.000000000000000, 0.607159570000000 ]- # 12 (Cu) - [ 0.797839340000000, 0.000000000000000, -0.027557980000000 ] - [ 0.000000000000000, 1.208908930000000, 0.000000000000000 ] - [ -0.054162550000000, 0.000000000000000, 0.607159570000000 ]- # 13 (Cl) - [ -1.297342490000000, 0.000000000000000, 0.048736180000000 ] - [ 0.000000000000000, -0.966983630000000, 0.000000000000000 ] - [ -0.008639090000000, 0.000000000000000, -1.052739470000000 ]- # 14 (Cl) - [ -1.170464180000000, 0.000000000000000, -0.102589650000000 ] - [ 0.000000000000000, -0.960553590000000, 0.000000000000000 ] - [ -0.102736040000000, 0.000000000000000, -1.189239400000000 ]- # 15 (Cl) - [ -1.170464180000000, 0.000000000000000, -0.102589650000000 ] - [ 0.000000000000000, -0.960553590000000, 0.000000000000000 ] - [ -0.102736040000000, 0.000000000000000, -1.189239400000000 ]- # 16 (Cl) - [ -0.871847010000000, 0.000000000000000, -0.042999650000000 ] - [ 0.000000000000000, -1.569804590000000, 0.000000000000000 ] - [ -0.022532830000000, 0.000000000000000, -0.968369510000000 ]- # 17 (Cl) - [ -1.297342490000000, 0.000000000000000, -0.048736180000000 ] - [ 0.000000000000000, -0.966983630000000, 0.000000000000000 ] - [ 0.008639090000000, 0.000000000000000, -1.052739470000000 ]- # 18 (Cl) - [ -1.170464180000000, 0.000000000000000, 0.102589650000000 ] - [ 0.000000000000000, -0.960553590000000, 0.000000000000000 ] - [ 0.102736040000000, 0.000000000000000, -1.189239400000000 ]- # 19 (Cl) - [ -1.297342490000000, 0.000000000000000, 0.048736180000000 ] - [ 0.000000000000000, -0.966983630000000, 0.000000000000000 ] - [ -0.008639090000000, 0.000000000000000, -1.052739470000000 ]- # 20 (Cl) - [ -0.871847010000000, 0.000000000000000, 0.042999650000000 ] - [ 0.000000000000000, -1.569804590000000, 0.000000000000000 ] - [ 0.022532830000000, 0.000000000000000, -0.968369510000000 ]- # 21 (Cl) - [ -0.871847010000000, 0.000000000000000, 0.042999650000000 ] - [ 0.000000000000000, -1.569804590000000, 0.000000000000000 ] - [ 0.022532830000000, 0.000000000000000, -0.968369510000000 ]- # 22 (Cl) - [ -0.871847010000000, 0.000000000000000, -0.042999650000000 ] - [ 0.000000000000000, -1.569804590000000, 0.000000000000000 ] - [ -0.022532830000000, 0.000000000000000, -0.968369510000000 ]- # 23 (Cl) - [ -1.170464180000000, 0.000000000000000, 0.102589650000000 ] - [ 0.000000000000000, -0.960553590000000, 0.000000000000000 ] - [ 0.102736040000000, 0.000000000000000, -1.189239400000000 ]- # 24 (Cl) - [ -1.297342490000000, 0.000000000000000, -0.048736180000000 ] - [ 0.000000000000000, -0.966983630000000, 0.000000000000000 ] - [ 0.008639090000000, 0.000000000000000, -1.052739470000000 ]dielectric_constant: - [ 2.975522620000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.236103260000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.920204860000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0177923200000000, 0.0000000000000000, -0.0002364700000000 ] - [ 0.0000747100000000, 0.0000000000000000, -0.0002149500000000 ] - [ -0.0013698800000000, 0.0000466000000000, -0.0002152600000000 ] - [ 0.0000570500000000, 0.0000035400000000, -0.0002182200000000 ] - [ -0.0013698800000000, -0.0000466000000000, -0.0002152600000000 ] - [ 0.0000570500000000, -0.0000035400000000, -0.0002182200000000 ] - [ -0.0000354900000000, 0.0000916000000000, -0.0002042800000000 ] - [ 0.0003088600000000, -0.0000065900000000, -0.0002275200000000 ] - [ -0.0000354900000000, -0.0000916000000000, -0.0002042800000000 ] - [ 0.0003088600000000, 0.0000065900000000, -0.0002275200000000 ] - [ -0.0000167200000000, 0.0000000000000000, -0.0002108800000000 ] - [ 0.0002955700000000, 0.0000000000000000, -0.0002267000000000 ] - [ -0.0000126700000000, 0.0000000000000000, 0.0002037100000000 ] - [ -0.0000131700000000, 0.0000000000000000, 0.0003803700000000 ] - [ -0.0000603100000000, -0.0000320200000000, 0.0002231700000000 ] - [ -0.0000607900000000, 0.0000601000000000, 0.0003152600000000 ] - [ -0.0000603100000000, 0.0000320200000000, 0.0002231700000000 ] - [ -0.0000607900000000, -0.0000601000000000, 0.0003152600000000 ] - [ 0.0001356000000000, 0.0000085500000000, -0.0001060600000000 ] - [ -0.0007058800000000, -0.0004575100000000, 0.0007549600000000 ] - [ 0.0001356000000000, -0.0000085500000000, -0.0001060600000000 ] - [ -0.0007058800000000, 0.0004575100000000, 0.0007549600000000 ] - [ 0.0001128900000000, 0.0000000000000000, -0.0001015600000000 ] - [ -0.0005355500000000, 0.0000000000000000, 0.0001079200000000 ] - [ 0.0009428700000000, 0.0000000000000000, 0.0007297600000000 ] - [ 0.0003763100000000, 0.0000000000000000, -0.0001424900000000 ] - [ 0.0003360900000000, -0.0002729200000000, 0.0002053000000000 ] - [ 0.0003093300000000, 0.0000254900000000, -0.0000878700000000 ] - [ 0.0003360900000000, 0.0002729200000000, 0.0002053000000000 ] - [ 0.0003093300000000, -0.0000254900000000, -0.0000878700000000 ] - [ 0.0003795300000000, 0.0000446700000000, 0.0002674100000000 ] - [ 0.0011471500000000, -0.0008214200000000, -0.0002291600000000 ] - [ 0.0003795300000000, -0.0000446700000000, 0.0002674100000000 ] - [ 0.0011471500000000, 0.0008214200000000, -0.0002291600000000 ] - [ 0.0003265900000000, 0.0000000000000000, 0.0002565600000000 ] - [ 0.0000558400000000, 0.0000000000000000, 0.0001108600000000 ] - [ -0.0002426100000000, 0.0000000000000000, -0.0005309000000000 ] - [ 0.0003547900000000, 0.0000000000000000, 0.0000454500000000 ] - [ -0.0002051800000000, 0.0001499600000000, -0.0000914300000000 ] - [ 0.0003389700000000, -0.0000050200000000, 0.0000432600000000 ] - [ -0.0002051800000000, -0.0001499600000000, -0.0000914300000000 ] - [ 0.0003389700000000, 0.0000050200000000, 0.0000432600000000 ] - [ 0.0006186800000000, 0.0005397300000000, -0.0006455700000000 ] - [ 0.0002247000000000, -0.0000677800000000, 0.0001146600000000 ] - [ 0.0006186800000000, -0.0005397300000000, -0.0006455700000000 ] - [ 0.0002247000000000, 0.0000677800000000, 0.0001146600000000 ] - [ -0.0001424900000000, 0.0000000000000000, -0.0000359200000000 ] - [ 0.0001160500000000, 0.0000000000000000, 0.0001004500000000 ] - [ 0.0006384200000000, 0.0000000000000000, -0.0013535400000000 ] - [ 0.0009132000000000, 0.0000000000000000, -0.0008981500000000 ] - [ 0.0006907400000000, -0.0002083400000000, -0.0010765600000000 ] - [ 0.0008984700000000, 0.0000030200000000, -0.0008943400000000 ] - [ 0.0006907400000000, 0.0002083400000000, -0.0010765600000000 ] - [ 0.0008984700000000, -0.0000030200000000, -0.0008943400000000 ] - [ -0.0006724500000000, 0.0000238200000000, 0.0009208900000000 ] - [ -0.0007151200000000, -0.0000853300000000, 0.0008417400000000 ] - [ -0.0006724500000000, -0.0000238200000000, 0.0009208900000000 ] - [ -0.0007151200000000, 0.0000853300000000, 0.0008417400000000 ] - [ -0.0007037800000000, 0.0000000000000000, 0.0009382100000000 ] - [ -0.0007366900000000, 0.0000000000000000, 0.0008037900000000 ] - [ 0.0009771300000000, 0.0000000000000000, 0.0007800000000000 ] - [ 0.0019083100000000, 0.0000000000000000, 0.0012331300000000 ] - [ 0.0009121000000000, -0.0000318300000000, 0.0008786600000000 ] - [ 0.0007891200000000, 0.0001421900000000, 0.0007990300000000 ] - [ 0.0009121000000000, 0.0000318300000000, 0.0008786600000000 ] - [ 0.0007891200000000, -0.0001421900000000, 0.0007990300000000 ] - [ -0.0023567900000000, 0.0006151400000000, 0.0000801300000000 ] - [ -0.0006257300000000, -0.0000035800000000, -0.0009207100000000 ] - [ -0.0023567900000000, -0.0006151400000000, 0.0000801300000000 ] - [ -0.0006257300000000, 0.0000035800000000, -0.0009207100000000 ] - [ -0.0011041200000000, 0.0000000000000000, -0.0009531900000000 ] - [ -0.0006381400000000, 0.0000000000000000, -0.0009102500000000 ] - [ 0.0002814800000000, -0.0000613100000000, -0.0002971300000000 ] - [ 0.0002528800000000, 0.0000333900000000, -0.0001452700000000 ] - [ 0.0002814800000000, 0.0000613100000000, -0.0002971300000000 ] - [ 0.0002528800000000, -0.0000333900000000, -0.0001452700000000 ] - [ 0.0003467600000000, 0.0000000000000000, -0.0002544000000000 ] - [ 0.0002806400000000, 0.0000000000000000, -0.0001522500000000 ] - [ 0.0006517000000000, 0.0000000000000000, 0.0002118300000000 ] - [ -0.0001399300000000, 0.0000000000000000, 0.0001416300000000 ] - [ 0.0005020600000000, 0.0000187600000000, 0.0002697300000000 ] - [ -0.0001295500000000, 0.0000004600000000, 0.0001424400000000 ] - [ 0.0005020600000000, -0.0000187600000000, 0.0002697300000000 ] - [ -0.0001295500000000, -0.0000004600000000, 0.0001424400000000 ] - [ -0.0002387200000000, -0.0000117600000000, -0.0001862600000000 ] - [ 0.0000305500000000, 0.0000493200000000, -0.0001721500000000 ] - [ -0.0002387200000000, 0.0000117600000000, -0.0001862600000000 ] - [ 0.0000305500000000, -0.0000493200000000, -0.0001721500000000 ] - [ -0.0002155800000000, 0.0000000000000000, -0.0001844500000000 ] - [ 0.0000566100000000, 0.0000000000000000, -0.0001284600000000 ] - [ -0.0004841000000000, -0.0000554700000000, -0.0009810900000000 ] - [ -0.0005874700000000, 0.0004156400000000, -0.0012705900000000 ] - [ -0.0004841000000000, 0.0000554700000000, -0.0009810900000000 ] - [ -0.0005874700000000, -0.0004156400000000, -0.0012705900000000 ] - [ -0.0004057400000000, 0.0000000000000000, -0.0010133900000000 ] - [ -0.0003525300000000, 0.0000000000000000, -0.0011072400000000 ] - [ 0.0028730500000000, -0.0014483400000000, -0.0011194200000000 ] - [ 0.0001758800000000, -0.0000018800000000, 0.0001514000000000 ] - [ 0.0028730500000000, 0.0014483400000000, -0.0011194200000000 ] - [ 0.0001758800000000, 0.0000018800000000, 0.0001514000000000 ] - [ 0.0008632800000000, 0.0000000000000000, 0.0001984000000000 ] - [ 0.0001918700000000, 0.0000000000000000, 0.0001528900000000 ] - [ -0.0004577600000000, 0.0000000000000000, -0.0000496900000000 ] - [ -0.0005177400000000, 0.0000000000000000, -0.0000458500000000 ] - [ -0.0001673700000000, 0.0001029700000000, -0.0001117800000000 ] - [ -0.0001145000000000, -0.0001154700000000, -0.0001339700000000 ] - [ -0.0001673700000000, -0.0001029700000000, -0.0001117800000000 ] - [ -0.0001145000000000, 0.0001154700000000, -0.0001339700000000 ] - [ -0.0003100800000000, 0.0000000000000000, 0.0004121400000000 ] - [ -0.0006450800000000, 0.0000000000000000, 0.0001330400000000 ] - [ -0.0002583900000000, 0.0000891600000000, 0.0002524000000000 ] - [ -0.0006132500000000, -0.0000186800000000, 0.0001416300000000 ] - [ -0.0002583900000000, -0.0000891600000000, 0.0002524000000000 ] - [ -0.0006132500000000, 0.0000186800000000, 0.0001416300000000 ] - [ 0.0005631100000000, 0.0003498700000000, 0.0004750600000000 ] - [ -0.0004770800000000, 0.0000036000000000, 0.0010493600000000 ] - [ 0.0005631100000000, -0.0003498700000000, 0.0004750600000000 ] - [ -0.0004770800000000, -0.0000036000000000, 0.0010493600000000 ] - [ -0.0000961300000000, 0.0000000000000000, 0.0010536800000000 ] - [ -0.0004612700000000, 0.0000000000000000, 0.0010541000000000 ] - [ 0.0001324900000000, 0.0000000000000000, -0.0010960200000000 ] - [ 0.0001594300000000, 0.0000000000000000, -0.0007833200000000 ] - [ 0.0001873200000000, 0.0000253100000000, -0.0010698500000000 ] - [ 0.0002930600000000, -0.0001141200000000, -0.0009228900000000 ] - [ 0.0001873200000000, -0.0000253100000000, -0.0010698500000000 ] - [ 0.0002930600000000, 0.0001141200000000, -0.0009228900000000 ] - [ 0.0009459500000000, 0.0000000000000000, 0.0006062200000000 ] - [ 0.0001674800000000, 0.0000000000000000, 0.0010445100000000 ] - [ 0.0007661700000000, 0.0001202300000000, 0.0009332200000000 ] - [ 0.0001817400000000, -0.0000057300000000, 0.0010417900000000 ] - [ 0.0007661700000000, -0.0001202300000000, 0.0009332200000000 ] - [ 0.0001817400000000, 0.0000057300000000, 0.0010417900000000 ] - [ 0.0037201000000000, 0.0022841700000000, 0.0009277800000000 ] - [ -0.0002849300000000, 0.0000177300000000, 0.0002083400000000 ] - [ 0.0037201000000000, -0.0022841700000000, 0.0009277800000000 ] - [ -0.0002849300000000, -0.0000177300000000, 0.0002083400000000 ] - [ 0.0002320900000000, 0.0000000000000000, 0.0001322600000000 ] - [ -0.0002510800000000, 0.0000000000000000, 0.0001923700000000 ] - [ -0.0006851500000000, 0.0000000000000000, -0.0001530500000000 ] - [ 0.0035253500000000, 0.0000000000000000, 0.0012355300000000 ] - [ -0.0006244400000000, 0.0000123400000000, -0.0001608500000000 ] - [ -0.0002713600000000, -0.0003899900000000, -0.0002872300000000 ] - [ -0.0006244400000000, -0.0000123400000000, -0.0001608500000000 ] - [ -0.0002713600000000, 0.0003899900000000, -0.0002872300000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0174942100000000, 0.0000000000000000, -0.0001646000000000 ] - [ -0.0003468500000000, 0.0000000000000000, -0.0002435300000000 ] - [ 0.0010970000000000, -0.0000546200000000, -0.0002426300000000 ] - [ -0.0003290500000000, -0.0000034000000000, -0.0002405400000000 ] - [ 0.0010970000000000, 0.0000546200000000, -0.0002426300000000 ] - [ -0.0003290500000000, 0.0000034000000000, -0.0002405400000000 ] - [ 0.0003083500000000, -0.0000916900000000, -0.0002546700000000 ] - [ -0.0000364600000000, 0.0000065900000000, -0.0002310500000000 ] - [ 0.0003083500000000, 0.0000916900000000, -0.0002546700000000 ] - [ -0.0000364600000000, -0.0000065900000000, -0.0002310500000000 ] - [ 0.0002892800000000, 0.0000000000000000, -0.0002475400000000 ] - [ -0.0000229300000000, 0.0000000000000000, -0.0002316400000000 ] - [ -0.0002589100000000, 0.0000000000000000, 0.0002550800000000 ] - [ -0.0002593900000000, 0.0000000000000000, 0.0000784700000000 ] - [ -0.0002113600000000, 0.0000320700000000, 0.0002356200000000 ] - [ -0.0002117700000000, -0.0000602500000000, 0.0001433200000000 ] - [ -0.0002113600000000, -0.0000320700000000, 0.0002356200000000 ] - [ -0.0002117700000000, 0.0000602500000000, 0.0001433200000000 ] - [ -0.0003651500000000, -0.0000086600000000, -0.0000192900000000 ] - [ 0.0004726100000000, 0.0004556500000000, -0.0008775300000000 ] - [ -0.0003651500000000, 0.0000086600000000, -0.0000192900000000 ] - [ 0.0004726100000000, -0.0004556500000000, -0.0008775300000000 ] - [ -0.0003421400000000, 0.0000000000000000, -0.0000237800000000 ] - [ 0.0003042000000000, 0.0000000000000000, -0.0002328000000000 ] - [ -0.0007186100000000, 0.0000000000000000, -0.0008619200000000 ] - [ -0.0001462000000000, 0.0000000000000000, 0.0000168900000000 ] - [ -0.0001058500000000, 0.0002738900000000, -0.0003309900000000 ] - [ -0.0000795300000000, -0.0000254100000000, -0.0000376300000000 ] - [ -0.0001058500000000, -0.0002738900000000, -0.0003309900000000 ] - [ -0.0000795300000000, 0.0000254100000000, -0.0000376300000000 ] - [ -0.0001074500000000, -0.0000452700000000, 0.0001911200000000 ] - [ -0.0008656500000000, 0.0008132800000000, 0.0006847000000000 ] - [ -0.0001074500000000, 0.0000452700000000, 0.0001911200000000 ] - [ -0.0008656500000000, -0.0008132800000000, 0.0006847000000000 ] - [ -0.0000541000000000, 0.0000000000000000, 0.0002019900000000 ] - [ 0.0002153200000000, 0.0000000000000000, 0.0003477000000000 ] - [ 0.0004695800000000, 0.0000000000000000, 0.0006553500000000 ] - [ -0.0001248200000000, 0.0000000000000000, 0.0000800400000000 ] - [ 0.0004329400000000, -0.0001499800000000, 0.0002176400000000 ] - [ -0.0001088300000000, 0.0000051700000000, 0.0000821200000000 ] - [ 0.0004329400000000, 0.0001499800000000, 0.0002176400000000 ] - [ -0.0001088300000000, -0.0000051700000000, 0.0000821200000000 ] - [ -0.0008521800000000, -0.0005456700000000, 0.0007765000000000 ] - [ -0.0004541500000000, 0.0000676100000000, 0.0000111100000000 ] - [ -0.0008521800000000, 0.0005456700000000, 0.0007765000000000 ] - [ -0.0004541500000000, -0.0000676100000000, 0.0000111100000000 ] - [ -0.0000861300000000, 0.0000000000000000, 0.0001617300000000 ] - [ -0.0003452500000000, 0.0000000000000000, 0.0000250700000000 ] - [ 0.0009034300000000, 0.0000000000000000, -0.0004590700000000 ] - [ 0.0006265200000000, 0.0000000000000000, -0.0009099500000000 ] - [ 0.0008492800000000, 0.0002046200000000, -0.0007374300000000 ] - [ 0.0006399300000000, -0.0000028500000000, -0.0009129500000000 ] - [ 0.0008492800000000, -0.0002046200000000, -0.0007374300000000 ] - [ 0.0006399300000000, 0.0000028500000000, -0.0009129500000000 ] - [ -0.0008662400000000, -0.0000242200000000, 0.0008863300000000 ] - [ -0.0008221900000000, 0.0000842600000000, 0.0009715400000000 ] - [ -0.0008662400000000, 0.0000242200000000, 0.0008863300000000 ] - [ -0.0008221900000000, -0.0000842600000000, 0.0009715400000000 ] - [ -0.0008341400000000, 0.0000000000000000, 0.0008681900000000 ] - [ -0.0008029000000000, 0.0000000000000000, 0.0010064300000000 ] - [ 0.0005645100000000, 0.0000000000000000, 0.0010314400000000 ] - [ -0.0003725200000000, 0.0000000000000000, 0.0005749700000000 ] - [ 0.0006287400000000, 0.0000323500000000, 0.0009324000000000 ] - [ 0.0007517400000000, -0.0001418600000000, 0.0010081000000000 ] - [ 0.0006287400000000, -0.0000323500000000, 0.0009324000000000 ] - [ 0.0007517400000000, 0.0001418600000000, 0.0010081000000000 ] - [ 0.0008217200000000, -0.0006130200000000, -0.0018917600000000 ] - [ -0.0009146400000000, 0.0000035700000000, -0.0008894600000000 ] - [ 0.0008217200000000, 0.0006130200000000, -0.0018917600000000 ] - [ -0.0009146400000000, -0.0000035700000000, -0.0008894600000000 ] - [ -0.0004343400000000, 0.0000000000000000, -0.0008610800000000 ] - [ -0.0009018200000000, 0.0000000000000000, -0.0009023600000000 ] - [ 0.0005249100000000, 0.0000617000000000, -0.0000317900000000 ] - [ 0.0005504200000000, -0.0000332700000000, -0.0001819800000000 ] - [ 0.0005249100000000, -0.0000617000000000, -0.0000317900000000 ] - [ 0.0005504200000000, 0.0000332700000000, -0.0001819800000000 ] - [ 0.0004579800000000, 0.0000000000000000, -0.0000748200000000 ] - [ 0.0005284000000000, 0.0000000000000000, -0.0001771300000000 ] - [ -0.0005219100000000, 0.0000000000000000, 0.0001188000000000 ] - [ 0.0002597700000000, 0.0000000000000000, 0.0001787600000000 ] - [ -0.0003783100000000, -0.0000180900000000, 0.0000540700000000 ] - [ 0.0002516600000000, -0.0000007000000000, 0.0001807700000000 ] - [ -0.0003783100000000, 0.0000180900000000, 0.0000540700000000 ] - [ 0.0002516600000000, 0.0000007000000000, 0.0001807700000000 ] - [ 0.0001146100000000, 0.0000115400000000, -0.0001391500000000 ] - [ -0.0001514300000000, -0.0000490700000000, -0.0001501700000000 ] - [ 0.0001146100000000, -0.0000115400000000, -0.0001391500000000 ] - [ -0.0001514300000000, 0.0000490700000000, -0.0001501700000000 ] - [ 0.0000921400000000, 0.0000000000000000, -0.0001395800000000 ] - [ -0.0001809300000000, 0.0000000000000000, -0.0001984000000000 ] - [ -0.0001490300000000, 0.0000512300000000, -0.0011084000000000 ] - [ -0.0000448400000000, -0.0004175300000000, -0.0008176700000000 ] - [ -0.0001490300000000, -0.0000512300000000, -0.0011084000000000 ] - [ -0.0000448400000000, 0.0004175300000000, -0.0008176700000000 ] - [ -0.0002288600000000, 0.0000000000000000, -0.0010784700000000 ] - [ -0.0002806300000000, 0.0000000000000000, -0.0009821500000000 ] - [ -0.0020639700000000, 0.0014197800000000, 0.0014162500000000 ] - [ 0.0006321000000000, 0.0000020200000000, 0.0001775100000000 ] - [ -0.0020639700000000, -0.0014197800000000, 0.0014162500000000 ] - [ 0.0006321000000000, -0.0000020200000000, 0.0001775100000000 ] - [ -0.0000584800000000, 0.0000000000000000, 0.0001290000000000 ] - [ 0.0006164900000000, 0.0000000000000000, 0.0001756700000000 ] - [ 0.0005865200000000, 0.0000000000000000, -0.0002783800000000 ] - [ 0.0006412100000000, 0.0000000000000000, -0.0002808400000000 ] - [ 0.0002894500000000, -0.0001036100000000, -0.0002112100000000 ] - [ 0.0002371900000000, 0.0001149400000000, -0.0001915300000000 ] - [ 0.0002894500000000, 0.0001036100000000, -0.0002112100000000 ] - [ 0.0002371900000000, -0.0001149400000000, -0.0001915300000000 ] - [ -0.0005051800000000, 0.0000000000000000, -0.0000829900000000 ] - [ -0.0001561900000000, 0.0000000000000000, 0.0001940200000000 ] - [ -0.0005479600000000, -0.0000887500000000, 0.0000761400000000 ] - [ -0.0001908100000000, 0.0000184000000000, 0.0001865500000000 ] - [ -0.0005479600000000, 0.0000887500000000, 0.0000761400000000 ] - [ -0.0001908100000000, -0.0000184000000000, 0.0001865500000000 ] - [ -0.0011924800000000, -0.0003586200000000, 0.0016147200000000 ] - [ -0.0001573200000000, -0.0000003100000000, 0.0010443800000000 ] - [ -0.0011924800000000, 0.0003586200000000, 0.0016147200000000 ] - [ -0.0001573200000000, 0.0000003100000000, 0.0010443800000000 ] - [ -0.0005372900000000, 0.0000000000000000, 0.0010381300000000 ] - [ -0.0001726500000000, 0.0000000000000000, 0.0010385800000000 ] - [ 0.0004999200000000, 0.0000000000000000, -0.0009918700000000 ] - [ 0.0004732400000000, 0.0000000000000000, -0.0013061100000000 ] - [ 0.0004446600000000, -0.0000249100000000, -0.0010186400000000 ] - [ 0.0003399100000000, 0.0001088300000000, -0.0011654600000000 ] - [ 0.0004446600000000, 0.0000249100000000, -0.0010186400000000 ] - [ 0.0003399100000000, -0.0001088300000000, -0.0011654600000000 ] - [ -0.0003135100000000, 0.0000000000000000, 0.0014875800000000 ] - [ 0.0004658200000000, 0.0000000000000000, 0.0010459900000000 ] - [ -0.0001319000000000, -0.0001214200000000, 0.0011612100000000 ] - [ 0.0004518200000000, 0.0000060200000000, 0.0010488200000000 ] - [ -0.0001319000000000, 0.0001214200000000, 0.0011612100000000 ] - [ 0.0004518200000000, -0.0000060200000000, 0.0010488200000000 ] - [ -0.0039508700000000, -0.0023984300000000, -0.0006624400000000 ] - [ 0.0001594700000000, -0.0000172500000000, 0.0001170500000000 ] - [ -0.0039508700000000, 0.0023984300000000, -0.0006624400000000 ] - [ 0.0001594700000000, 0.0000172500000000, 0.0001170500000000 ] - [ -0.0003543200000000, 0.0000000000000000, 0.0001900700000000 ] - [ 0.0001256400000000, 0.0000000000000000, 0.0001332400000000 ] - [ -0.0001252200000000, 0.0000000000000000, -0.0001771100000000 ] - [ -0.0041159400000000, 0.0000000000000000, -0.0014551000000000 ] - [ -0.0001806800000000, -0.0000124500000000, -0.0001675000000000 ] - [ -0.0005344800000000, 0.0003879400000000, -0.0000420500000000 ] - [ -0.0001806800000000, 0.0000124500000000, -0.0001675000000000 ] - [ -0.0005344800000000, -0.0003879400000000, -0.0000420500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000613400000000, -0.0218954200000000, -0.0001396000000000 ] - [ -0.0001364100000000, -0.0000095000000000, -0.0002289600000000 ] - [ -0.0001871600000000, 0.0031405200000000, -0.0002320600000000 ] - [ -0.0001399300000000, 0.0000046600000000, -0.0002310300000000 ] - [ -0.0000860300000000, 0.0031103600000000, -0.0002263100000000 ] - [ -0.0001329100000000, 0.0000046400000000, -0.0002268800000000 ] - [ 0.0002280400000000, -0.0001605700000000, -0.0002373400000000 ] - [ 0.0001296300000000, -0.0000044500000000, -0.0002265400000000 ] - [ 0.0000446900000000, -0.0001611900000000, -0.0002212800000000 ] - [ 0.0001428200000000, -0.0000044100000000, -0.0002311400000000 ] - [ 0.0001362200000000, 0.0003183600000000, -0.0002291700000000 ] - [ 0.0001362700000000, 0.0000087100000000, -0.0002288300000000 ] - [ -0.0001363100000000, -0.0000681500000000, 0.0002287500000000 ] - [ -0.0001364700000000, -0.0000681300000000, 0.0002285700000000 ] - [ -0.0001964000000000, 0.0000342400000000, 0.0002482900000000 ] - [ -0.0001043700000000, 0.0000341200000000, 0.0002309300000000 ] - [ -0.0000762000000000, 0.0000345600000000, 0.0002094000000000 ] - [ -0.0001683100000000, 0.0000346800000000, 0.0002269300000000 ] - [ -0.0000974100000000, -0.0000085900000000, -0.0000638500000000 ] - [ -0.0005377900000000, -0.0000835200000000, -0.0005189200000000 ] - [ -0.0001311500000000, -0.0000085800000000, -0.0000600100000000 ] - [ 0.0003105500000000, -0.0000865100000000, 0.0003948000000000 ] - [ -0.0001143600000000, 0.0000172100000000, -0.0000619000000000 ] - [ -0.0001140600000000, 0.0002864600000000, -0.0000612200000000 ] - [ 0.0001145900000000, -0.0006638800000000, -0.0000616700000000 ] - [ 0.0001139700000000, -0.0000297300000000, -0.0000618200000000 ] - [ -0.0002247500000000, 0.0003265500000000, -0.0002643300000000 ] - [ 0.0001521900000000, 0.0000149000000000, -0.0000732900000000 ] - [ 0.0004517100000000, 0.0003266700000000, 0.0001399400000000 ] - [ 0.0000760500000000, 0.0000149800000000, -0.0000508000000000 ] - [ 0.0001811400000000, -0.0000329900000000, 0.0002325800000000 ] - [ -0.0006805600000000, -0.0000617200000000, 0.0001906900000000 ] - [ 0.0000911900000000, -0.0000330800000000, 0.0002251700000000 ] - [ 0.0009539800000000, -0.0000653200000000, 0.0002677500000000 ] - [ 0.0001361100000000, 0.0000658300000000, 0.0002289100000000 ] - [ 0.0001371000000000, 0.0002895800000000, 0.0002285600000000 ] - [ 0.0001140700000000, -0.0006856200000000, 0.0000627700000000 ] - [ 0.0001140300000000, -0.0000146000000000, 0.0000619400000000 ] - [ 0.0003307100000000, 0.0003380000000000, -0.0002401600000000 ] - [ 0.0001027400000000, 0.0000072200000000, 0.0000606800000000 ] - [ -0.0001013700000000, 0.0003384200000000, 0.0003631200000000 ] - [ 0.0001251800000000, 0.0000072300000000, 0.0000631600000000 ] - [ 0.0006083800000000, -0.0000647100000000, -0.0003298900000000 ] - [ -0.0001451000000000, -0.0000203300000000, 0.0000552900000000 ] - [ -0.0008375400000000, -0.0000661100000000, 0.0004547700000000 ] - [ -0.0000837700000000, -0.0000207200000000, 0.0000685700000000 ] - [ -0.0001146600000000, 0.0002831200000000, 0.0000624500000000 ] - [ -0.0001140100000000, 0.0000410200000000, 0.0000620000000000 ] - [ 0.0007705700000000, -0.0015434400000000, -0.0009030600000000 ] - [ 0.0007702000000000, 0.0000077600000000, -0.0009029100000000 ] - [ 0.0006872900000000, 0.0007477700000000, -0.0007395600000000 ] - [ 0.0007737300000000, 0.0000171700000000, -0.0009069200000000 ] - [ 0.0008516700000000, 0.0007520100000000, -0.0010688800000000 ] - [ 0.0007669800000000, 0.0000168900000000, -0.0008988100000000 ] - [ -0.0007282900000000, -0.0000356700000000, 0.0008781500000000 ] - [ -0.0007996600000000, -0.0000775500000000, 0.0008528000000000 ] - [ -0.0008119300000000, -0.0000356300000000, 0.0009268700000000 ] - [ -0.0007398300000000, -0.0000777400000000, 0.0009541600000000 ] - [ -0.0007700600000000, 0.0000297800000000, 0.0009027000000000 ] - [ -0.0007697400000000, 0.0001135300000000, 0.0009018800000000 ] - [ 0.0007711500000000, -0.0000717000000000, 0.0009030200000000 ] - [ 0.0007678300000000, -0.0000438700000000, 0.0009024300000000 ] - [ 0.0007274500000000, 0.0000152100000000, 0.0009698400000000 ] - [ 0.0009965500000000, 0.0000176500000000, 0.0010149700000000 ] - [ 0.0008145200000000, 0.0000152300000000, 0.0008370800000000 ] - [ 0.0005459900000000, 0.0000188700000000, 0.0007943600000000 ] - [ -0.0001090900000000, 0.0006585500000000, 0.0010998700000000 ] - [ -0.0007709600000000, 0.0000106900000000, -0.0008963400000000 ] - [ -0.0014361900000000, 0.0006662300000000, -0.0029256700000000 ] - [ -0.0007710700000000, 0.0000106900000000, -0.0009083500000000 ] - [ -0.0007708500000000, 0.0005233000000000, -0.0009030600000000 ] - [ -0.0007708300000000, 0.0000206500000000, -0.0009027300000000 ] - [ 0.0003120000000000, 0.0000664600000000, -0.0002004500000000 ] - [ 0.0004259400000000, 0.0000211200000000, -0.0001600600000000 ] - [ 0.0005034800000000, 0.0000665100000000, -0.0001258000000000 ] - [ 0.0003880300000000, 0.0000213300000000, -0.0001657200000000 ] - [ 0.0004099900000000, -0.0001329400000000, -0.0001638300000000 ] - [ 0.0004073100000000, -0.0000422900000000, -0.0001630700000000 ] - [ 0.0000681000000000, 0.0004239500000000, 0.0001661200000000 ] - [ 0.0000696800000000, 0.0000086800000000, 0.0001675700000000 ] - [ -0.0000117200000000, -0.0002097800000000, 0.0000326400000000 ] - [ 0.0000722700000000, -0.0000043600000000, 0.0001692500000000 ] - [ 0.0001525000000000, -0.0002111000000000, 0.0003054400000000 ] - [ 0.0000679600000000, -0.0000043300000000, 0.0001667100000000 ] - [ -0.0000927200000000, 0.0000131100000000, -0.0001656300000000 ] - [ 0.0000186000000000, 0.0000705100000000, -0.0001515600000000 ] - [ -0.0000448500000000, 0.0000133100000000, -0.0001683100000000 ] - [ -0.0001555500000000, 0.0000706700000000, -0.0001808200000000 ] - [ -0.0000703800000000, -0.0000265000000000, -0.0001687700000000 ] - [ -0.0000686800000000, -0.0001399500000000, -0.0001667100000000 ] - [ -0.0003970600000000, 0.0000440600000000, -0.0010190200000000 ] - [ -0.0002619800000000, 0.0001255000000000, -0.0010563100000000 ] - [ -0.0002370200000000, 0.0000444500000000, -0.0010608500000000 ] - [ -0.0003716600000000, 0.0001297800000000, -0.0010230500000000 ] - [ -0.0003171100000000, -0.0000880400000000, -0.0010399200000000 ] - [ -0.0003179600000000, -0.0002074800000000, -0.0010407500000000 ] - [ -0.0010384200000000, 0.0028622200000000, 0.0022522900000000 ] - [ 0.0004039300000000, 0.0000043300000000, 0.0001614100000000 ] - [ 0.0019048700000000, 0.0029312500000000, -0.0020234800000000 ] - [ 0.0004135000000000, 0.0000043500000000, 0.0001654800000000 ] - [ 0.0004072400000000, -0.0006306300000000, 0.0001652100000000 ] - [ 0.0004073800000000, -0.0000086700000000, 0.0001629500000000 ] - [ 0.0000704800000000, 0.0002162300000000, -0.0001690200000000 ] - [ 0.0000716700000000, 0.0001118000000000, -0.0001695200000000 ] - [ 0.0002378000000000, -0.0001076600000000, -0.0002236400000000 ] - [ -0.0000428400000000, -0.0000579600000000, -0.0001816200000000 ] - [ -0.0000970400000000, -0.0001077200000000, -0.0001136900000000 ] - [ 0.0001822800000000, -0.0000584300000000, -0.0001552200000000 ] - [ -0.0004068900000000, 0.0004362900000000, 0.0001627500000000 ] - [ -0.0004080600000000, 0.0000136200000000, 0.0001632400000000 ] - [ -0.0002114000000000, -0.0002123700000000, 0.0000180100000000 ] - [ -0.0004188400000000, -0.0000066800000000, 0.0001630000000000 ] - [ -0.0006088600000000, -0.0002134200000000, 0.0003097400000000 ] - [ -0.0003985100000000, -0.0000067800000000, 0.0001635800000000 ] - [ 0.0000826300000000, 0.0020056000000000, -0.0004219400000000 ] - [ -0.0003168000000000, 0.0000046900000000, 0.0010421600000000 ] - [ -0.0007406300000000, 0.0020580200000000, 0.0025792800000000 ] - [ -0.0003178700000000, 0.0000041000000000, 0.0010392900000000 ] - [ -0.0003168300000000, -0.0006692400000000, 0.0010392000000000 ] - [ -0.0003173100000000, -0.0000089400000000, 0.0010406300000000 ] - [ 0.0003177000000000, 0.0000518000000000, -0.0010415400000000 ] - [ 0.0003177600000000, 0.0002109200000000, -0.0010422400000000 ] - [ 0.0003661700000000, -0.0000272500000000, -0.0010210200000000 ] - [ 0.0002048600000000, -0.0001048700000000, -0.0009943500000000 ] - [ 0.0002686600000000, -0.0000243800000000, -0.0010607500000000 ] - [ 0.0004301900000000, -0.0001049800000000, -0.0010894900000000 ] - [ 0.0003174100000000, 0.0012303200000000, 0.0010417900000000 ] - [ 0.0003175300000000, 0.0000122500000000, 0.0010414700000000 ] - [ 0.0004249700000000, -0.0006484300000000, 0.0013165100000000 ] - [ 0.0003139100000000, -0.0000053200000000, 0.0010427800000000 ] - [ 0.0002100800000000, -0.0006477500000000, 0.0007673800000000 ] - [ 0.0003213400000000, -0.0000070200000000, 0.0010407100000000 ] - [ 0.0021674400000000, 0.0027797300000000, 0.0010213200000000 ] - [ -0.0000602800000000, 0.0000081800000000, 0.0001645200000000 ] - [ -0.0023970500000000, 0.0028446100000000, -0.0007335300000000 ] - [ -0.0000778000000000, 0.0000081500000000, 0.0001698700000000 ] - [ -0.0000673700000000, -0.0006228400000000, 0.0001680600000000 ] - [ -0.0000682800000000, -0.0000163400000000, 0.0001662600000000 ] - [ -0.0004102800000000, 0.0000228100000000, -0.0001638400000000 ] - [ -0.0004129800000000, 0.0006242800000000, -0.0001651700000000 ] - [ -0.0003767400000000, -0.0000113500000000, -0.0001696900000000 ] - [ -0.0009034800000000, -0.0003494600000000, -0.0004070100000000 ] - [ -0.0004427200000000, -0.0000114200000000, -0.0001578000000000 ] - [ 0.0000798400000000, -0.0003488200000000, 0.0000777700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001912000000000, 0.0000000000000000, -0.0194140000000000 ] - [ -0.0001215600000000, 0.0000000000000000, -0.0002431500000000 ] - [ -0.0001223700000000, -0.0000016600000000, -0.0015551900000000 ] - [ -0.0001247100000000, 0.0000019800000000, -0.0002418400000000 ] - [ -0.0001223700000000, 0.0000016600000000, -0.0015551900000000 ] - [ -0.0001247100000000, -0.0000019800000000, -0.0002418400000000 ] - [ 0.0001103600000000, 0.0000064100000000, 0.0007721200000000 ] - [ 0.0001342200000000, -0.0000023900000000, -0.0002040800000000 ] - [ 0.0001103600000000, -0.0000064100000000, 0.0007721200000000 ] - [ 0.0001342200000000, 0.0000023900000000, -0.0002040800000000 ] - [ 0.0001176900000000, 0.0000000000000000, 0.0003130900000000 ] - [ 0.0001337000000000, 0.0000000000000000, -0.0002061300000000 ] - [ -0.0002875800000000, 0.0000000000000000, 0.0004131500000000 ] - [ -0.0001099600000000, 0.0000000000000000, 0.0004127100000000 ] - [ -0.0002222700000000, 0.0000020100000000, 0.0003579900000000 ] - [ -0.0001294700000000, 0.0000194600000000, 0.0003580000000000 ] - [ -0.0002222700000000, -0.0000020100000000, 0.0003579900000000 ] - [ -0.0001294700000000, -0.0000194600000000, 0.0003580000000000 ] - [ -0.0001169800000000, -0.0000015200000000, -0.0000496300000000 ] - [ 0.0005881100000000, -0.0004663100000000, 0.0006890100000000 ] - [ -0.0001169800000000, 0.0000015200000000, -0.0000496300000000 ] - [ 0.0005881100000000, 0.0004663100000000, 0.0006890100000000 ] - [ -0.0001121200000000, 0.0000000000000000, -0.0000514200000000 ] - [ 0.0000690600000000, 0.0000000000000000, 0.0000114900000000 ] - [ 0.0009789500000000, 0.0000000000000000, 0.0001011000000000 ] - [ 0.0000683400000000, 0.0000000000000000, -0.0001385700000000 ] - [ 0.0004650100000000, -0.0001579400000000, 0.0000057700000000 ] - [ 0.0000773000000000, 0.0000013400000000, -0.0001078100000000 ] - [ 0.0004650100000000, 0.0001579400000000, 0.0000057700000000 ] - [ 0.0000773000000000, -0.0000013400000000, -0.0001078100000000 ] - [ 0.0001742400000000, 0.0000037300000000, 0.0001789900000000 ] - [ -0.0003223700000000, -0.0000379600000000, -0.0004160000000000 ] - [ 0.0001742400000000, -0.0000037300000000, 0.0001789900000000 ] - [ -0.0003223700000000, 0.0000379600000000, -0.0004160000000000 ] - [ 0.0001634600000000, 0.0000000000000000, 0.0001892600000000 ] - [ 0.0000172200000000, 0.0000000000000000, -0.0000040400000000 ] - [ -0.0005595400000000, 0.0000000000000000, 0.0014693000000000 ] - [ 0.0001497100000000, 0.0000000000000000, 0.0000730700000000 ] - [ -0.0001387200000000, -0.0002643100000000, 0.0006538500000000 ] - [ 0.0001444100000000, -0.0000008900000000, 0.0000705900000000 ] - [ -0.0001387200000000, 0.0002643100000000, 0.0006538500000000 ] - [ 0.0001444100000000, 0.0000008900000000, 0.0000705900000000 ] - [ -0.0008233000000000, -0.0002606000000000, -0.0004386000000000 ] - [ -0.0000185200000000, -0.0000288200000000, 0.0000519900000000 ] - [ -0.0008233000000000, 0.0002606000000000, -0.0004386000000000 ] - [ -0.0000185200000000, 0.0000288200000000, 0.0000519900000000 ] - [ -0.0002711100000000, 0.0000000000000000, -0.0002284900000000 ] - [ -0.0000667800000000, 0.0000000000000000, 0.0000515700000000 ] - [ 0.0003086800000000, 0.0000000000000000, 0.0007724900000000 ] - [ 0.0007902400000000, 0.0000000000000000, -0.0009016600000000 ] - [ 0.0006083200000000, 0.0008439600000000, -0.0002375900000000 ] - [ 0.0007855800000000, 0.0000019900000000, -0.0008984900000000 ] - [ 0.0006083200000000, -0.0008439600000000, -0.0002375900000000 ] - [ 0.0007855800000000, -0.0000019900000000, -0.0008984900000000 ] - [ -0.0007103400000000, 0.0000089000000000, 0.0009112700000000 ] - [ -0.0007845400000000, 0.0000419300000000, 0.0010020000000000 ] - [ -0.0007103400000000, -0.0000089000000000, 0.0009112700000000 ] - [ -0.0007845400000000, -0.0000419300000000, 0.0010020000000000 ] - [ -0.0007339700000000, 0.0000000000000000, 0.0009169100000000 ] - [ -0.0007909700000000, 0.0000000000000000, 0.0009789200000000 ] - [ 0.0007873400000000, 0.0000000000000000, 0.0008333500000000 ] - [ 0.0013945000000000, 0.0000000000000000, 0.0011061300000000 ] - [ 0.0007836700000000, 0.0000160100000000, 0.0008445000000000 ] - [ 0.0008370400000000, 0.0000670700000000, 0.0008465300000000 ] - [ 0.0007836700000000, -0.0000160100000000, 0.0008445000000000 ] - [ 0.0008370400000000, -0.0000670700000000, 0.0008465300000000 ] - [ 0.0002480200000000, 0.0019019500000000, 0.0005027400000000 ] - [ -0.0007562800000000, -0.0000003400000000, -0.0009128800000000 ] - [ 0.0002480200000000, -0.0019019500000000, 0.0005027400000000 ] - [ -0.0007562800000000, 0.0000003400000000, -0.0009128800000000 ] - [ -0.0007956000000000, 0.0000000000000000, -0.0012019400000000 ] - [ -0.0007602000000000, 0.0000000000000000, -0.0009074200000000 ] - [ 0.0002650700000000, -0.0000380900000000, -0.0003892800000000 ] - [ 0.0004650100000000, -0.0000060100000000, -0.0002209500000000 ] - [ 0.0002650700000000, 0.0000380900000000, -0.0003892800000000 ] - [ 0.0004650100000000, 0.0000060100000000, -0.0002209500000000 ] - [ 0.0003279200000000, 0.0000000000000000, -0.0003280100000000 ] - [ 0.0004617500000000, 0.0000000000000000, -0.0002143100000000 ] - [ -0.0001129600000000, 0.0000000000000000, -0.0008508200000000 ] - [ 0.0000531600000000, 0.0000000000000000, 0.0001501500000000 ] - [ -0.0000383100000000, -0.0001994800000000, -0.0004466800000000 ] - [ 0.0000566900000000, -0.0000009100000000, 0.0001536900000000 ] - [ -0.0000383100000000, 0.0001994800000000, -0.0004466800000000 ] - [ 0.0000566900000000, 0.0000009100000000, 0.0001536900000000 ] - [ -0.0000935800000000, 0.0000040900000000, -0.0002282000000000 ] - [ -0.0000233400000000, -0.0000337800000000, -0.0005053700000000 ] - [ -0.0000935800000000, -0.0000040900000000, -0.0002282000000000 ] - [ -0.0000233400000000, 0.0000337800000000, -0.0005053700000000 ] - [ -0.0000886000000000, 0.0000000000000000, -0.0002147100000000 ] - [ -0.0000178400000000, 0.0000000000000000, -0.0003586400000000 ] - [ -0.0002388000000000, 0.0000115900000000, -0.0010090100000000 ] - [ -0.0005197000000000, 0.0001762700000000, -0.0011300200000000 ] - [ -0.0002388000000000, -0.0000115900000000, -0.0010090100000000 ] - [ -0.0005197000000000, -0.0001762700000000, -0.0011300200000000 ] - [ -0.0002781000000000, 0.0000000000000000, -0.0010085400000000 ] - [ -0.0003746800000000, 0.0000000000000000, -0.0010694200000000 ] - [ -0.0010421200000000, 0.0023270900000000, 0.0032925900000000 ] - [ 0.0003866600000000, -0.0000003900000000, 0.0001734600000000 ] - [ -0.0010421200000000, -0.0023270900000000, 0.0032925900000000 ] - [ 0.0003866600000000, 0.0000003900000000, 0.0001734600000000 ] - [ 0.0004994200000000, 0.0000000000000000, 0.0003628000000000 ] - [ 0.0003898100000000, 0.0000000000000000, 0.0001722000000000 ] - [ 0.0000374600000000, 0.0000000000000000, 0.0000799100000000 ] - [ -0.0001599600000000, 0.0000000000000000, 0.0000643600000000 ] - [ 0.0000358200000000, -0.0000065200000000, -0.0000026500000000 ] - [ 0.0000477400000000, -0.0000058900000000, -0.0000548800000000 ] - [ 0.0000358200000000, 0.0000065200000000, -0.0000026500000000 ] - [ 0.0000477400000000, 0.0000058900000000, -0.0000548800000000 ] - [ 0.0001737500000000, 0.0000000000000000, -0.0002791100000000 ] - [ -0.0004531900000000, 0.0000000000000000, 0.0001328300000000 ] - [ -0.0000324800000000, -0.0001819600000000, -0.0001482500000000 ] - [ -0.0004417600000000, -0.0000080600000000, 0.0001391000000000 ] - [ -0.0000324800000000, 0.0001819600000000, -0.0001482500000000 ] - [ -0.0004417600000000, 0.0000080600000000, 0.0001391000000000 ] - [ -0.0008505200000000, -0.0011656600000000, 0.0036320500000000 ] - [ -0.0003348700000000, 0.0000035500000000, 0.0010403800000000 ] - [ -0.0008505200000000, 0.0011656600000000, 0.0036320500000000 ] - [ -0.0003348700000000, -0.0000035500000000, 0.0010403800000000 ] - [ -0.0003188800000000, 0.0000000000000000, 0.0011513100000000 ] - [ -0.0003298100000000, 0.0000000000000000, 0.0010416800000000 ] - [ 0.0002224600000000, 0.0000000000000000, -0.0010538700000000 ] - [ 0.0005715400000000, 0.0000000000000000, -0.0011113400000000 ] - [ 0.0002582700000000, 0.0000089600000000, -0.0010433000000000 ] - [ 0.0004449100000000, 0.0000391500000000, -0.0010730900000000 ] - [ 0.0002582700000000, -0.0000089600000000, -0.0010433000000000 ] - [ 0.0004449100000000, -0.0000391500000000, -0.0010730900000000 ] - [ -0.0001804600000000, 0.0000000000000000, -0.0000606800000000 ] - [ 0.0003130200000000, 0.0000000000000000, 0.0010425500000000 ] - [ 0.0001609300000000, 0.0003962100000000, 0.0007889900000000 ] - [ 0.0003149200000000, -0.0000010400000000, 0.0010420200000000 ] - [ 0.0001609300000000, -0.0003962100000000, 0.0007889900000000 ] - [ 0.0003149200000000, 0.0000010400000000, 0.0010420200000000 ] - [ 0.0009112100000000, 0.0010348000000000, 0.0017221300000000 ] - [ -0.0000895000000000, 0.0000049600000000, 0.0001998200000000 ] - [ 0.0009112100000000, -0.0010348000000000, 0.0017221300000000 ] - [ -0.0000895000000000, -0.0000049600000000, 0.0001998200000000 ] - [ -0.0001169900000000, 0.0000000000000000, 0.0004680800000000 ] - [ -0.0000783900000000, 0.0000000000000000, 0.0001893600000000 ] - [ -0.0004134000000000, 0.0000000000000000, -0.0001344400000000 ] - [ 0.0009812200000000, 0.0000000000000000, 0.0013048200000000 ] - [ -0.0004114200000000, -0.0000029600000000, -0.0001374400000000 ] - [ -0.0005604900000000, -0.0001753800000000, 0.0001107200000000 ] - [ -0.0004114200000000, 0.0000029600000000, -0.0001374400000000 ] - [ -0.0005604900000000, 0.0001753800000000, 0.0001107200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001241700000000, 0.0000000000000000, 0.0189387000000000 ] - [ -0.0001504800000000, 0.0000000000000000, -0.0002147300000000 ] - [ -0.0001500200000000, -0.0000072900000000, 0.0010948900000000 ] - [ -0.0001472800000000, -0.0000019900000000, -0.0002159900000000 ] - [ -0.0001500200000000, 0.0000072900000000, 0.0010948900000000 ] - [ -0.0001472800000000, 0.0000019900000000, -0.0002159900000000 ] - [ 0.0001607500000000, -0.0000096000000000, -0.0012291600000000 ] - [ 0.0001380200000000, 0.0000022700000000, -0.0002535400000000 ] - [ 0.0001607500000000, 0.0000096000000000, -0.0012291600000000 ] - [ 0.0001380200000000, -0.0000022700000000, -0.0002535400000000 ] - [ 0.0001543100000000, 0.0000000000000000, -0.0007695800000000 ] - [ 0.0001388700000000, 0.0000000000000000, -0.0002515500000000 ] - [ 0.0000139800000000, 0.0000000000000000, 0.0000457800000000 ] - [ -0.0001616700000000, 0.0000000000000000, 0.0000452100000000 ] - [ -0.0000501500000000, -0.0000020100000000, 0.0001006700000000 ] - [ -0.0001424000000000, -0.0000194500000000, 0.0001002100000000 ] - [ -0.0000501500000000, 0.0000020100000000, 0.0001006700000000 ] - [ -0.0001424000000000, 0.0000194500000000, 0.0001002100000000 ] - [ -0.0001125600000000, 0.0000014600000000, -0.0000753200000000 ] - [ -0.0008112500000000, 0.0004619800000000, -0.0008109800000000 ] - [ -0.0001125600000000, -0.0000014600000000, -0.0000753200000000 ] - [ -0.0008112500000000, -0.0004619800000000, -0.0008109800000000 ] - [ -0.0001174000000000, 0.0000000000000000, -0.0000734700000000 ] - [ -0.0002974500000000, 0.0000000000000000, -0.0001367400000000 ] - [ -0.0007505600000000, 0.0000000000000000, -0.0002223300000000 ] - [ 0.0001613300000000, 0.0000000000000000, 0.0000138400000000 ] - [ -0.0002343100000000, 0.0001574500000000, -0.0001291400000000 ] - [ 0.0001521400000000, -0.0000012700000000, -0.0000169900000000 ] - [ -0.0002343100000000, -0.0001574500000000, -0.0001291400000000 ] - [ 0.0001521400000000, 0.0000012700000000, -0.0000169900000000 ] - [ 0.0000980400000000, -0.0000037500000000, 0.0002793700000000 ] - [ 0.0005917000000000, 0.0000388600000000, 0.0008754700000000 ] - [ 0.0000980400000000, 0.0000037500000000, 0.0002793700000000 ] - [ 0.0005917000000000, -0.0000388600000000, 0.0008754700000000 ] - [ 0.0001086800000000, 0.0000000000000000, 0.0002691800000000 ] - [ 0.0002544900000000, 0.0000000000000000, 0.0004624300000000 ] - [ 0.0007948400000000, 0.0000000000000000, -0.0013488300000000 ] - [ 0.0000798100000000, 0.0000000000000000, 0.0000519800000000 ] - [ 0.0003680600000000, 0.0002649700000000, -0.0005271700000000 ] - [ 0.0000849000000000, 0.0000009200000000, 0.0000549000000000 ] - [ 0.0003680600000000, -0.0002649700000000, -0.0005271700000000 ] - [ 0.0000849000000000, -0.0000009200000000, 0.0000549000000000 ] - [ 0.0005928200000000, 0.0002600700000000, 0.0005594100000000 ] - [ -0.0002109800000000, 0.0000288100000000, 0.0000733900000000 ] - [ 0.0005928200000000, -0.0002600700000000, 0.0005594100000000 ] - [ -0.0002109800000000, -0.0000288100000000, 0.0000733900000000 ] - [ 0.0000415300000000, 0.0000000000000000, 0.0003526400000000 ] - [ -0.0001621100000000, 0.0000000000000000, 0.0000736500000000 ] - [ 0.0012161800000000, 0.0000000000000000, -0.0025412700000000 ] - [ 0.0007486900000000, 0.0000000000000000, -0.0009045100000000 ] - [ 0.0009324500000000, -0.0008457600000000, -0.0015746100000000 ] - [ 0.0007558300000000, -0.0000025500000000, -0.0009018000000000 ] - [ 0.0009324500000000, 0.0008457600000000, -0.0015746100000000 ] - [ 0.0007558300000000, 0.0000025500000000, -0.0009018000000000 ] - [ -0.0008298500000000, -0.0000091700000000, 0.0008977700000000 ] - [ -0.0007557800000000, -0.0000421700000000, 0.0008091800000000 ] - [ -0.0008298500000000, 0.0000091700000000, 0.0008977700000000 ] - [ -0.0007557800000000, 0.0000421700000000, 0.0008091800000000 ] - [ -0.0008071100000000, 0.0000000000000000, 0.0008839400000000 ] - [ -0.0007496400000000, 0.0000000000000000, 0.0008301900000000 ] - [ 0.0007538600000000, 0.0000000000000000, 0.0009740000000000 ] - [ 0.0001439300000000, 0.0000000000000000, 0.0006995900000000 ] - [ 0.0007585900000000, -0.0000156900000000, 0.0009579400000000 ] - [ 0.0007044000000000, -0.0000668700000000, 0.0009574600000000 ] - [ 0.0007585900000000, 0.0000156900000000, 0.0009579400000000 ] - [ 0.0007044000000000, 0.0000668700000000, 0.0009574600000000 ] - [ -0.0018050500000000, -0.0019382900000000, -0.0023432600000000 ] - [ -0.0007853900000000, 0.0000004400000000, -0.0008966300000000 ] - [ -0.0018050500000000, 0.0019382900000000, -0.0023432600000000 ] - [ -0.0007853900000000, -0.0000004400000000, -0.0008966300000000 ] - [ -0.0007455400000000, 0.0000000000000000, -0.0006089700000000 ] - [ -0.0007820600000000, 0.0000000000000000, -0.0009064200000000 ] - [ 0.0005452600000000, 0.0000385600000000, 0.0000592800000000 ] - [ 0.0003451000000000, 0.0000060400000000, -0.0001076700000000 ] - [ 0.0005452600000000, -0.0000385600000000, 0.0000592800000000 ] - [ 0.0003451000000000, -0.0000060400000000, -0.0001076700000000 ] - [ 0.0004858000000000, 0.0000000000000000, -0.0000031600000000 ] - [ 0.0003492900000000, 0.0000000000000000, -0.0001147400000000 ] - [ 0.0002395900000000, 0.0000000000000000, 0.0011755500000000 ] - [ 0.0000756300000000, 0.0000000000000000, 0.0001779000000000 ] - [ 0.0001669700000000, 0.0001991800000000, 0.0007743600000000 ] - [ 0.0000717600000000, 0.0000009800000000, 0.0001739100000000 ] - [ 0.0001669700000000, -0.0001991800000000, 0.0007743600000000 ] - [ 0.0000717600000000, -0.0000009800000000, 0.0001739100000000 ] - [ -0.0000331400000000, -0.0000041100000000, -0.0000975100000000 ] - [ -0.0001058700000000, 0.0000344800000000, 0.0001780300000000 ] - [ -0.0000331400000000, 0.0000041100000000, -0.0000975100000000 ] - [ -0.0001058700000000, -0.0000344800000000, 0.0001780300000000 ] - [ -0.0000409300000000, 0.0000000000000000, -0.0001143600000000 ] - [ -0.0001106100000000, 0.0000000000000000, 0.0000309100000000 ] - [ -0.0003921800000000, -0.0000104400000000, -0.0010720500000000 ] - [ -0.0001112700000000, -0.0001767100000000, -0.0009490400000000 ] - [ -0.0003921800000000, 0.0000104400000000, -0.0010720500000000 ] - [ -0.0001112700000000, 0.0001767100000000, -0.0009490400000000 ] - [ -0.0003530200000000, 0.0000000000000000, -0.0010719300000000 ] - [ -0.0002564500000000, 0.0000000000000000, -0.0010101800000000 ] - [ 0.0019154000000000, -0.0024286900000000, -0.0030511900000000 ] - [ 0.0004272500000000, 0.0000005400000000, 0.0001565000000000 ] - [ 0.0019154000000000, 0.0024286900000000, -0.0030511900000000 ] - [ 0.0004272500000000, -0.0000005400000000, 0.0001565000000000 ] - [ 0.0003116100000000, 0.0000000000000000, -0.0000344100000000 ] - [ 0.0004237900000000, 0.0000000000000000, 0.0001574600000000 ] - [ 0.0000914100000000, 0.0000000000000000, -0.0004077500000000 ] - [ 0.0002907300000000, 0.0000000000000000, -0.0003935600000000 ] - [ 0.0000940100000000, 0.0000064000000000, -0.0003260700000000 ] - [ 0.0000828200000000, 0.0000060700000000, -0.0002749400000000 ] - [ 0.0000940100000000, -0.0000064000000000, -0.0003260700000000 ] - [ 0.0000828200000000, -0.0000060700000000, -0.0002749400000000 ] - [ -0.0009804700000000, 0.0000000000000000, 0.0006080200000000 ] - [ -0.0003585500000000, 0.0000000000000000, 0.0001968800000000 ] - [ -0.0007784200000000, 0.0001818500000000, 0.0004784800000000 ] - [ -0.0003693000000000, 0.0000081400000000, 0.0001906900000000 ] - [ -0.0007784200000000, -0.0001818500000000, 0.0004784800000000 ] - [ -0.0003693000000000, -0.0000081400000000, 0.0001906900000000 ] - [ 0.0001859700000000, 0.0010788900000000, -0.0014470200000000 ] - [ -0.0002968400000000, -0.0000037000000000, 0.0010432600000000 ] - [ 0.0001859700000000, -0.0010788900000000, -0.0014470200000000 ] - [ -0.0002968400000000, 0.0000037000000000, 0.0010432600000000 ] - [ -0.0003139000000000, 0.0000000000000000, 0.0009355500000000 ] - [ -0.0003020100000000, 0.0000000000000000, 0.0010425700000000 ] - [ 0.0004098800000000, 0.0000000000000000, -0.0010310100000000 ] - [ 0.0000601800000000, 0.0000000000000000, -0.0009730900000000 ] - [ 0.0003733500000000, -0.0000123900000000, -0.0010400500000000 ] - [ 0.0001876900000000, -0.0000395900000000, -0.0010111300000000 ] - [ 0.0003733500000000, 0.0000123900000000, -0.0010400500000000 ] - [ 0.0001876900000000, 0.0000395900000000, -0.0010111300000000 ] - [ 0.0008174100000000, 0.0000000000000000, 0.0021478300000000 ] - [ 0.0003190500000000, 0.0000000000000000, 0.0010406400000000 ] - [ 0.0004716000000000, -0.0003948500000000, 0.0012924700000000 ] - [ 0.0003172500000000, 0.0000016000000000, 0.0010415300000000 ] - [ 0.0004716000000000, 0.0003948500000000, 0.0012924700000000 ] - [ 0.0003172500000000, -0.0000016000000000, 0.0010415300000000 ] - [ -0.0010528200000000, -0.0010497900000000, -0.0013959000000000 ] - [ -0.0000406100000000, -0.0000046800000000, 0.0001291900000000 ] - [ -0.0010528200000000, 0.0010497900000000, -0.0013959000000000 ] - [ -0.0000406100000000, 0.0000046800000000, 0.0001291900000000 ] - [ -0.0000113700000000, 0.0000000000000000, -0.0001411600000000 ] - [ -0.0000514600000000, 0.0000000000000000, 0.0001392900000000 ] - [ -0.0004008300000000, 0.0000000000000000, -0.0001954100000000 ] - [ -0.0017532400000000, 0.0000000000000000, -0.0016230500000000 ] - [ -0.0004037900000000, 0.0000029600000000, -0.0001927600000000 ] - [ -0.0002548000000000, 0.0001756000000000, -0.0004391900000000 ] - [ -0.0004037900000000, -0.0000029600000000, -0.0001927600000000 ] - [ -0.0002548000000000, -0.0001756000000000, -0.0004391900000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001144700000000, 0.0000170300000000, -0.0002325300000000 ] - [ -0.0007234900000000, -0.0004237600000000, 0.0004690300000000 ] - [ 0.0000915800000000, 0.0000000000000000, -0.0002280000000000 ] - [ -0.0005551700000000, 0.0000000000000000, -0.0000469400000000 ] - [ 0.0001144700000000, -0.0000170300000000, -0.0002325300000000 ] - [ -0.0007234900000000, 0.0004237600000000, 0.0004690300000000 ] - [ 0.0003970600000000, 0.0000000000000000, -0.0001829800000000 ] - [ 0.0009644600000000, 0.0000000000000000, -0.0010917000000000 ] - [ 0.0003302700000000, 0.0000380400000000, -0.0001919100000000 ] - [ 0.0003572500000000, -0.0003380300000000, -0.0005789400000000 ] - [ 0.0003302700000000, -0.0000380400000000, -0.0001919100000000 ] - [ 0.0003572500000000, 0.0003380300000000, -0.0005789400000000 ] - [ 0.0006016100000000, 0.0007251100000000, 0.0009413200000000 ] - [ 0.0002032800000000, -0.0000306900000000, 0.0001341200000000 ] - [ -0.0001643200000000, 0.0000000000000000, 0.0003868000000000 ] - [ 0.0000946300000000, 0.0000000000000000, 0.0001822100000000 ] - [ 0.0006016100000000, -0.0007251100000000, 0.0009413200000000 ] - [ 0.0002032800000000, 0.0000306900000000, 0.0001341200000000 ] - [ -0.0226302400000000, 0.0000000000000000, 0.0029440200000000 ] - [ 0.0002310900000000, 0.0000000000000000, -0.0001000900000000 ] - [ -0.0016321400000000, 0.0000023600000000, 0.0003196100000000 ] - [ 0.0002040400000000, 0.0000023200000000, -0.0001010900000000 ] - [ -0.0016321400000000, -0.0000023600000000, 0.0003196100000000 ] - [ 0.0002040400000000, -0.0000023200000000, -0.0001010900000000 ] - [ 0.0003205100000000, 0.0000560300000000, -0.0001301400000000 ] - [ 0.0002452700000000, -0.0000419400000000, -0.0000486400000000 ] - [ 0.0002381700000000, 0.0000000000000000, -0.0000867300000000 ] - [ 0.0002047900000000, 0.0000000000000000, -0.0000565500000000 ] - [ 0.0003205100000000, -0.0000560300000000, -0.0001301400000000 ] - [ 0.0002452700000000, 0.0000419400000000, -0.0000486400000000 ] - [ -0.0002217200000000, 0.0000000000000000, -0.0004469400000000 ] - [ 0.0003757200000000, 0.0000000000000000, 0.0002654600000000 ] - [ -0.0001837400000000, 0.0002156900000000, -0.0000229100000000 ] - [ 0.0003596800000000, -0.0000111300000000, 0.0002602700000000 ] - [ -0.0001837400000000, -0.0002156900000000, -0.0000229100000000 ] - [ 0.0003596800000000, 0.0000111300000000, 0.0002602700000000 ] - [ 0.0004166900000000, -0.0000000600000000, 0.0000324100000000 ] - [ -0.0009012600000000, 0.0000908400000000, -0.0001898800000000 ] - [ 0.0004006900000000, 0.0000000000000000, 0.0000304700000000 ] - [ -0.0004454100000000, 0.0000000000000000, 0.0000121600000000 ] - [ 0.0004166900000000, 0.0000000600000000, 0.0000324100000000 ] - [ -0.0009012600000000, -0.0000908400000000, -0.0001898800000000 ] - [ 0.0006468000000000, 0.0000000000000000, -0.0001018400000000 ] - [ 0.0006450400000000, 0.0000000000000000, 0.0004046700000000 ] - [ 0.0001902400000000, 0.0001299600000000, 0.0000631700000000 ] - [ 0.0001899400000000, -0.0001370600000000, 0.0002757400000000 ] - [ 0.0001902400000000, -0.0001299600000000, 0.0000631700000000 ] - [ 0.0001899400000000, 0.0001370600000000, 0.0002757400000000 ] - [ 0.0009979000000000, 0.0000188600000000, -0.0009113100000000 ] - [ 0.0015709400000000, -0.0010365500000000, -0.0010287000000000 ] - [ 0.0009138400000000, 0.0000000000000000, -0.0008705400000000 ] - [ 0.0008035100000000, 0.0000000000000000, -0.0012250600000000 ] - [ 0.0009979000000000, -0.0000188600000000, -0.0009113100000000 ] - [ 0.0015709400000000, 0.0010365500000000, -0.0010287000000000 ] - [ -0.0004658000000000, 0.0000000000000000, 0.0012923200000000 ] - [ -0.0005857800000000, 0.0000000000000000, 0.0008870700000000 ] - [ -0.0008177200000000, 0.0000925200000000, 0.0008075100000000 ] - [ -0.0006215400000000, -0.0000080200000000, 0.0009060600000000 ] - [ -0.0008177200000000, -0.0000925200000000, 0.0008075100000000 ] - [ -0.0006215400000000, 0.0000080200000000, 0.0009060600000000 ] - [ 0.0007205500000000, 0.0011284400000000, 0.0001010400000000 ] - [ 0.0009458200000000, -0.0000244500000000, 0.0009179600000000 ] - [ 0.0004796400000000, 0.0000000000000000, 0.0005409100000000 ] - [ 0.0009264800000000, 0.0000000000000000, 0.0009335000000000 ] - [ 0.0007205500000000, -0.0011284400000000, 0.0001010400000000 ] - [ 0.0009458200000000, 0.0000244500000000, 0.0009179600000000 ] - [ -0.0005875200000000, 0.0000000000000000, -0.0009327400000000 ] - [ -0.0010827100000000, 0.0000000000000000, -0.0009163300000000 ] - [ -0.0006084400000000, 0.0000121000000000, -0.0009034300000000 ] - [ -0.0010099000000000, -0.0000668800000000, -0.0009843100000000 ] - [ -0.0006084400000000, -0.0000121000000000, -0.0009034300000000 ] - [ -0.0010099000000000, 0.0000668800000000, -0.0009843100000000 ] - [ 0.0002183400000000, 0.0000000000000000, -0.0003647100000000 ] - [ 0.0000974900000000, 0.0000000000000000, -0.0000223400000000 ] - [ 0.0003592600000000, -0.0001030600000000, -0.0002549300000000 ] - [ 0.0001841300000000, 0.0000300200000000, -0.0000703900000000 ] - [ 0.0003592600000000, 0.0001030600000000, -0.0002549300000000 ] - [ 0.0001841300000000, -0.0000300200000000, -0.0000703900000000 ] - [ -0.0002181800000000, -0.0000096600000000, 0.0001179000000000 ] - [ 0.0033731600000000, -0.0025980800000000, -0.0017785300000000 ] - [ -0.0001774000000000, 0.0000000000000000, 0.0001295400000000 ] - [ 0.0004845800000000, 0.0000000000000000, 0.0002629200000000 ] - [ -0.0002181800000000, 0.0000096600000000, 0.0001179000000000 ] - [ 0.0033731600000000, 0.0025980800000000, -0.0017785300000000 ] - [ 0.0018792400000000, 0.0000000000000000, 0.0014179300000000 ] - [ -0.0003288900000000, 0.0000000000000000, -0.0001581800000000 ] - [ 0.0004214300000000, -0.0002021300000000, -0.0002586800000000 ] - [ -0.0003060500000000, 0.0000113300000000, -0.0001660300000000 ] - [ 0.0004214300000000, 0.0002021300000000, -0.0002586800000000 ] - [ -0.0003060500000000, -0.0000113300000000, -0.0001660300000000 ] - [ 0.0055752600000000, 0.0000000000000000, -0.0019020600000000 ] - [ -0.0005787900000000, 0.0000000000000000, -0.0010686300000000 ] - [ -0.0001931100000000, -0.0004650600000000, -0.0009868500000000 ] - [ -0.0005165800000000, 0.0000341100000000, -0.0010718000000000 ] - [ -0.0001931100000000, 0.0004650600000000, -0.0009868500000000 ] - [ -0.0005165800000000, -0.0000341100000000, -0.0010718000000000 ] - [ 0.0001204200000000, 0.0000000000000000, 0.0001606200000000 ] - [ 0.0009939100000000, 0.0000000000000000, 0.0001792500000000 ] - [ 0.0001334600000000, -0.0000040100000000, 0.0001570500000000 ] - [ 0.0008894700000000, 0.0000219100000000, 0.0002034300000000 ] - [ 0.0001334600000000, 0.0000040100000000, 0.0001570500000000 ] - [ 0.0008894700000000, -0.0000219100000000, 0.0002034300000000 ] - [ -0.0001282300000000, -0.0002624600000000, 0.0003038100000000 ] - [ -0.0001930400000000, 0.0000457800000000, -0.0002219900000000 ] - [ 0.0000641200000000, 0.0000000000000000, -0.0000086800000000 ] - [ -0.0001409800000000, 0.0000000000000000, -0.0002013900000000 ] - [ -0.0001282300000000, 0.0002624600000000, 0.0003038100000000 ] - [ -0.0001930400000000, -0.0000457800000000, -0.0002219900000000 ] - [ -0.0008244600000000, -0.0000911800000000, 0.0001289000000000 ] - [ -0.0010583700000000, 0.0002540000000000, 0.0003037900000000 ] - [ -0.0006226000000000, 0.0000000000000000, 0.0001310900000000 ] - [ -0.0005554000000000, 0.0000000000000000, 0.0002109200000000 ] - [ -0.0008244600000000, 0.0000911800000000, 0.0001289000000000 ] - [ -0.0010583700000000, -0.0002540000000000, 0.0003037900000000 ] - [ -0.0005683300000000, 0.0000000000000000, 0.0010541100000000 ] - [ 0.0048717800000000, 0.0000000000000000, 0.0031519200000000 ] - [ -0.0005112700000000, -0.0000372200000000, 0.0010633700000000 ] - [ -0.0001562500000000, 0.0005120400000000, 0.0008338400000000 ] - [ -0.0005112700000000, 0.0000372200000000, 0.0010633700000000 ] - [ -0.0001562500000000, -0.0005120400000000, 0.0008338400000000 ] - [ 0.0004550600000000, -0.0002551000000000, -0.0010960500000000 ] - [ 0.0001475100000000, 0.0000140200000000, -0.0010287200000000 ] - [ 0.0004610700000000, 0.0000000000000000, -0.0010077200000000 ] - [ 0.0001630400000000, 0.0000000000000000, -0.0010276300000000 ] - [ 0.0004550600000000, 0.0002551000000000, -0.0010960500000000 ] - [ 0.0001475100000000, -0.0000140200000000, -0.0010287200000000 ] - [ 0.0001459700000000, -0.0000219700000000, 0.0010392300000000 ] - [ 0.0004486200000000, 0.0000796500000000, 0.0013113100000000 ] - [ 0.0001709500000000, 0.0000000000000000, 0.0010392500000000 ] - [ 0.0004729100000000, 0.0000000000000000, 0.0011753400000000 ] - [ 0.0001459700000000, 0.0000219700000000, 0.0010392300000000 ] - [ 0.0004486200000000, -0.0000796500000000, 0.0013113100000000 ] - [ -0.0003365700000000, 0.0000000000000000, 0.0002659300000000 ] - [ -0.0000592600000000, 0.0000000000000000, -0.0001635000000000 ] - [ -0.0002766100000000, -0.0000290800000000, 0.0002093100000000 ] - [ -0.0000169600000000, 0.0000559800000000, 0.0000692500000000 ] - [ -0.0002766100000000, 0.0000290800000000, 0.0002093100000000 ] - [ -0.0000169600000000, -0.0000559800000000, 0.0000692500000000 ] - [ 0.0010697200000000, 0.0005912900000000, -0.0007759900000000 ] - [ -0.0006983700000000, 0.0000046500000000, -0.0001832700000000 ] - [ 0.0001985200000000, 0.0000000000000000, -0.0001689800000000 ] - [ -0.0006792800000000, 0.0000000000000000, -0.0001829900000000 ] - [ 0.0010697200000000, -0.0005912900000000, -0.0007759900000000 ] - [ -0.0006983700000000, -0.0000046500000000, -0.0001832700000000 ]- atom: 19 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003864500000000, -0.0000169400000000, -0.0002260400000000 ] - [ 0.0004549200000000, 0.0004245300000000, -0.0009289100000000 ] - [ -0.0003635800000000, 0.0000000000000000, -0.0002308100000000 ] - [ 0.0002844700000000, 0.0000000000000000, -0.0004120600000000 ] - [ -0.0003864500000000, 0.0000169400000000, -0.0002260400000000 ] - [ 0.0004549200000000, -0.0004245300000000, -0.0009289100000000 ] - [ -0.0001252900000000, 0.0000000000000000, -0.0002743600000000 ] - [ -0.0006968700000000, 0.0000000000000000, 0.0006397800000000 ] - [ -0.0000584300000000, -0.0000379800000000, -0.0002655100000000 ] - [ -0.0000843900000000, 0.0003386100000000, 0.0001222200000000 ] - [ -0.0000584300000000, 0.0000379800000000, -0.0002655100000000 ] - [ -0.0000843900000000, -0.0003386100000000, 0.0001222200000000 ] - [ -0.0008694300000000, -0.0007208400000000, -0.0004767800000000 ] - [ -0.0004757900000000, 0.0000307700000000, 0.0003246000000000 ] - [ -0.0001081000000000, 0.0000000000000000, 0.0000723300000000 ] - [ -0.0003671200000000, 0.0000000000000000, 0.0002759400000000 ] - [ -0.0008694300000000, 0.0007208400000000, -0.0004767800000000 ] - [ -0.0004757900000000, -0.0000307700000000, 0.0003246000000000 ] - [ 0.0224637800000000, 0.0000000000000000, -0.0030767900000000 ] - [ -0.0004606000000000, 0.0000000000000000, -0.0000257300000000 ] - [ 0.0014034400000000, -0.0000126500000000, -0.0004457700000000 ] - [ -0.0004335200000000, -0.0000023000000000, -0.0000245800000000 ] - [ 0.0014034400000000, 0.0000126500000000, -0.0004457700000000 ] - [ -0.0004335200000000, 0.0000023000000000, -0.0000245800000000 ] - [ -0.0000912500000000, -0.0000561000000000, 0.0000038300000000 ] - [ -0.0000152500000000, 0.0000420100000000, -0.0000769700000000 ] - [ -0.0000086600000000, 0.0000000000000000, -0.0000392800000000 ] - [ 0.0000252400000000, 0.0000000000000000, -0.0000691900000000 ] - [ -0.0000912500000000, 0.0000561000000000, 0.0000038300000000 ] - [ -0.0000152500000000, -0.0000420100000000, -0.0000769700000000 ] - [ 0.0004905500000000, 0.0000000000000000, 0.0009052000000000 ] - [ -0.0001038000000000, 0.0000000000000000, 0.0001931900000000 ] - [ 0.0004544000000000, -0.0002164500000000, 0.0004818800000000 ] - [ -0.0000877900000000, 0.0000112300000000, 0.0001985200000000 ] - [ 0.0004544000000000, 0.0002164500000000, 0.0004818800000000 ] - [ -0.0000877900000000, -0.0000112300000000, 0.0001985200000000 ] - [ -0.0001874300000000, 0.0000001400000000, 0.0000940500000000 ] - [ 0.0011324500000000, -0.0000922800000000, 0.0003135200000000 ] - [ -0.0001715500000000, 0.0000000000000000, 0.0000959000000000 ] - [ 0.0006755500000000, 0.0000000000000000, 0.0001137400000000 ] - [ -0.0001874300000000, -0.0000001400000000, 0.0000940500000000 ] - [ 0.0011324500000000, 0.0000922800000000, 0.0003135200000000 ] - [ -0.0008746700000000, 0.0000000000000000, 0.0002272800000000 ] - [ -0.0008764600000000, 0.0000000000000000, -0.0002798800000000 ] - [ -0.0004197300000000, -0.0001296500000000, 0.0000627600000000 ] - [ -0.0004201400000000, 0.0001374300000000, -0.0001501900000000 ] - [ -0.0004197300000000, 0.0001296500000000, 0.0000627600000000 ] - [ -0.0004201400000000, -0.0001374300000000, -0.0001501900000000 ] - [ 0.0005395100000000, -0.0000183100000000, -0.0008974700000000 ] - [ -0.0000472500000000, 0.0010464000000000, -0.0007740400000000 ] - [ 0.0006233100000000, 0.0000000000000000, -0.0009319600000000 ] - [ 0.0007344800000000, 0.0000000000000000, -0.0005806100000000 ] - [ 0.0005395100000000, 0.0000183100000000, -0.0008974700000000 ] - [ -0.0000472500000000, -0.0010464000000000, -0.0007740400000000 ] - [ -0.0010754700000000, 0.0000000000000000, 0.0005046300000000 ] - [ -0.0009531300000000, 0.0000000000000000, 0.0009152200000000 ] - [ -0.0007198400000000, -0.0000928400000000, 0.0009968900000000 ] - [ -0.0009166000000000, 0.0000079800000000, 0.0008976600000000 ] - [ -0.0007198400000000, 0.0000928400000000, 0.0009968900000000 ] - [ -0.0009166000000000, -0.0000079800000000, 0.0008976600000000 ] - [ 0.0008177800000000, -0.0011198200000000, 0.0016885300000000 ] - [ 0.0005942100000000, 0.0000245200000000, 0.0008874200000000 ] - [ 0.0010586300000000, 0.0000000000000000, 0.0012602500000000 ] - [ 0.0006115600000000, 0.0000000000000000, 0.0008682500000000 ] - [ 0.0008177800000000, 0.0011198200000000, 0.0016885300000000 ] - [ 0.0005942100000000, -0.0000245200000000, 0.0008874200000000 ] - [ -0.0009511900000000, 0.0000000000000000, -0.0008659600000000 ] - [ -0.0004576400000000, 0.0000000000000000, -0.0008910200000000 ] - [ -0.0009303000000000, -0.0000121900000000, -0.0008972100000000 ] - [ -0.0005288900000000, 0.0000668200000000, -0.0008249300000000 ] - [ -0.0009303000000000, 0.0000121900000000, -0.0008972100000000 ] - [ -0.0005288900000000, -0.0000668200000000, -0.0008249300000000 ] - [ 0.0005945200000000, 0.0000000000000000, 0.0000350100000000 ] - [ 0.0007115900000000, 0.0000000000000000, -0.0003064800000000 ] - [ 0.0004530800000000, 0.0001027400000000, -0.0000750500000000 ] - [ 0.0006264700000000, -0.0000301200000000, -0.0002586500000000 ] - [ 0.0004530800000000, -0.0001027400000000, -0.0000750500000000 ] - [ 0.0006264700000000, 0.0000301200000000, -0.0002586500000000 ] - [ 0.0003466300000000, 0.0000097200000000, 0.0002093400000000 ] - [ -0.0033094200000000, 0.0026856500000000, 0.0021656500000000 ] - [ 0.0003081800000000, 0.0000000000000000, 0.0002006300000000 ] - [ -0.0003583300000000, 0.0000000000000000, 0.0000638000000000 ] - [ 0.0003466300000000, -0.0000097200000000, 0.0002093400000000 ] - [ -0.0033094200000000, -0.0026856500000000, 0.0021656500000000 ] - [ -0.0019810000000000, 0.0000000000000000, -0.0016853600000000 ] - [ 0.0002014300000000, 0.0000000000000000, -0.0001686100000000 ] - [ -0.0005497100000000, 0.0002024300000000, -0.0000698500000000 ] - [ 0.0001768200000000, -0.0000112900000000, -0.0001624300000000 ] - [ -0.0005497100000000, -0.0002024300000000, -0.0000698500000000 ] - [ 0.0001768200000000, 0.0000112900000000, -0.0001624300000000 ] - [ -0.0059098100000000, 0.0000000000000000, -0.0002469200000000 ] - [ -0.0000524500000000, 0.0000000000000000, -0.0010128900000000 ] - [ -0.0004372300000000, 0.0004665900000000, -0.0010943500000000 ] - [ -0.0001156500000000, -0.0000293500000000, -0.0010121500000000 ] - [ -0.0004372300000000, -0.0004665900000000, -0.0010943500000000 ] - [ -0.0001156500000000, 0.0000293500000000, -0.0010121500000000 ] - [ 0.0006872200000000, 0.0000000000000000, 0.0001678700000000 ] - [ -0.0001855800000000, 0.0000000000000000, 0.0001489500000000 ] - [ 0.0006753700000000, 0.0000040800000000, 0.0001717200000000 ] - [ -0.0000767800000000, -0.0000218300000000, 0.0001259100000000 ] - [ 0.0006753700000000, -0.0000040800000000, 0.0001717200000000 ] - [ -0.0000767800000000, 0.0000218300000000, 0.0001259100000000 ] - [ 0.0002618400000000, 0.0002613800000000, -0.0006342200000000 ] - [ 0.0003241700000000, -0.0000458300000000, -0.0001088400000000 ] - [ 0.0000669700000000, 0.0000000000000000, -0.0003202200000000 ] - [ 0.0002679100000000, 0.0000000000000000, -0.0001243200000000 ] - [ 0.0002618400000000, -0.0002613800000000, -0.0006342200000000 ] - [ 0.0003241700000000, 0.0000458300000000, -0.0001088400000000 ] - [ 0.0000147400000000, 0.0000911100000000, 0.0002001400000000 ] - [ 0.0002504600000000, -0.0002551300000000, 0.0000240000000000 ] - [ -0.0001901800000000, 0.0000000000000000, 0.0001989100000000 ] - [ -0.0002532000000000, 0.0000000000000000, 0.0001172300000000 ] - [ 0.0000147400000000, -0.0000911100000000, 0.0002001400000000 ] - [ 0.0002504600000000, 0.0002551300000000, 0.0000240000000000 ] - [ -0.0000643500000000, 0.0000000000000000, 0.0010328500000000 ] - [ -0.0057532300000000, 0.0000000000000000, -0.0011780100000000 ] - [ -0.0001211700000000, 0.0000344100000000, 0.0010223700000000 ] - [ -0.0004782500000000, -0.0005139900000000, 0.0012547800000000 ] - [ -0.0001211700000000, -0.0000344100000000, 0.0010223700000000 ] - [ -0.0004782500000000, 0.0005139900000000, 0.0012547800000000 ] - [ 0.0001782000000000, 0.0002561600000000, -0.0009873800000000 ] - [ 0.0004853600000000, -0.0000156600000000, -0.0010571200000000 ] - [ 0.0001715300000000, 0.0000000000000000, -0.0010768300000000 ] - [ 0.0004694500000000, 0.0000000000000000, -0.0010575600000000 ] - [ 0.0001782000000000, -0.0002561600000000, -0.0009873800000000 ] - [ 0.0004853600000000, 0.0000156600000000, -0.0010571200000000 ] - [ 0.0004881600000000, 0.0000208500000000, 0.0010497200000000 ] - [ 0.0001843900000000, -0.0000829800000000, 0.0007765200000000 ] - [ 0.0004628700000000, 0.0000000000000000, 0.0010491000000000 ] - [ 0.0001598700000000, 0.0000000000000000, 0.0009104000000000 ] - [ 0.0004881600000000, -0.0000208500000000, 0.0010497200000000 ] - [ 0.0001843900000000, 0.0000829800000000, 0.0007765200000000 ] - [ 0.0002109000000000, 0.0000000000000000, 0.0000593300000000 ] - [ -0.0000694300000000, 0.0000000000000000, 0.0004912200000000 ] - [ 0.0001498100000000, 0.0000290300000000, 0.0001173200000000 ] - [ -0.0001146600000000, -0.0000561600000000, 0.0002614800000000 ] - [ 0.0001498100000000, -0.0000290300000000, 0.0001173200000000 ] - [ -0.0001146600000000, 0.0000561600000000, 0.0002614800000000 ] - [ -0.0018843900000000, -0.0005941600000000, 0.0004509900000000 ] - [ -0.0001165400000000, -0.0000046800000000, -0.0001466300000000 ] - [ -0.0010108000000000, 0.0000000000000000, -0.0001607200000000 ] - [ -0.0001294100000000, 0.0000000000000000, -0.0001449900000000 ] - [ -0.0018843900000000, 0.0005941600000000, 0.0004509900000000 ] - [ -0.0001165400000000, 0.0000046800000000, -0.0001466300000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001271800000000, -0.0000086200000000, -0.0002304200000000 ] - [ -0.0005921500000000, -0.0000859100000000, -0.0006936200000000 ] - [ -0.0001357500000000, 0.0000171500000000, -0.0002289000000000 ] - [ -0.0001358700000000, 0.0002864800000000, -0.0002296500000000 ] - [ -0.0001444500000000, -0.0000085400000000, -0.0002274200000000 ] - [ 0.0003208500000000, -0.0000841700000000, 0.0002347900000000 ] - [ 0.0001355100000000, -0.0000297600000000, -0.0002286900000000 ] - [ 0.0001368600000000, -0.0006639200000000, -0.0002292200000000 ] - [ 0.0001612400000000, 0.0000148500000000, -0.0002300700000000 ] - [ -0.0001378200000000, 0.0003261900000000, -0.0000706800000000 ] - [ 0.0001102400000000, 0.0000150200000000, -0.0002274700000000 ] - [ 0.0004090600000000, 0.0003270600000000, -0.0003860300000000 ] - [ 0.0004071600000000, -0.0000674700000000, 0.0004892200000000 ] - [ -0.0002034800000000, -0.0000205800000000, 0.0002577300000000 ] - [ -0.0001350100000000, 0.0002831400000000, 0.0002290100000000 ] - [ -0.0001358300000000, 0.0000410100000000, 0.0002288000000000 ] - [ -0.0006783500000000, -0.0000634300000000, -0.0000313900000000 ] - [ -0.0000681200000000, -0.0000204800000000, 0.0001999000000000 ] - [ -0.0000397600000000, -0.0198373100000000, -0.0000238800000000 ] - [ -0.0001143600000000, -0.0000102400000000, -0.0000631400000000 ] - [ -0.0001219700000000, 0.0029765400000000, -0.0001105600000000 ] - [ -0.0001167300000000, 0.0000049700000000, -0.0000636200000000 ] - [ -0.0001069600000000, 0.0029484000000000, -0.0000164300000000 ] - [ -0.0001120200000000, 0.0000049600000000, -0.0000625800000000 ] - [ 0.0001701800000000, -0.0000321600000000, -0.0001085400000000 ] - [ 0.0000724000000000, -0.0000280100000000, -0.0000579000000000 ] - [ 0.0001144500000000, 0.0000638500000000, -0.0000631700000000 ] - [ 0.0001142700000000, 0.0000554700000000, -0.0000631500000000 ] - [ 0.0000581500000000, -0.0000317000000000, -0.0000178900000000 ] - [ 0.0001562900000000, -0.0000278600000000, -0.0000684300000000 ] - [ 0.0001353000000000, -0.0006856900000000, 0.0002298100000000 ] - [ 0.0001357200000000, -0.0000146200000000, 0.0002288200000000 ] - [ 0.0002857000000000, 0.0003376100000000, -0.0000361000000000 ] - [ 0.0001306000000000, 0.0000072000000000, 0.0002279900000000 ] - [ -0.0000141500000000, 0.0003388400000000, 0.0004931400000000 ] - [ 0.0001408000000000, 0.0000072100000000, 0.0002297700000000 ] - [ 0.0001141100000000, -0.0000048300000000, 0.0000645000000000 ] - [ 0.0002061500000000, -0.0000790600000000, 0.0007174300000000 ] - [ 0.0001142600000000, 0.0000095200000000, 0.0000630400000000 ] - [ 0.0001141500000000, 0.0002779500000000, 0.0000637300000000 ] - [ 0.0001144100000000, -0.0000047700000000, 0.0000617500000000 ] - [ 0.0000230900000000, -0.0000764800000000, -0.0005907200000000 ] - [ -0.0001150800000000, -0.0001492500000000, 0.0000634100000000 ] - [ -0.0001140700000000, -0.0001492400000000, 0.0000630600000000 ] - [ 0.0000231500000000, 0.0000764500000000, 0.0000567900000000 ] - [ -0.0002445800000000, 0.0000765500000000, 0.0000042500000000 ] - [ -0.0002512600000000, 0.0000769200000000, 0.0000692700000000 ] - [ 0.0000151300000000, 0.0000768300000000, 0.0001216500000000 ] - [ 0.0007999300000000, 0.0000064800000000, -0.0009181700000000 ] - [ 0.0000746700000000, -0.0001996800000000, -0.0017115100000000 ] - [ 0.0007703300000000, 0.0000289100000000, -0.0009049100000000 ] - [ 0.0007695700000000, 0.0004627000000000, -0.0009038500000000 ] - [ 0.0007404700000000, 0.0000063200000000, -0.0008917600000000 ] - [ 0.0014605700000000, -0.0001986900000000, -0.0000993800000000 ] - [ -0.0007725400000000, -0.0000838800000000, 0.0009028800000000 ] - [ -0.0007703000000000, -0.0000261600000000, 0.0009026400000000 ] - [ -0.0006509000000000, 0.0000393900000000, 0.0011153800000000 ] - [ -0.0007947400000000, -0.0000078000000000, 0.0009192100000000 ] - [ -0.0008893000000000, 0.0000402600000000, 0.0006969600000000 ] - [ -0.0007453700000000, -0.0000076700000000, 0.0008920100000000 ] - [ 0.0017688800000000, -0.0002113600000000, 0.0012190200000000 ] - [ 0.0007652700000000, -0.0000269300000000, 0.0009148500000000 ] - [ 0.0007719000000000, 0.0004133100000000, 0.0009047200000000 ] - [ 0.0007713400000000, 0.0000119500000000, 0.0009050300000000 ] - [ -0.0002215600000000, -0.0002075500000000, 0.0005910400000000 ] - [ 0.0007775200000000, -0.0000267900000000, 0.0008939000000000 ] - [ -0.0007715900000000, 0.0000008100000000, -0.0009046000000000 ] - [ -0.0007717000000000, -0.0001445900000000, -0.0009047000000000 ] - [ -0.0007623700000000, 0.0000203500000000, -0.0009201500000000 ] - [ -0.0008154700000000, 0.0000928300000000, -0.0009503900000000 ] - [ -0.0007796500000000, 0.0000205900000000, -0.0008875500000000 ] - [ -0.0007270000000000, 0.0000932200000000, -0.0008595700000000 ] - [ 0.0004085700000000, 0.0000927000000000, -0.0001646800000000 ] - [ 0.0004068100000000, 0.0000410700000000, -0.0001648800000000 ] - [ 0.0003302300000000, -0.0000492700000000, -0.0002066000000000 ] - [ 0.0004646300000000, -0.0000206900000000, -0.0001951100000000 ] - [ 0.0004848100000000, -0.0000497900000000, -0.0001235900000000 ] - [ 0.0003505900000000, -0.0000206700000000, -0.0001349000000000 ] - [ 0.0000550900000000, 0.0000058000000000, 0.0001635400000000 ] - [ -0.0025803600000000, 0.0037353700000000, 0.0027965600000000 ] - [ 0.0000654700000000, -0.0000113900000000, 0.0001651200000000 ] - [ 0.0000682100000000, -0.0006015800000000, 0.0001647900000000 ] - [ 0.0000746600000000, 0.0000055900000000, 0.0001653600000000 ] - [ 0.0026031600000000, 0.0036530800000000, -0.0023831700000000 ] - [ -0.0000681100000000, 0.0005614900000000, -0.0001700100000000 ] - [ -0.0000640900000000, 0.0000186900000000, -0.0001637200000000 ] - [ -0.0003531800000000, -0.0003381000000000, -0.0006103500000000 ] - [ -0.0000520200000000, -0.0000093800000000, -0.0001679800000000 ] - [ 0.0002195500000000, -0.0003377400000000, 0.0002754800000000 ] - [ -0.0000781800000000, -0.0000094200000000, -0.0001616600000000 ] - [ -0.0003249500000000, 0.0010595100000000, -0.0010432400000000 ] - [ -0.0003161600000000, 0.0000394700000000, -0.0010433900000000 ] - [ -0.0006544200000000, -0.0004334300000000, -0.0010513000000000 ] - [ -0.0002897300000000, -0.0000201500000000, -0.0010385000000000 ] - [ 0.0000197700000000, -0.0004338300000000, -0.0010340700000000 ] - [ -0.0003424100000000, -0.0000190700000000, -0.0010474700000000 ] - [ 0.0004070700000000, 0.0000072400000000, 0.0001646700000000 ] - [ 0.0004076400000000, 0.0002525200000000, 0.0001650500000000 ] - [ 0.0004020000000000, -0.0000036000000000, 0.0001663900000000 ] - [ 0.0004841200000000, -0.0001263100000000, 0.0002289600000000 ] - [ 0.0004114000000000, -0.0000036900000000, 0.0001629600000000 ] - [ 0.0003306000000000, -0.0001269000000000, 0.0001006000000000 ] - [ -0.0002616800000000, 0.0001098400000000, -0.0000729000000000 ] - [ 0.0000876200000000, 0.0000191200000000, -0.0001606500000000 ] - [ 0.0000650200000000, -0.0001897000000000, -0.0001645700000000 ] - [ 0.0000655300000000, -0.0000386300000000, -0.0001651400000000 ] - [ 0.0003923700000000, 0.0001087600000000, -0.0002579900000000 ] - [ 0.0000417900000000, 0.0000189700000000, -0.0001679500000000 ] - [ -0.0004727300000000, 0.0000291500000000, 0.0001698100000000 ] - [ -0.0000737100000000, 0.0001090900000000, 0.0002647000000000 ] - [ -0.0004078800000000, -0.0000560600000000, 0.0001649800000000 ] - [ -0.0004081600000000, -0.0001873800000000, 0.0001649500000000 ] - [ -0.0003407700000000, 0.0000286300000000, 0.0001600300000000 ] - [ -0.0007407600000000, 0.0001084900000000, 0.0000651800000000 ] - [ -0.0003157500000000, 0.0000250400000000, 0.0010435400000000 ] - [ -0.0003037500000000, 0.0011156200000000, 0.0010510400000000 ] - [ -0.0003325300000000, -0.0000129400000000, 0.0010395100000000 ] - [ -0.0000334900000000, -0.0004545900000000, 0.0012187700000000 ] - [ -0.0002990300000000, -0.0000120400000000, 0.0010469600000000 ] - [ -0.0005956400000000, -0.0004517000000000, 0.0008685800000000 ] - [ 0.0002551700000000, 0.0001553400000000, -0.0010102000000000 ] - [ 0.0003251200000000, 0.0000123000000000, -0.0010445000000000 ] - [ 0.0003158200000000, -0.0002677100000000, -0.0010435100000000 ] - [ 0.0003155700000000, -0.0000257400000000, -0.0010431400000000 ] - [ 0.0003770700000000, 0.0001528100000000, -0.0010749100000000 ] - [ 0.0003059600000000, 0.0000135300000000, -0.0010426300000000 ] - [ 0.0003025300000000, 0.0000118800000000, 0.0010440900000000 ] - [ 0.0004033400000000, 0.0000829400000000, 0.0008898500000000 ] - [ 0.0003160700000000, -0.0000236600000000, 0.0010429800000000 ] - [ 0.0003159900000000, -0.0001677900000000, 0.0010426700000000 ] - [ 0.0003296400000000, 0.0000117300000000, 0.0010423000000000 ] - [ 0.0002278400000000, 0.0000820800000000, 0.0011961100000000 ] - [ -0.0000646000000000, 0.0000397200000000, 0.0001642200000000 ] - [ -0.0000653600000000, 0.0001283100000000, 0.0001648600000000 ] - [ -0.0000972300000000, -0.0000196700000000, 0.0001839700000000 ] - [ -0.0000004900000000, -0.0000653300000000, 0.0002162700000000 ] - [ -0.0000320100000000, -0.0000198000000000, 0.0001445500000000 ] - [ -0.0001297800000000, -0.0000655600000000, 0.0001136700000000 ] - [ 0.0001721500000000, 0.0034711300000000, -0.0035493000000000 ] - [ -0.0004049000000000, 0.0000051800000000, -0.0001657100000000 ] - [ -0.0004085000000000, -0.0005900600000000, -0.0001627800000000 ] - [ -0.0004075100000000, -0.0000104700000000, -0.0001648200000000 ] - [ -0.0009530200000000, 0.0033944400000000, 0.0030964700000000 ] - [ -0.0004083400000000, 0.0000051300000000, -0.0001635200000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001792500000000, -0.0000018900000000, -0.0002162900000000 ] - [ 0.0006775500000000, -0.0004548900000000, 0.0005194300000000 ] - [ -0.0001747400000000, 0.0000000000000000, -0.0002181900000000 ] - [ 0.0000343800000000, 0.0000000000000000, -0.0001545800000000 ] - [ -0.0001792500000000, 0.0000018900000000, -0.0002162900000000 ] - [ 0.0006775500000000, 0.0004548900000000, 0.0005194300000000 ] - [ 0.0002159100000000, 0.0000000000000000, -0.0003055800000000 ] - [ -0.0006610900000000, 0.0000000000000000, -0.0000683400000000 ] - [ 0.0001612600000000, 0.0000112800000000, -0.0002746400000000 ] - [ -0.0001320600000000, 0.0002019800000000, -0.0001622900000000 ] - [ 0.0001612600000000, -0.0000112800000000, -0.0002746400000000 ] - [ -0.0001320600000000, -0.0002019800000000, -0.0001622900000000 ] - [ 0.0005758800000000, 0.0003928200000000, -0.0002713000000000 ] - [ -0.0001874900000000, 0.0000065700000000, 0.0002185300000000 ] - [ -0.0000368900000000, 0.0000000000000000, -0.0000617700000000 ] - [ -0.0001734900000000, 0.0000000000000000, 0.0002181900000000 ] - [ 0.0005758800000000, -0.0003928200000000, -0.0002713000000000 ] - [ -0.0001874900000000, -0.0000065700000000, 0.0002185300000000 ] - [ 0.0028709100000000, 0.0000000000000000, -0.0207562100000000 ] - [ -0.0001511300000000, 0.0000000000000000, -0.0000700800000000 ] - [ 0.0002679600000000, 0.0000426700000000, -0.0012911800000000 ] - [ -0.0001523000000000, 0.0000004400000000, -0.0000674000000000 ] - [ 0.0002679600000000, -0.0000426700000000, -0.0012911800000000 ] - [ -0.0001523000000000, -0.0000004400000000, -0.0000674000000000 ] - [ 0.0001814700000000, 0.0000454900000000, 0.0002095600000000 ] - [ 0.0000997900000000, -0.0000052900000000, 0.0000078800000000 ] - [ 0.0001380500000000, 0.0000000000000000, 0.0000847600000000 ] - [ 0.0001077100000000, 0.0000000000000000, -0.0000205400000000 ] - [ 0.0001814700000000, -0.0000454900000000, 0.0002095600000000 ] - [ 0.0000997900000000, 0.0000052900000000, 0.0000078800000000 ] - [ -0.0004540700000000, 0.0000000000000000, 0.0016348900000000 ] - [ 0.0001187900000000, 0.0000000000000000, 0.0002398000000000 ] - [ -0.0000185300000000, -0.0003011800000000, 0.0008201100000000 ] - [ 0.0001165700000000, -0.0000012900000000, 0.0002373000000000 ] - [ -0.0000185300000000, 0.0003011800000000, 0.0008201100000000 ] - [ 0.0001165700000000, 0.0000012900000000, 0.0002373000000000 ] - [ 0.0000832500000000, 0.0000014100000000, 0.0000664900000000 ] - [ -0.0001390200000000, 0.0006576700000000, 0.0013783200000000 ] - [ 0.0000813000000000, 0.0000000000000000, 0.0000651900000000 ] - [ 0.0000627900000000, 0.0000000000000000, 0.0002500600000000 ] - [ 0.0000832500000000, -0.0000014100000000, 0.0000664900000000 ] - [ -0.0001390200000000, -0.0006576700000000, 0.0013783200000000 ] - [ -0.0004565000000000, 0.0000000000000000, 0.0000246800000000 ] - [ 0.0000513700000000, 0.0000000000000000, 0.0000248800000000 ] - [ -0.0003268500000000, -0.0000586400000000, 0.0000151300000000 ] - [ -0.0001139700000000, -0.0000064200000000, 0.0000153800000000 ] - [ -0.0003268500000000, 0.0000586400000000, 0.0000151300000000 ] - [ -0.0001139700000000, 0.0000064200000000, 0.0000153800000000 ] - [ 0.0007491900000000, -0.0000005100000000, -0.0009121200000000 ] - [ 0.0003616800000000, -0.0004380600000000, -0.0019308600000000 ] - [ 0.0007385900000000, 0.0000000000000000, -0.0009071500000000 ] - [ 0.0007416700000000, 0.0000000000000000, -0.0010361600000000 ] - [ 0.0007491900000000, 0.0000005100000000, -0.0009121200000000 ] - [ 0.0003616800000000, 0.0004380600000000, -0.0019308600000000 ] - [ -0.0000225000000000, 0.0000000000000000, 0.0019481400000000 ] - [ -0.0008191200000000, 0.0000000000000000, 0.0009099800000000 ] - [ -0.0006432800000000, 0.0001053000000000, 0.0009600800000000 ] - [ -0.0008032200000000, 0.0000016000000000, 0.0009047300000000 ] - [ -0.0006432800000000, -0.0001053000000000, 0.0009600800000000 ] - [ -0.0008032200000000, -0.0000016000000000, 0.0009047300000000 ] - [ -0.0003275400000000, -0.0002001800000000, 0.0008224400000000 ] - [ 0.0007573000000000, -0.0000023300000000, 0.0008910200000000 ] - [ 0.0007432300000000, 0.0000000000000000, 0.0010319100000000 ] - [ 0.0007542000000000, 0.0000000000000000, 0.0008948000000000 ] - [ -0.0003275400000000, 0.0002001800000000, 0.0008224400000000 ] - [ 0.0007573000000000, 0.0000023300000000, 0.0008910200000000 ] - [ -0.0008003000000000, 0.0000000000000000, -0.0008623800000000 ] - [ -0.0006779500000000, 0.0000000000000000, -0.0007699900000000 ] - [ -0.0007962600000000, 0.0000071500000000, -0.0008697900000000 ] - [ -0.0007141800000000, 0.0000516300000000, -0.0008158000000000 ] - [ -0.0007962600000000, -0.0000071500000000, -0.0008697900000000 ] - [ -0.0007141800000000, -0.0000516300000000, -0.0008158000000000 ] - [ -0.0001344200000000, 0.0000000000000000, -0.0003000200000000 ] - [ 0.0005220900000000, 0.0000000000000000, -0.0002151700000000 ] - [ 0.0002898100000000, -0.0000613900000000, -0.0001822300000000 ] - [ 0.0004793200000000, -0.0000046400000000, -0.0001943900000000 ] - [ 0.0002898100000000, 0.0000613900000000, -0.0001822300000000 ] - [ 0.0004793200000000, 0.0000046400000000, -0.0001943900000000 ] - [ 0.0000956400000000, -0.0000051500000000, 0.0001949900000000 ] - [ -0.0015193200000000, 0.0021148200000000, 0.0027982700000000 ] - [ 0.0001022400000000, 0.0000000000000000, 0.0001914500000000 ] - [ 0.0000403700000000, 0.0000000000000000, 0.0003629800000000 ] - [ 0.0000956400000000, 0.0000051500000000, 0.0001949900000000 ] - [ -0.0015193200000000, -0.0021148200000000, 0.0027982700000000 ] - [ 0.0012955300000000, 0.0000000000000000, 0.0033685600000000 ] - [ -0.0000312100000000, 0.0000000000000000, -0.0001593800000000 ] - [ -0.0003176600000000, -0.0003797500000000, -0.0002281800000000 ] - [ -0.0000362600000000, -0.0000018400000000, -0.0001615600000000 ] - [ -0.0003176600000000, 0.0003797500000000, -0.0002281800000000 ] - [ -0.0000362600000000, 0.0000018400000000, -0.0001615600000000 ] - [ -0.0011978700000000, 0.0000000000000000, -0.0001541500000000 ] - [ -0.0003065800000000, 0.0000000000000000, -0.0010176300000000 ] - [ -0.0001283000000000, 0.0002936400000000, -0.0006968100000000 ] - [ -0.0002961700000000, -0.0000001700000000, -0.0010257200000000 ] - [ -0.0001283000000000, -0.0002936400000000, -0.0006968100000000 ] - [ -0.0002961700000000, 0.0000001700000000, -0.0010257200000000 ] - [ 0.0004429900000000, 0.0000000000000000, 0.0001484700000000 ] - [ 0.0003180400000000, 0.0000000000000000, -0.0005698400000000 ] - [ 0.0004396600000000, -0.0000016400000000, 0.0001499300000000 ] - [ 0.0003432300000000, 0.0000005900000000, -0.0002183500000000 ] - [ 0.0004396600000000, 0.0000016400000000, 0.0001499300000000 ] - [ 0.0003432300000000, -0.0000005900000000, -0.0002183500000000 ] - [ 0.0005324100000000, 0.0000714800000000, -0.0004451200000000 ] - [ 0.0000675300000000, 0.0000130100000000, -0.0001737100000000 ] - [ 0.0001681200000000, 0.0000000000000000, -0.0002670600000000 ] - [ 0.0000823100000000, 0.0000000000000000, -0.0001668200000000 ] - [ 0.0005324100000000, -0.0000714800000000, -0.0004451200000000 ] - [ 0.0000675300000000, -0.0000130100000000, -0.0001737100000000 ] - [ -0.0003759100000000, 0.0000117800000000, 0.0003056100000000 ] - [ -0.0002684900000000, 0.0000732800000000, 0.0004546700000000 ] - [ -0.0003536500000000, 0.0000000000000000, 0.0002502300000000 ] - [ -0.0004078300000000, 0.0000000000000000, 0.0002674300000000 ] - [ -0.0003759100000000, -0.0000117800000000, 0.0003056100000000 ] - [ -0.0002684900000000, -0.0000732800000000, 0.0004546700000000 ] - [ -0.0002707400000000, 0.0000000000000000, 0.0010581300000000 ] - [ 0.0017320800000000, 0.0000000000000000, 0.0028423400000000 ] - [ -0.0002769700000000, -0.0000044500000000, 0.0010492700000000 ] - [ -0.0004129400000000, -0.0000192900000000, 0.0013996800000000 ] - [ -0.0002769700000000, 0.0000044500000000, 0.0010492700000000 ] - [ -0.0004129400000000, 0.0000192900000000, 0.0013996800000000 ] - [ 0.0001897200000000, -0.0003283300000000, -0.0015999200000000 ] - [ 0.0003444700000000, -0.0000055800000000, -0.0010552100000000 ] - [ 0.0003013000000000, 0.0000000000000000, -0.0012828600000000 ] - [ 0.0003405100000000, 0.0000000000000000, -0.0010518800000000 ] - [ 0.0001897200000000, 0.0003283300000000, -0.0015999200000000 ] - [ 0.0003444700000000, 0.0000055800000000, -0.0010552100000000 ] - [ 0.0003067500000000, -0.0000095200000000, 0.0010099900000000 ] - [ 0.0003937800000000, -0.0000114200000000, 0.0007735200000000 ] - [ 0.0003190400000000, 0.0000000000000000, 0.0010187500000000 ] - [ 0.0002999100000000, 0.0000000000000000, 0.0009291100000000 ] - [ 0.0003067500000000, 0.0000095200000000, 0.0010099900000000 ] - [ 0.0003937800000000, 0.0000114200000000, 0.0007735200000000 ] - [ 0.0000011700000000, 0.0000000000000000, 0.0000700400000000 ] - [ -0.0001811900000000, 0.0000000000000000, -0.0000489100000000 ] - [ -0.0000165300000000, 0.0000040700000000, 0.0000976100000000 ] - [ -0.0001286100000000, 0.0000455100000000, 0.0000670200000000 ] - [ -0.0000165300000000, -0.0000040700000000, 0.0000976100000000 ] - [ -0.0001286100000000, -0.0000455100000000, 0.0000670200000000 ] - [ -0.0010410900000000, -0.0030540800000000, 0.0040239000000000 ] - [ -0.0003817400000000, 0.0000004000000000, -0.0001616700000000 ] - [ -0.0004950700000000, 0.0000000000000000, -0.0000808300000000 ] - [ -0.0003787800000000, 0.0000000000000000, -0.0001618700000000 ] - [ -0.0010410900000000, 0.0030540800000000, 0.0040239000000000 ] - [ -0.0003817400000000, -0.0000004000000000, -0.0001616700000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000926500000000, 0.0000020100000000, -0.0002419600000000 ] - [ -0.0009553500000000, 0.0004589200000000, -0.0009800200000000 ] - [ -0.0000972200000000, 0.0000000000000000, -0.0002404500000000 ] - [ -0.0003067600000000, 0.0000000000000000, -0.0003025600000000 ] - [ -0.0000926500000000, -0.0000020100000000, -0.0002419600000000 ] - [ -0.0009553500000000, -0.0004589200000000, -0.0009800200000000 ] - [ 0.0000568000000000, 0.0000000000000000, -0.0001525900000000 ] - [ 0.0009311100000000, 0.0000000000000000, -0.0003914900000000 ] - [ 0.0001113900000000, -0.0000112600000000, -0.0001832300000000 ] - [ 0.0004047400000000, -0.0002023700000000, -0.0002967100000000 ] - [ 0.0001113900000000, 0.0000112600000000, -0.0001832300000000 ] - [ 0.0004047400000000, 0.0002023700000000, -0.0002967100000000 ] - [ -0.0008466200000000, -0.0003919700000000, 0.0007265600000000 ] - [ -0.0000842600000000, -0.0000067600000000, 0.0002392400000000 ] - [ -0.0002350000000000, 0.0000000000000000, 0.0005191000000000 ] - [ -0.0000988200000000, 0.0000000000000000, 0.0002392200000000 ] - [ -0.0008466200000000, 0.0003919700000000, 0.0007265600000000 ] - [ -0.0000842600000000, 0.0000067600000000, 0.0002392400000000 ] - [ -0.0031519300000000, 0.0000000000000000, 0.0206666300000000 ] - [ -0.0000774600000000, 0.0000000000000000, -0.0000551700000000 ] - [ -0.0004982100000000, -0.0000514100000000, 0.0011666800000000 ] - [ -0.0000762900000000, -0.0000004900000000, -0.0000576700000000 ] - [ -0.0004982100000000, 0.0000514100000000, 0.0011666800000000 ] - [ -0.0000762900000000, 0.0000004900000000, -0.0000576700000000 ] - [ 0.0000485000000000, -0.0000453200000000, -0.0003342400000000 ] - [ 0.0001290000000000, 0.0000052100000000, -0.0001328200000000 ] - [ 0.0000918100000000, 0.0000000000000000, -0.0002094500000000 ] - [ 0.0001212800000000, 0.0000000000000000, -0.0001045400000000 ] - [ 0.0000485000000000, 0.0000453200000000, -0.0003342400000000 ] - [ 0.0001290000000000, -0.0000052100000000, -0.0001328200000000 ] - [ 0.0007325600000000, 0.0000000000000000, -0.0011841200000000 ] - [ 0.0001539600000000, 0.0000000000000000, 0.0002180500000000 ] - [ 0.0002909000000000, 0.0003020300000000, -0.0003615700000000 ] - [ 0.0001558300000000, 0.0000013500000000, 0.0002213200000000 ] - [ 0.0002909000000000, -0.0003020300000000, -0.0003615700000000 ] - [ 0.0001558300000000, -0.0000013500000000, 0.0002213200000000 ] - [ 0.0001460800000000, -0.0000014000000000, 0.0000587200000000 ] - [ 0.0003657500000000, -0.0006505200000000, -0.0012443500000000 ] - [ 0.0001477500000000, 0.0000000000000000, 0.0000599400000000 ] - [ 0.0001655000000000, 0.0000000000000000, -0.0001254100000000 ] - [ 0.0001460800000000, 0.0000014000000000, 0.0000587200000000 ] - [ 0.0003657500000000, 0.0006505200000000, -0.0012443500000000 ] - [ 0.0002266600000000, 0.0000000000000000, 0.0001009200000000 ] - [ -0.0002788300000000, 0.0000000000000000, 0.0001011000000000 ] - [ 0.0000976900000000, 0.0000586600000000, 0.0001100100000000 ] - [ -0.0001147700000000, 0.0000061300000000, 0.0001103500000000 ] - [ 0.0000976900000000, -0.0000586600000000, 0.0001100100000000 ] - [ -0.0001147700000000, -0.0000061300000000, 0.0001103500000000 ] - [ 0.0007892400000000, 0.0000007100000000, -0.0008960400000000 ] - [ 0.0011771600000000, 0.0004357900000000, 0.0001183500000000 ] - [ 0.0008003600000000, 0.0000000000000000, -0.0008967800000000 ] - [ 0.0007959600000000, 0.0000000000000000, -0.0007656000000000 ] - [ 0.0007892400000000, -0.0000007100000000, -0.0008960400000000 ] - [ 0.0011771600000000, -0.0004357900000000, 0.0001183500000000 ] - [ -0.0015185600000000, 0.0000000000000000, -0.0001455900000000 ] - [ -0.0007184500000000, 0.0000000000000000, 0.0008960300000000 ] - [ -0.0008946600000000, -0.0001045300000000, 0.0008451100000000 ] - [ -0.0007361700000000, -0.0000014200000000, 0.0009007200000000 ] - [ -0.0008946600000000, 0.0001045300000000, 0.0008451100000000 ] - [ -0.0007361700000000, 0.0000014200000000, 0.0009007200000000 ] - [ 0.0018721000000000, 0.0001977200000000, 0.0009880800000000 ] - [ 0.0007826400000000, 0.0000021100000000, 0.0009122800000000 ] - [ 0.0007966400000000, 0.0000000000000000, 0.0007781200000000 ] - [ 0.0007858600000000, 0.0000000000000000, 0.0009131200000000 ] - [ 0.0018721000000000, -0.0001977200000000, 0.0009880800000000 ] - [ 0.0007826400000000, -0.0000021100000000, 0.0009122800000000 ] - [ -0.0007406200000000, 0.0000000000000000, -0.0009434500000000 ] - [ -0.0008635300000000, 0.0000000000000000, -0.0010384600000000 ] - [ -0.0007442000000000, -0.0000071300000000, -0.0009361200000000 ] - [ -0.0008267600000000, -0.0000512400000000, -0.0009910300000000 ] - [ -0.0007442000000000, 0.0000071300000000, -0.0009361200000000 ] - [ -0.0008267600000000, 0.0000512400000000, -0.0009910300000000 ] - [ 0.0009444700000000, 0.0000000000000000, -0.0000277800000000 ] - [ 0.0002884700000000, 0.0000000000000000, -0.0001122400000000 ] - [ 0.0005231700000000, 0.0000611700000000, -0.0001465600000000 ] - [ 0.0003355700000000, 0.0000046900000000, -0.0001343000000000 ] - [ 0.0005231700000000, -0.0000611700000000, -0.0001465600000000 ] - [ 0.0003355700000000, -0.0000046900000000, -0.0001343000000000 ] - [ 0.0000355600000000, 0.0000052100000000, 0.0001340800000000 ] - [ 0.0015983400000000, -0.0020602900000000, -0.0024432000000000 ] - [ 0.0000314400000000, 0.0000000000000000, 0.0001409300000000 ] - [ 0.0000896000000000, 0.0000000000000000, -0.0000345000000000 ] - [ 0.0000355600000000, -0.0000052100000000, 0.0001340800000000 ] - [ 0.0015983400000000, 0.0020602900000000, -0.0024432000000000 ] - [ -0.0013084300000000, 0.0000000000000000, -0.0035063900000000 ] - [ -0.0000998100000000, 0.0000000000000000, -0.0001691200000000 ] - [ 0.0001844100000000, 0.0003777900000000, -0.0001021900000000 ] - [ -0.0000979600000000, 0.0000019600000000, -0.0001706700000000 ] - [ 0.0001844100000000, -0.0003777900000000, -0.0001021900000000 ] - [ -0.0000979600000000, -0.0000019600000000, -0.0001706700000000 ] - [ 0.0005576300000000, 0.0000000000000000, -0.0019218200000000 ] - [ -0.0003256400000000, 0.0000000000000000, -0.0010622400000000 ] - [ -0.0005046700000000, -0.0002923100000000, -0.0013863200000000 ] - [ -0.0003365500000000, 0.0000038800000000, -0.0010560900000000 ] - [ -0.0005046700000000, 0.0002923100000000, -0.0013863200000000 ] - [ -0.0003365500000000, -0.0000038800000000, -0.0010560900000000 ] - [ 0.0003673600000000, 0.0000000000000000, 0.0001789400000000 ] - [ 0.0005010000000000, 0.0000000000000000, 0.0008998300000000 ] - [ 0.0003699500000000, 0.0000017400000000, 0.0001773000000000 ] - [ 0.0004747100000000, -0.0000015000000000, 0.0005465700000000 ] - [ 0.0003699500000000, -0.0000017400000000, 0.0001773000000000 ] - [ 0.0004747100000000, 0.0000015000000000, 0.0005465700000000 ] - [ -0.0004000200000000, -0.0000715400000000, 0.0001126900000000 ] - [ 0.0000663800000000, -0.0000129000000000, -0.0001591900000000 ] - [ -0.0000363000000000, 0.0000000000000000, -0.0000624300000000 ] - [ 0.0000478000000000, 0.0000000000000000, -0.0001617300000000 ] - [ -0.0004000200000000, 0.0000715400000000, 0.0001126900000000 ] - [ 0.0000663800000000, 0.0000129000000000, -0.0001591900000000 ] - [ -0.0004352500000000, -0.0000115900000000, 0.0000229200000000 ] - [ -0.0005421100000000, -0.0000729300000000, -0.0001263900000000 ] - [ -0.0004615600000000, 0.0000000000000000, 0.0000795700000000 ] - [ -0.0004013100000000, 0.0000000000000000, 0.0000603100000000 ] - [ -0.0004352500000000, 0.0000115900000000, 0.0000229200000000 ] - [ -0.0005421100000000, 0.0000729300000000, -0.0001263900000000 ] - [ -0.0003618400000000, 0.0000000000000000, 0.0010255000000000 ] - [ -0.0024120400000000, 0.0000000000000000, -0.0007652800000000 ] - [ -0.0003554300000000, 0.0000017400000000, 0.0010332800000000 ] - [ -0.0002200000000000, 0.0000197900000000, 0.0006855900000000 ] - [ -0.0003554300000000, -0.0000017400000000, 0.0010332800000000 ] - [ -0.0002200000000000, -0.0000197900000000, 0.0006855900000000 ] - [ 0.0004420700000000, 0.0003264600000000, -0.0004810100000000 ] - [ 0.0002877100000000, 0.0000023800000000, -0.0010265000000000 ] - [ 0.0003306500000000, 0.0000000000000000, -0.0007985100000000 ] - [ 0.0002909900000000, 0.0000000000000000, -0.0010286100000000 ] - [ 0.0004420700000000, -0.0003264600000000, -0.0004810100000000 ] - [ 0.0002877100000000, -0.0000023800000000, -0.0010265000000000 ] - [ 0.0003264500000000, 0.0000096700000000, 0.0010750100000000 ] - [ 0.0002396700000000, 0.0000100600000000, 0.0013084100000000 ] - [ 0.0003143200000000, 0.0000000000000000, 0.0010663400000000 ] - [ 0.0003326200000000, 0.0000000000000000, 0.0011520700000000 ] - [ 0.0003264500000000, -0.0000096700000000, 0.0010750100000000 ] - [ 0.0002396700000000, -0.0000100600000000, 0.0013084100000000 ] - [ -0.0001321100000000, 0.0000000000000000, 0.0002580700000000 ] - [ 0.0000472200000000, 0.0000000000000000, 0.0003806300000000 ] - [ -0.0001140900000000, -0.0000040800000000, 0.0002302700000000 ] - [ -0.0000059100000000, -0.0000459000000000, 0.0002659400000000 ] - [ -0.0001140900000000, 0.0000040800000000, 0.0002302700000000 ] - [ -0.0000059100000000, 0.0000459000000000, 0.0002659400000000 ] - [ 0.0002740300000000, 0.0031933800000000, -0.0044911500000000 ] - [ -0.0004348400000000, -0.0000003300000000, -0.0001673000000000 ] - [ -0.0003158000000000, 0.0000000000000000, -0.0002480300000000 ] - [ -0.0004323100000000, 0.0000000000000000, -0.0001658300000000 ] - [ 0.0002740300000000, -0.0031933800000000, -0.0044911500000000 ] - [ -0.0004348400000000, 0.0000003300000000, -0.0001673000000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002648000000000, 0.0000000000000000, -0.0006923500000000 ] - [ 0.0000110400000000, 0.0000000000000000, -0.0002072800000000 ] - [ -0.0002124000000000, 0.0000822900000000, -0.0003915900000000 ] - [ -0.0000034300000000, -0.0000032300000000, -0.0002131000000000 ] - [ -0.0002124000000000, -0.0000822900000000, -0.0003915900000000 ] - [ -0.0000034300000000, 0.0000032300000000, -0.0002131000000000 ] - [ -0.0014524300000000, 0.0006628900000000, -0.0012539800000000 ] - [ 0.0002820300000000, 0.0000004600000000, -0.0002426100000000 ] - [ -0.0014524300000000, -0.0006628900000000, -0.0012539800000000 ] - [ 0.0002820300000000, -0.0000004600000000, -0.0002426100000000 ] - [ -0.0001984400000000, 0.0000000000000000, -0.0002021400000000 ] - [ 0.0002691900000000, 0.0000000000000000, -0.0002388100000000 ] - [ 0.0010125100000000, 0.0000000000000000, -0.0003986300000000 ] - [ 0.0000727200000000, 0.0000000000000000, 0.0002124200000000 ] - [ -0.0001144900000000, -0.0002260000000000, 0.0001634300000000 ] - [ 0.0000088600000000, 0.0000435100000000, 0.0002166200000000 ] - [ -0.0001144900000000, 0.0002260000000000, 0.0001634300000000 ] - [ 0.0000088600000000, -0.0000435100000000, 0.0002166200000000 ] - [ 0.0001194900000000, 0.0000296000000000, -0.0000810200000000 ] - [ 0.0007110700000000, -0.0006991500000000, -0.0004671200000000 ] - [ 0.0001194900000000, -0.0000296000000000, -0.0000810200000000 ] - [ 0.0007110700000000, 0.0006991500000000, -0.0004671200000000 ] - [ 0.0000345600000000, 0.0000000000000000, -0.0000913300000000 ] - [ -0.0000757200000000, 0.0000000000000000, -0.0000885000000000 ] - [ -0.0001972300000000, 0.0000000000000000, -0.0001548000000000 ] - [ 0.0002975100000000, 0.0000000000000000, -0.0000310300000000 ] - [ -0.0001259400000000, -0.0000445500000000, -0.0001174300000000 ] - [ 0.0002767100000000, 0.0000088200000000, -0.0000352500000000 ] - [ -0.0001259400000000, 0.0000445500000000, -0.0001174300000000 ] - [ 0.0002767100000000, -0.0000088200000000, -0.0000352500000000 ] - [ 0.0002345300000000, 0.0000419600000000, 0.0002897900000000 ] - [ 0.0001911900000000, -0.0000296800000000, 0.0002144600000000 ] - [ 0.0002345300000000, -0.0000419600000000, 0.0002897900000000 ] - [ 0.0001911900000000, 0.0000296800000000, 0.0002144600000000 ] - [ 0.0002026800000000, 0.0000000000000000, 0.0002657100000000 ] - [ 0.0001715600000000, 0.0000000000000000, 0.0002080800000000 ] - [ 0.0004200800000000, 0.0000000000000000, 0.0008092500000000 ] - [ 0.0003004500000000, 0.0000000000000000, 0.0000118300000000 ] - [ 0.0000659200000000, 0.0001189300000000, 0.0001884100000000 ] - [ 0.0002636100000000, -0.0000248500000000, 0.0000284500000000 ] - [ 0.0000659200000000, -0.0001189300000000, 0.0001884100000000 ] - [ 0.0002636100000000, 0.0000248500000000, 0.0000284500000000 ] - [ -0.0001661200000000, 0.0009932600000000, 0.0011615900000000 ] - [ 0.0000646700000000, -0.0000065900000000, 0.0000756200000000 ] - [ -0.0001661200000000, -0.0009932600000000, 0.0011615900000000 ] - [ 0.0000646700000000, 0.0000065900000000, 0.0000756200000000 ] - [ -0.0004025900000000, 0.0000000000000000, 0.0000887900000000 ] - [ 0.0000474400000000, 0.0000000000000000, 0.0000784400000000 ] - [ -0.0357155200000000, 0.0000000000000000, -0.0068800100000000 ] - [ 0.0008856300000000, 0.0000000000000000, -0.0008981000000000 ] - [ 0.0003715200000000, 0.0004244000000000, -0.0004340800000000 ] - [ 0.0008679000000000, -0.0000031100000000, -0.0008997000000000 ] - [ 0.0003715200000000, -0.0004244000000000, -0.0004340800000000 ] - [ 0.0008679000000000, 0.0000031100000000, -0.0008997000000000 ] - [ -0.0007056000000000, 0.0000342500000000, 0.0008576700000000 ] - [ -0.0006283600000000, -0.0000288500000000, 0.0009863200000000 ] - [ -0.0007056000000000, -0.0000342500000000, 0.0008576700000000 ] - [ -0.0006283600000000, 0.0000288500000000, 0.0009863200000000 ] - [ -0.0008093700000000, 0.0000000000000000, 0.0009476000000000 ] - [ -0.0006909200000000, 0.0000000000000000, 0.0008896000000000 ] - [ 0.0008449500000000, 0.0000000000000000, 0.0009755500000000 ] - [ 0.0008447900000000, 0.0000000000000000, 0.0008802900000000 ] - [ 0.0008320200000000, -0.0001542800000000, 0.0010279300000000 ] - [ 0.0008326600000000, 0.0000292300000000, 0.0008750900000000 ] - [ 0.0008320200000000, 0.0001542800000000, 0.0010279300000000 ] - [ 0.0008326600000000, -0.0000292300000000, 0.0008750900000000 ] - [ -0.0008928100000000, -0.0000672400000000, -0.0008545000000000 ] - [ -0.0006750300000000, 0.0000003600000000, -0.0009042900000000 ] - [ -0.0008928100000000, 0.0000672400000000, -0.0008545000000000 ] - [ -0.0006750300000000, -0.0000003600000000, -0.0009042900000000 ] - [ -0.0008704400000000, 0.0000000000000000, -0.0008927200000000 ] - [ -0.0006810500000000, 0.0000000000000000, -0.0009050800000000 ] - [ 0.0004452800000000, -0.0002140900000000, 0.0002088100000000 ] - [ 0.0002287900000000, 0.0000123700000000, -0.0001739100000000 ] - [ 0.0004452800000000, 0.0002140900000000, 0.0002088100000000 ] - [ 0.0002287900000000, -0.0000123700000000, -0.0001739100000000 ] - [ 0.0005492900000000, 0.0000000000000000, -0.0001346000000000 ] - [ 0.0002759300000000, 0.0000000000000000, -0.0001643600000000 ] - [ 0.0118928600000000, 0.0000000000000000, 0.0146315600000000 ] - [ -0.0000893500000000, 0.0000000000000000, 0.0001581000000000 ] - [ 0.0003666300000000, -0.0003210100000000, 0.0001057600000000 ] - [ -0.0000684000000000, 0.0000106600000000, 0.0001633300000000 ] - [ 0.0003666300000000, 0.0003210100000000, 0.0001057600000000 ] - [ -0.0000684000000000, -0.0000106600000000, 0.0001633300000000 ] - [ -0.0002693100000000, -0.0001333100000000, -0.0000650700000000 ] - [ -0.0003740700000000, 0.0001422900000000, -0.0003021700000000 ] - [ -0.0002693100000000, 0.0001333100000000, -0.0000650700000000 ] - [ -0.0003740700000000, -0.0001422900000000, -0.0003021700000000 ] - [ -0.0001297600000000, 0.0000000000000000, -0.0001535200000000 ] - [ -0.0001278200000000, 0.0000000000000000, -0.0001917800000000 ] - [ -0.0005961500000000, -0.0002442000000000, -0.0012163500000000 ] - [ -0.0004612200000000, 0.0000248400000000, -0.0010006700000000 ] - [ -0.0005961500000000, 0.0002442000000000, -0.0012163500000000 ] - [ -0.0004612200000000, -0.0000248400000000, -0.0010006700000000 ] - [ -0.0003136300000000, 0.0000000000000000, -0.0010643300000000 ] - [ -0.0003878200000000, 0.0000000000000000, -0.0010337900000000 ] - [ 0.0005664800000000, 0.0000731200000000, 0.0001099200000000 ] - [ 0.0002672400000000, -0.0000065200000000, 0.0001574300000000 ] - [ 0.0005664800000000, -0.0000731200000000, 0.0001099200000000 ] - [ 0.0002672400000000, 0.0000065200000000, 0.0001574300000000 ] - [ 0.0005277700000000, 0.0000000000000000, 0.0001973000000000 ] - [ 0.0002805200000000, 0.0000000000000000, 0.0001579400000000 ] - [ 0.0000078600000000, 0.0000000000000000, -0.0003966700000000 ] - [ -0.0000611300000000, 0.0000000000000000, -0.0001419300000000 ] - [ 0.0000813800000000, 0.0001183400000000, -0.0002901600000000 ] - [ -0.0000423300000000, -0.0000105900000000, -0.0001441900000000 ] - [ 0.0000813800000000, -0.0001183400000000, -0.0002901600000000 ] - [ -0.0000423300000000, 0.0000105900000000, -0.0001441900000000 ] - [ 0.0229681200000000, 0.0000000000000000, -0.0059689000000000 ] - [ -0.0005789000000000, 0.0000000000000000, 0.0001760600000000 ] - [ 0.0001668400000000, 0.0004133100000000, 0.0000415300000000 ] - [ -0.0005673000000000, -0.0000028700000000, 0.0001743300000000 ] - [ 0.0001668400000000, -0.0004133100000000, 0.0000415300000000 ] - [ -0.0005673000000000, 0.0000028700000000, 0.0001743300000000 ] - [ 0.0002602000000000, -0.0002224400000000, 0.0000764200000000 ] - [ -0.0004288800000000, -0.0000022000000000, 0.0010448400000000 ] - [ 0.0002602000000000, 0.0002224400000000, 0.0000764200000000 ] - [ -0.0004288800000000, 0.0000022000000000, 0.0010448400000000 ] - [ -0.0001325400000000, 0.0000000000000000, 0.0010054900000000 ] - [ -0.0004152700000000, 0.0000000000000000, 0.0010460300000000 ] - [ 0.0002770900000000, 0.0000000000000000, -0.0010044500000000 ] - [ 0.0001709300000000, 0.0000000000000000, -0.0011007300000000 ] - [ 0.0002980100000000, 0.0000769700000000, -0.0010187700000000 ] - [ 0.0002619100000000, -0.0000473900000000, -0.0010709000000000 ] - [ 0.0002980100000000, -0.0000769700000000, -0.0010187700000000 ] - [ 0.0002619100000000, 0.0000473900000000, -0.0010709000000000 ] - [ 0.0007339000000000, 0.0000000000000000, 0.0008379700000000 ] - [ 0.0002106400000000, 0.0000000000000000, 0.0010365500000000 ] - [ 0.0004902000000000, 0.0000147400000000, 0.0010674800000000 ] - [ 0.0002190300000000, 0.0000003800000000, 0.0010349200000000 ] - [ 0.0004902000000000, -0.0000147400000000, 0.0010674800000000 ] - [ 0.0002190300000000, -0.0000003800000000, 0.0010349200000000 ] - [ 0.0002757800000000, -0.0000052200000000, 0.0001197600000000 ] - [ -0.0002091400000000, 0.0000014800000000, 0.0001792600000000 ] - [ 0.0002757800000000, 0.0000052200000000, 0.0001197600000000 ] - [ -0.0002091400000000, -0.0000014800000000, 0.0001792600000000 ] - [ 0.0001644900000000, 0.0000000000000000, 0.0001889100000000 ] - [ -0.0002017300000000, 0.0000000000000000, 0.0001793200000000 ] - [ -0.0005901500000000, 0.0000000000000000, -0.0002135400000000 ] - [ -0.0005558800000000, 0.0000000000000000, 0.0000369300000000 ] - [ -0.0005655900000000, 0.0000448200000000, -0.0002129700000000 ] - [ -0.0004831900000000, -0.0000759700000000, -0.0000645300000000 ] - [ -0.0005655900000000, -0.0000448200000000, -0.0002129700000000 ] - [ -0.0004831900000000, 0.0000759700000000, -0.0000645300000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000056400000000, 0.0000000000000000, 0.0002136100000000 ] - [ -0.0002833700000000, 0.0000000000000000, -0.0002493900000000 ] - [ -0.0000597400000000, -0.0000815000000000, -0.0000685800000000 ] - [ -0.0002689700000000, 0.0000032600000000, -0.0002438100000000 ] - [ -0.0000597400000000, 0.0000815000000000, -0.0000685800000000 ] - [ -0.0002689700000000, -0.0000032600000000, -0.0002438100000000 ] - [ 0.0017215000000000, -0.0006628800000000, 0.0007976400000000 ] - [ -0.0000095900000000, -0.0000004200000000, -0.0002140700000000 ] - [ 0.0017215000000000, 0.0006628800000000, 0.0007976400000000 ] - [ -0.0000095900000000, 0.0000004200000000, -0.0002140700000000 ] - [ 0.0004684800000000, 0.0000000000000000, -0.0002523800000000 ] - [ 0.0000031300000000, 0.0000000000000000, -0.0002177600000000 ] - [ -0.0012759300000000, 0.0000000000000000, 0.0008523800000000 ] - [ -0.0003455100000000, 0.0000000000000000, 0.0002475200000000 ] - [ -0.0001591400000000, 0.0002240700000000, 0.0002962500000000 ] - [ -0.0002814100000000, -0.0000435900000000, 0.0002429700000000 ] - [ -0.0001591400000000, -0.0002240700000000, 0.0002962500000000 ] - [ -0.0002814100000000, 0.0000435900000000, 0.0002429700000000 ] - [ -0.0003484400000000, -0.0000294300000000, -0.0000426000000000 ] - [ -0.0009175600000000, 0.0006859600000000, 0.0003489100000000 ] - [ -0.0003484400000000, 0.0000294300000000, -0.0000426000000000 ] - [ -0.0009175600000000, -0.0006859600000000, 0.0003489100000000 ] - [ -0.0002641300000000, 0.0000000000000000, -0.0000322100000000 ] - [ -0.0001517300000000, 0.0000000000000000, -0.0000346700000000 ] - [ 0.0004240600000000, 0.0000000000000000, 0.0000302500000000 ] - [ -0.0000677500000000, 0.0000000000000000, -0.0000924500000000 ] - [ 0.0003531400000000, 0.0000442600000000, -0.0000066000000000 ] - [ -0.0000470300000000, -0.0000088100000000, -0.0000881400000000 ] - [ 0.0003531400000000, -0.0000442600000000, -0.0000066000000000 ] - [ -0.0000470300000000, 0.0000088100000000, -0.0000881400000000 ] - [ 0.0000375600000000, -0.0000415300000000, 0.0001706400000000 ] - [ 0.0000813200000000, 0.0000292200000000, 0.0002450700000000 ] - [ 0.0000375600000000, 0.0000415300000000, 0.0001706400000000 ] - [ 0.0000813200000000, -0.0000292200000000, 0.0002450700000000 ] - [ 0.0000691700000000, 0.0000000000000000, 0.0001943900000000 ] - [ 0.0001007800000000, 0.0000000000000000, 0.0002518900000000 ] - [ -0.0001912900000000, 0.0000000000000000, -0.0006859200000000 ] - [ -0.0000708900000000, 0.0000000000000000, 0.0001145000000000 ] - [ 0.0001629000000000, -0.0001192800000000, -0.0000615700000000 ] - [ -0.0000343700000000, 0.0000246700000000, 0.0000979000000000 ] - [ 0.0001629000000000, 0.0001192800000000, -0.0000615700000000 ] - [ -0.0000343700000000, -0.0000246700000000, 0.0000979000000000 ] - [ -0.0000784900000000, -0.0009974800000000, -0.0010362200000000 ] - [ -0.0002937700000000, 0.0000064400000000, 0.0000511400000000 ] - [ -0.0000784900000000, 0.0009974800000000, -0.0010362200000000 ] - [ -0.0002937700000000, -0.0000064400000000, 0.0000511400000000 ] - [ 0.0001688800000000, 0.0000000000000000, 0.0000367300000000 ] - [ -0.0002768100000000, 0.0000000000000000, 0.0000483900000000 ] - [ 0.0385985100000000, 0.0000000000000000, 0.0037392000000000 ] - [ 0.0006927900000000, 0.0000000000000000, -0.0009047000000000 ] - [ 0.0011645500000000, -0.0004201400000000, -0.0013634000000000 ] - [ 0.0006694700000000, 0.0000031000000000, -0.0009017000000000 ] - [ 0.0011645500000000, 0.0004201400000000, -0.0013634000000000 ] - [ 0.0006694700000000, -0.0000031000000000, -0.0009017000000000 ] - [ -0.0008308400000000, -0.0000339700000000, 0.0009472900000000 ] - [ -0.0009107800000000, 0.0000287800000000, 0.0008203800000000 ] - [ -0.0008308400000000, 0.0000339700000000, 0.0009472900000000 ] - [ -0.0009107800000000, -0.0000287800000000, 0.0008203800000000 ] - [ -0.0007303000000000, 0.0000000000000000, 0.0008582000000000 ] - [ -0.0008480400000000, 0.0000000000000000, 0.0009168600000000 ] - [ 0.0006953300000000, 0.0000000000000000, 0.0008331200000000 ] - [ 0.0006949400000000, 0.0000000000000000, 0.0009242900000000 ] - [ 0.0007057600000000, 0.0001518500000000, 0.0007852200000000 ] - [ 0.0007068100000000, -0.0000291600000000, 0.0009286500000000 ] - [ 0.0007057600000000, -0.0001518500000000, 0.0007852200000000 ] - [ 0.0007068100000000, 0.0000291600000000, 0.0009286500000000 ] - [ -0.0006480200000000, 0.0000672000000000, -0.0009502600000000 ] - [ -0.0008652800000000, -0.0000003700000000, -0.0009009800000000 ] - [ -0.0006480200000000, -0.0000672000000000, -0.0009502600000000 ] - [ -0.0008652800000000, 0.0000003700000000, -0.0009009800000000 ] - [ -0.0006706300000000, 0.0000000000000000, -0.0009098000000000 ] - [ -0.0008590100000000, 0.0000000000000000, -0.0008996500000000 ] - [ 0.0003650700000000, 0.0002126500000000, -0.0005331900000000 ] - [ 0.0005817400000000, -0.0000124000000000, -0.0001527600000000 ] - [ 0.0003650700000000, -0.0002126500000000, -0.0005331900000000 ] - [ 0.0005817400000000, 0.0000124000000000, -0.0001527600000000 ] - [ 0.0002642400000000, 0.0000000000000000, -0.0001929300000000 ] - [ 0.0005349100000000, 0.0000000000000000, -0.0001627400000000 ] - [ -0.0113981400000000, 0.0000000000000000, -0.0136847100000000 ] - [ 0.0002168800000000, 0.0000000000000000, 0.0001703100000000 ] - [ -0.0002381500000000, 0.0003207100000000, 0.0002192600000000 ] - [ 0.0001954600000000, -0.0000105100000000, 0.0001647300000000 ] - [ -0.0002381500000000, -0.0003207100000000, 0.0002192600000000 ] - [ 0.0001954600000000, 0.0000105100000000, 0.0001647300000000 ] - [ 0.0001371700000000, 0.0001321700000000, -0.0002616300000000 ] - [ 0.0002428700000000, -0.0001426400000000, -0.0000252700000000 ] - [ 0.0001371700000000, -0.0001321700000000, -0.0002616300000000 ] - [ 0.0002428700000000, 0.0001426400000000, -0.0000252700000000 ] - [ -0.0000025700000000, 0.0000000000000000, -0.0001752000000000 ] - [ -0.0000041000000000, 0.0000000000000000, -0.0001361800000000 ] - [ -0.0000388000000000, 0.0002440200000000, -0.0008671500000000 ] - [ -0.0001717600000000, -0.0000282400000000, -0.0010784300000000 ] - [ -0.0000388000000000, -0.0002440200000000, -0.0008671500000000 ] - [ -0.0001717600000000, 0.0000282400000000, -0.0010784300000000 ] - [ -0.0003191500000000, 0.0000000000000000, -0.0010168100000000 ] - [ -0.0002459600000000, 0.0000000000000000, -0.0010470600000000 ] - [ 0.0002459100000000, -0.0000727600000000, 0.0002215300000000 ] - [ 0.0005432900000000, 0.0000065100000000, 0.0001724100000000 ] - [ 0.0002459100000000, 0.0000727600000000, 0.0002215300000000 ] - [ 0.0005432900000000, -0.0000065100000000, 0.0001724100000000 ] - [ 0.0002838700000000, 0.0000000000000000, 0.0001332200000000 ] - [ 0.0005310100000000, 0.0000000000000000, 0.0001717600000000 ] - [ 0.0001208100000000, 0.0000000000000000, 0.0000692800000000 ] - [ 0.0001931300000000, 0.0000000000000000, -0.0001899900000000 ] - [ 0.0000498900000000, -0.0001174100000000, -0.0000390900000000 ] - [ 0.0001715600000000, 0.0000106400000000, -0.0001838800000000 ] - [ 0.0000498900000000, 0.0001174100000000, -0.0000390900000000 ] - [ 0.0001715600000000, -0.0000106400000000, -0.0001838800000000 ] - [ -0.0254969100000000, 0.0000000000000000, 0.0068652600000000 ] - [ -0.0002318300000000, 0.0000000000000000, 0.0001532500000000 ] - [ -0.0009700500000000, -0.0004117800000000, 0.0002833800000000 ] - [ -0.0002426200000000, 0.0000028800000000, 0.0001549700000000 ] - [ -0.0009700500000000, 0.0004117800000000, 0.0002833800000000 ] - [ -0.0002426200000000, -0.0000028800000000, 0.0001549700000000 ] - [ -0.0008781800000000, 0.0002705100000000, 0.0019865800000000 ] - [ -0.0002051700000000, 0.0000022800000000, 0.0010422200000000 ] - [ -0.0008781800000000, -0.0002705100000000, 0.0019865800000000 ] - [ -0.0002051700000000, -0.0000022800000000, 0.0010422200000000 ] - [ -0.0005001800000000, 0.0000000000000000, 0.0010788100000000 ] - [ -0.0002187100000000, 0.0000000000000000, 0.0010416300000000 ] - [ 0.0003543700000000, 0.0000000000000000, -0.0010765200000000 ] - [ 0.0004602400000000, 0.0000000000000000, -0.0009801000000000 ] - [ 0.0003334700000000, -0.0000777700000000, -0.0010614500000000 ] - [ 0.0003690700000000, 0.0000469500000000, -0.0010098600000000 ] - [ 0.0003334700000000, 0.0000777700000000, -0.0010614500000000 ] - [ 0.0003690700000000, -0.0000469500000000, -0.0010098600000000 ] - [ -0.0000999000000000, 0.0000000000000000, 0.0012465100000000 ] - [ 0.0004212100000000, 0.0000000000000000, 0.0010502100000000 ] - [ 0.0001427100000000, -0.0000136100000000, 0.0010175800000000 ] - [ 0.0004127600000000, -0.0000007600000000, 0.0010512000000000 ] - [ 0.0001427100000000, 0.0000136100000000, 0.0010175800000000 ] - [ 0.0004127600000000, 0.0000007600000000, 0.0010512000000000 ] - [ -0.0004047400000000, 0.0000053300000000, 0.0002121800000000 ] - [ 0.0000776800000000, -0.0000013100000000, 0.0001506900000000 ] - [ -0.0004047400000000, -0.0000053300000000, 0.0002121800000000 ] - [ 0.0000776800000000, 0.0000013100000000, 0.0001506900000000 ] - [ -0.0002941700000000, 0.0000000000000000, 0.0001428600000000 ] - [ 0.0000696300000000, 0.0000000000000000, 0.0001512900000000 ] - [ -0.0002227800000000, 0.0000000000000000, -0.0001135300000000 ] - [ -0.0002658900000000, 0.0000000000000000, -0.0003645100000000 ] - [ -0.0002492100000000, -0.0000444300000000, -0.0001144300000000 ] - [ -0.0003320700000000, 0.0000757200000000, -0.0002619500000000 ] - [ -0.0002492100000000, 0.0000444300000000, -0.0001144300000000 ] - [ -0.0003320700000000, -0.0000757200000000, -0.0002619500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001358700000000, -0.0015582800000000, -0.0002303300000000 ] - [ -0.0001364300000000, -0.0000069400000000, -0.0002293300000000 ] - [ 0.0000699000000000, 0.0007348900000000, -0.0010720500000000 ] - [ -0.0001392300000000, 0.0000022100000000, -0.0002313400000000 ] - [ -0.0003434800000000, 0.0007358300000000, 0.0006175700000000 ] - [ -0.0001336100000000, 0.0000022800000000, -0.0002271400000000 ] - [ 0.0007461300000000, 0.0006381600000000, -0.0021347300000000 ] - [ 0.0001328100000000, -0.0000038800000000, -0.0002288900000000 ] - [ -0.0004823400000000, 0.0006568200000000, 0.0017055900000000 ] - [ 0.0001397900000000, -0.0000038000000000, -0.0002296300000000 ] - [ 0.0001364800000000, 0.0005087900000000, -0.0002298700000000 ] - [ 0.0001362700000000, 0.0000057200000000, -0.0002293600000000 ] - [ -0.0001372100000000, -0.0000305500000000, 0.0002290800000000 ] - [ -0.0001362600000000, -0.0000582500000000, 0.0002283000000000 ] - [ -0.0002782500000000, 0.0000315300000000, 0.0002954200000000 ] - [ -0.0001045400000000, 0.0000284900000000, 0.0002444300000000 ] - [ 0.0000058700000000, 0.0000311600000000, 0.0001614900000000 ] - [ -0.0001681700000000, 0.0000282200000000, 0.0002125700000000 ] - [ -0.0000958500000000, -0.0000084300000000, -0.0000627400000000 ] - [ -0.0011550400000000, -0.0002153000000000, -0.0004994500000000 ] - [ -0.0001328100000000, -0.0000084200000000, -0.0000619500000000 ] - [ 0.0009290500000000, -0.0002124200000000, 0.0003730100000000 ] - [ -0.0001143400000000, 0.0000141100000000, -0.0000623200000000 ] - [ -0.0001149000000000, 0.0004475700000000, -0.0000625200000000 ] - [ 0.0001142100000000, -0.0001594200000000, -0.0000623300000000 ] - [ 0.0001141600000000, -0.0000138200000000, -0.0000623500000000 ] - [ 0.0000474600000000, 0.0000781400000000, -0.0001136900000000 ] - [ 0.0001262800000000, 0.0000059700000000, -0.0000693600000000 ] - [ 0.0001810000000000, 0.0000780300000000, -0.0000108800000000 ] - [ 0.0001018100000000, 0.0000059200000000, -0.0000554300000000 ] - [ 0.0001601600000000, -0.0000227500000000, 0.0002376500000000 ] - [ 0.0000516700000000, -0.0000643900000000, 0.0002708300000000 ] - [ 0.0001123700000000, -0.0000227200000000, 0.0002195700000000 ] - [ 0.0002207400000000, -0.0000644800000000, 0.0001868200000000 ] - [ 0.0001362800000000, 0.0000428000000000, 0.0002286200000000 ] - [ 0.0001363100000000, 0.0001267300000000, 0.0002280300000000 ] - [ 0.0001143000000000, -0.0000703800000000, 0.0000626700000000 ] - [ 0.0001140300000000, -0.0000128200000000, 0.0000616600000000 ] - [ 0.0002066600000000, 0.0000530000000000, 0.0001662800000000 ] - [ 0.0001059400000000, 0.0000051500000000, 0.0000632500000000 ] - [ 0.0000215400000000, 0.0000526400000000, -0.0000431800000000 ] - [ 0.0001221700000000, 0.0000052000000000, 0.0000599900000000 ] - [ 0.0010097500000000, -0.0001977800000000, 0.0002595400000000 ] - [ -0.0001390100000000, -0.0000137000000000, 0.0000638500000000 ] - [ -0.0012388700000000, -0.0001951700000000, -0.0001381200000000 ] - [ -0.0000895500000000, -0.0000137400000000, 0.0000595300000000 ] - [ -0.0001133700000000, 0.0004268800000000, 0.0000620000000000 ] - [ -0.0001141900000000, 0.0000252200000000, 0.0000617000000000 ] - [ 0.0006206200000000, -0.0184235200000000, -0.0003535300000000 ] - [ 0.0007721700000000, 0.0000135300000000, -0.0009022100000000 ] - [ 0.0003474900000000, 0.0027260400000000, 0.0004215200000000 ] - [ 0.0007728500000000, 0.0000162200000000, -0.0009044100000000 ] - [ 0.0011926900000000, 0.0027206400000000, -0.0022519300000000 ] - [ 0.0007667200000000, 0.0000156300000000, -0.0008989100000000 ] - [ -0.0007357600000000, -0.0000274100000000, 0.0008822200000000 ] - [ -0.0007984700000000, -0.0000289000000000, 0.0008596300000000 ] - [ -0.0008040300000000, -0.0000274000000000, 0.0009228700000000 ] - [ -0.0007409200000000, -0.0000286500000000, 0.0009480500000000 ] - [ -0.0007697100000000, 0.0000099400000000, 0.0009022900000000 ] - [ -0.0007696900000000, 0.0000165400000000, 0.0009023900000000 ] - [ 0.0007706800000000, -0.0000846200000000, 0.0009040000000000 ] - [ 0.0007705700000000, -0.0000845200000000, 0.0009017700000000 ] - [ 0.0007417600000000, 0.0000217200000000, 0.0009434000000000 ] - [ 0.0009237300000000, 0.0000214100000000, 0.0009706200000000 ] - [ 0.0008000500000000, 0.0000212800000000, 0.0008629600000000 ] - [ 0.0006165600000000, 0.0000214700000000, 0.0008370000000000 ] - [ -0.0008376000000000, -0.0000522900000000, -0.0007119500000000 ] - [ -0.0007709000000000, 0.0000115900000000, -0.0009001300000000 ] - [ -0.0007032200000000, -0.0000553600000000, -0.0010977700000000 ] - [ -0.0007713000000000, 0.0000116200000000, -0.0009072100000000 ] - [ -0.0007709700000000, 0.0001443900000000, -0.0009027200000000 ] - [ -0.0007717800000000, 0.0000172700000000, -0.0009028900000000 ] - [ 0.0003292500000000, 0.0000400100000000, -0.0001182900000000 ] - [ 0.0004239900000000, 0.0000071800000000, -0.0001586300000000 ] - [ 0.0004877700000000, 0.0000398800000000, -0.0002092200000000 ] - [ 0.0003943500000000, 0.0000072000000000, -0.0001691200000000 ] - [ 0.0004094200000000, -0.0000839800000000, -0.0001639200000000 ] - [ 0.0004087000000000, -0.0000169800000000, -0.0001637800000000 ] - [ 0.0000003600000000, -0.0007102300000000, 0.0001329500000000 ] - [ 0.0000680300000000, 0.0000067200000000, 0.0001655600000000 ] - [ -0.0002419000000000, -0.0006539800000000, -0.0005141600000000 ] - [ 0.0000716900000000, -0.0000044300000000, 0.0001674900000000 ] - [ 0.0003832000000000, -0.0006540100000000, 0.0008536600000000 ] - [ 0.0000671000000000, -0.0000044000000000, 0.0001667500000000 ] - [ -0.0000949500000000, 0.0000160000000000, -0.0001559800000000 ] - [ -0.0000015800000000, 0.0000525800000000, -0.0000688300000000 ] - [ -0.0000430000000000, 0.0000161300000000, -0.0001794100000000 ] - [ -0.0001379100000000, 0.0000520300000000, -0.0002675300000000 ] - [ -0.0000699700000000, -0.0000358500000000, -0.0001685900000000 ] - [ -0.0000687200000000, -0.0000860200000000, -0.0001673600000000 ] - [ -0.0004045700000000, 0.0000597500000000, -0.0010168200000000 ] - [ -0.0002037800000000, 0.0000675200000000, -0.0010643500000000 ] - [ -0.0002301800000000, 0.0000567600000000, -0.0010664400000000 ] - [ -0.0004315600000000, 0.0000641800000000, -0.0010202200000000 ] - [ -0.0003175700000000, -0.0000958800000000, -0.0010410500000000 ] - [ -0.0003173700000000, -0.0001330600000000, -0.0010414300000000 ] - [ 0.0004604600000000, 0.0001226400000000, 0.0000292300000000 ] - [ 0.0004052400000000, 0.0000020600000000, 0.0001614500000000 ] - [ 0.0003578500000000, 0.0001226100000000, 0.0002962300000000 ] - [ 0.0004131100000000, 0.0000020400000000, 0.0001644400000000 ] - [ 0.0004105700000000, -0.0002789800000000, 0.0001634000000000 ] - [ 0.0004100100000000, -0.0000063300000000, 0.0001632200000000 ] - [ 0.0000694100000000, 0.0001848000000000, -0.0001678100000000 ] - [ 0.0000679900000000, 0.0000356600000000, -0.0001665700000000 ] - [ 0.0001848500000000, -0.0000989800000000, -0.0001318600000000 ] - [ 0.0000036900000000, -0.0000189800000000, -0.0001457700000000 ] - [ -0.0000440200000000, -0.0000987500000000, -0.0002068800000000 ] - [ 0.0001358300000000, -0.0000189900000000, -0.0001916100000000 ] - [ -0.0003362500000000, -0.0006735100000000, 0.0001756400000000 ] - [ -0.0004071600000000, 0.0000106300000000, 0.0001625800000000 ] - [ 0.0002428700000000, -0.0006452900000000, -0.0002391400000000 ] - [ -0.0004182200000000, -0.0000063700000000, 0.0001624600000000 ] - [ -0.0010658700000000, -0.0006452000000000, 0.0005681200000000 ] - [ -0.0003994100000000, -0.0000063900000000, 0.0001635600000000 ] - [ -0.0023390800000000, 0.0081043100000000, 0.0072197500000000 ] - [ -0.0003174900000000, 0.0000040900000000, 0.0010431800000000 ] - [ 0.0018623600000000, 0.0089454400000000, -0.0056310400000000 ] - [ -0.0003180200000000, 0.0000012700000000, 0.0010415700000000 ] - [ -0.0003174700000000, -0.0018370800000000, 0.0010411900000000 ] - [ -0.0003174600000000, -0.0000076600000000, 0.0010415500000000 ] - [ 0.0003176600000000, 0.0000401500000000, -0.0010424500000000 ] - [ 0.0003172700000000, 0.0000621000000000, -0.0010420200000000 ] - [ 0.0003362900000000, -0.0000225300000000, -0.0010363900000000 ] - [ 0.0002895600000000, -0.0000310700000000, -0.0010436400000000 ] - [ 0.0002987100000000, -0.0000208700000000, -0.0010477300000000 ] - [ 0.0003452100000000, -0.0000321700000000, -0.0010409900000000 ] - [ 0.0003175100000000, 0.0002667200000000, 0.0010410700000000 ] - [ 0.0003176000000000, 0.0000053600000000, 0.0010413900000000 ] - [ 0.0003309800000000, -0.0001263000000000, 0.0010190300000000 ] - [ 0.0003161500000000, -0.0000046400000000, 0.0010407600000000 ] - [ 0.0003037200000000, -0.0001237400000000, 0.0010624700000000 ] - [ 0.0003188000000000, -0.0000031100000000, 0.0010409400000000 ] - [ -0.0002283700000000, 0.0001369300000000, -0.0003839000000000 ] - [ -0.0000644700000000, 0.0000036100000000, 0.0001633300000000 ] - [ 0.0000891000000000, 0.0001368200000000, 0.0007182300000000 ] - [ -0.0000747200000000, 0.0000034700000000, 0.0001712700000000 ] - [ -0.0000706000000000, -0.0002727800000000, 0.0001681800000000 ] - [ -0.0000700000000000, -0.0000093100000000, 0.0001680600000000 ] - [ -0.0004090800000000, 0.0000213300000000, -0.0001636500000000 ] - [ -0.0004068300000000, 0.0003679400000000, -0.0001636300000000 ] - [ -0.0003922300000000, -0.0000110100000000, -0.0001671000000000 ] - [ -0.0007839700000000, -0.0001835400000000, -0.0001162000000000 ] - [ -0.0004289500000000, -0.0000110100000000, -0.0001609700000000 ] - [ -0.0000352600000000, -0.0001832100000000, -0.0002117100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005747100000000, 0.0000000000000000, 0.0013982600000000 ] - [ -0.0001344500000000, 0.0000000000000000, -0.0002285700000000 ] - [ -0.0003073500000000, -0.0001651300000000, 0.0004346500000000 ] - [ -0.0001299800000000, 0.0000042000000000, -0.0002263600000000 ] - [ -0.0003073500000000, 0.0001651300000000, 0.0004346500000000 ] - [ -0.0001299800000000, -0.0000042000000000, -0.0002263600000000 ] - [ -0.0008533100000000, -0.0020291500000000, 0.0012106900000000 ] - [ 0.0001535100000000, -0.0000062100000000, -0.0002386500000000 ] - [ -0.0008533100000000, 0.0020291500000000, 0.0012106900000000 ] - [ 0.0001535100000000, 0.0000062100000000, -0.0002386500000000 ] - [ 0.0001818100000000, 0.0000000000000000, -0.0005280900000000 ] - [ 0.0001423600000000, 0.0000000000000000, -0.0002338700000000 ] - [ -0.0004676900000000, 0.0000000000000000, 0.0004341900000000 ] - [ -0.0000137400000000, 0.0000000000000000, 0.0001592500000000 ] - [ -0.0000344300000000, 0.0001105500000000, 0.0001730900000000 ] - [ -0.0001104800000000, 0.0000665700000000, 0.0001715900000000 ] - [ -0.0000344300000000, -0.0001105500000000, 0.0001730900000000 ] - [ -0.0001104800000000, -0.0000665700000000, 0.0001715900000000 ] - [ -0.0001232100000000, -0.0000132100000000, -0.0000739000000000 ] - [ -0.0002410700000000, -0.0008049100000000, -0.0010910200000000 ] - [ -0.0001232100000000, 0.0000132100000000, -0.0000739000000000 ] - [ -0.0002410700000000, 0.0008049100000000, -0.0010910200000000 ] - [ -0.0000877700000000, 0.0000000000000000, -0.0000692900000000 ] - [ -0.0004386900000000, 0.0000000000000000, -0.0001988800000000 ] - [ 0.0001299400000000, 0.0000000000000000, 0.0000681300000000 ] - [ 0.0001519900000000, 0.0000000000000000, -0.0000239400000000 ] - [ 0.0001965400000000, 0.0000454600000000, 0.0000226800000000 ] - [ 0.0001223100000000, 0.0000154200000000, -0.0000315500000000 ] - [ 0.0001965400000000, -0.0000454600000000, 0.0000226800000000 ] - [ 0.0001223100000000, -0.0000154200000000, -0.0000315500000000 ] - [ 0.0001569100000000, -0.0000234800000000, 0.0002372700000000 ] - [ 0.0000703400000000, -0.0000496400000000, 0.0003281200000000 ] - [ 0.0001569100000000, 0.0000234800000000, 0.0002372700000000 ] - [ 0.0000703400000000, 0.0000496400000000, 0.0003281200000000 ] - [ 0.0001746700000000, 0.0000000000000000, 0.0002447900000000 ] - [ 0.0000363200000000, 0.0000000000000000, 0.0003056000000000 ] - [ 0.0005102200000000, 0.0000000000000000, 0.0011076300000000 ] - [ 0.0001049000000000, 0.0000000000000000, 0.0000717800000000 ] - [ 0.0000241000000000, 0.0002078800000000, 0.0001222000000000 ] - [ 0.0001227100000000, 0.0000135000000000, 0.0000651900000000 ] - [ 0.0000241000000000, -0.0002078800000000, 0.0001222000000000 ] - [ 0.0001227100000000, -0.0000135000000000, 0.0000651900000000 ] - [ 0.0006687900000000, -0.0003184400000000, -0.0000224900000000 ] - [ -0.0001322900000000, -0.0000101700000000, 0.0000529800000000 ] - [ 0.0006687900000000, 0.0003184400000000, -0.0000224900000000 ] - [ -0.0001322900000000, 0.0000101700000000, 0.0000529800000000 ] - [ 0.0002400700000000, 0.0000000000000000, 0.0001924800000000 ] - [ -0.0001501100000000, 0.0000000000000000, 0.0000565100000000 ] - [ -0.0049457300000000, 0.0000000000000000, -0.0243097300000000 ] - [ 0.0007761100000000, 0.0000000000000000, -0.0009004700000000 ] - [ 0.0012281600000000, -0.0013345400000000, -0.0025467400000000 ] - [ 0.0007708800000000, 0.0000032900000000, -0.0008985600000000 ] - [ 0.0012281600000000, 0.0013345400000000, -0.0025467400000000 ] - [ 0.0007708800000000, -0.0000032900000000, -0.0008985600000000 ] - [ -0.0008125400000000, -0.0000204500000000, 0.0009306300000000 ] - [ -0.0006860300000000, -0.0000442000000000, 0.0010126300000000 ] - [ -0.0008125400000000, 0.0000204500000000, 0.0009306300000000 ] - [ -0.0006860300000000, 0.0000442000000000, 0.0010126300000000 ] - [ -0.0007239100000000, 0.0000000000000000, 0.0008734400000000 ] - [ -0.0007838600000000, 0.0000000000000000, 0.0008602600000000 ] - [ 0.0007947100000000, 0.0000000000000000, 0.0008930600000000 ] - [ 0.0006965000000000, 0.0000000000000000, 0.0008929600000000 ] - [ 0.0007979200000000, 0.0000663300000000, 0.0008569200000000 ] - [ 0.0006460800000000, 0.0000396800000000, 0.0008556900000000 ] - [ 0.0007979200000000, -0.0000663300000000, 0.0008569200000000 ] - [ 0.0006460800000000, -0.0000396800000000, 0.0008556900000000 ] - [ -0.0008172300000000, -0.0001918200000000, -0.0007677200000000 ] - [ -0.0007688600000000, -0.0000039400000000, -0.0008949700000000 ] - [ -0.0008172300000000, 0.0001918200000000, -0.0007677200000000 ] - [ -0.0007688600000000, 0.0000039400000000, -0.0008949700000000 ] - [ -0.0007765700000000, 0.0000000000000000, -0.0007746900000000 ] - [ -0.0007687900000000, 0.0000000000000000, -0.0008908500000000 ] - [ 0.0005014200000000, 0.0000963800000000, -0.0002995000000000 ] - [ 0.0003312300000000, 0.0000197000000000, -0.0001787500000000 ] - [ 0.0005014200000000, -0.0000963800000000, -0.0002995000000000 ] - [ 0.0003312300000000, -0.0000197000000000, -0.0001787500000000 ] - [ 0.0003247600000000, 0.0000000000000000, -0.0001217900000000 ] - [ 0.0004092900000000, 0.0000000000000000, -0.0001649000000000 ] - [ 0.0136165400000000, 0.0000000000000000, 0.0152927300000000 ] - [ 0.0000634000000000, 0.0000000000000000, 0.0001687600000000 ] - [ 0.0003278900000000, -0.0002598400000000, 0.0008674400000000 ] - [ 0.0000569600000000, -0.0000074000000000, 0.0001654400000000 ] - [ 0.0003278900000000, 0.0002598400000000, 0.0008674400000000 ] - [ 0.0000569600000000, 0.0000074000000000, 0.0001654400000000 ] - [ -0.0000289600000000, 0.0000553900000000, -0.0001813800000000 ] - [ -0.0003797600000000, 0.0002386200000000, -0.0002492800000000 ] - [ -0.0000289600000000, -0.0000553900000000, -0.0001813800000000 ] - [ -0.0003797600000000, -0.0002386200000000, -0.0002492800000000 ] - [ -0.0000983300000000, 0.0000000000000000, -0.0001531000000000 ] - [ 0.0000119100000000, 0.0000000000000000, -0.0001096600000000 ] - [ -0.0002871000000000, 0.0001105600000000, -0.0009663600000000 ] - [ -0.0003070300000000, 0.0000374000000000, -0.0009612200000000 ] - [ -0.0002871000000000, -0.0001105600000000, -0.0009663600000000 ] - [ -0.0003070300000000, -0.0000374000000000, -0.0009612200000000 ] - [ -0.0003971500000000, 0.0000000000000000, -0.0010373100000000 ] - [ -0.0002299100000000, 0.0000000000000000, -0.0009925300000000 ] - [ 0.0005070300000000, 0.0001564000000000, -0.0001696300000000 ] - [ 0.0004030500000000, 0.0000050700000000, 0.0001594000000000 ] - [ 0.0005070300000000, -0.0001564000000000, -0.0001696300000000 ] - [ 0.0004030500000000, -0.0000050700000000, 0.0001594000000000 ] - [ 0.0004981600000000, 0.0000000000000000, -0.0000562400000000 ] - [ 0.0003935400000000, 0.0000000000000000, 0.0001575000000000 ] - [ 0.0000168500000000, 0.0000000000000000, -0.0001525700000000 ] - [ 0.0000952000000000, 0.0000000000000000, -0.0001888700000000 ] - [ -0.0000317500000000, -0.0000433000000000, -0.0001683300000000 ] - [ 0.0001259900000000, -0.0000168200000000, -0.0001893300000000 ] - [ -0.0000317500000000, 0.0000433000000000, -0.0001683300000000 ] - [ 0.0001259900000000, 0.0000168200000000, -0.0001893300000000 ] - [ -0.0059350800000000, 0.0000000000000000, 0.0010602400000000 ] - [ -0.0004182500000000, 0.0000000000000000, 0.0001853800000000 ] - [ -0.0008659600000000, -0.0000350400000000, 0.0006343300000000 ] - [ -0.0004027800000000, -0.0000066300000000, 0.0001797400000000 ] - [ -0.0008659600000000, 0.0000350400000000, 0.0006343300000000 ] - [ -0.0004027800000000, 0.0000066300000000, 0.0001797400000000 ] - [ -0.0012127900000000, 0.0002744300000000, 0.0037998700000000 ] - [ -0.0003168600000000, 0.0000050500000000, 0.0010480900000000 ] - [ -0.0012127900000000, -0.0002744300000000, 0.0037998700000000 ] - [ -0.0003168600000000, -0.0000050500000000, 0.0010480900000000 ] - [ -0.0003253200000000, 0.0000000000000000, 0.0011723800000000 ] - [ -0.0003185700000000, 0.0000000000000000, 0.0010486100000000 ] - [ 0.0003295800000000, 0.0000000000000000, -0.0010711800000000 ] - [ 0.0001942300000000, 0.0000000000000000, -0.0011479600000000 ] - [ 0.0003019000000000, -0.0000503000000000, -0.0010614100000000 ] - [ 0.0003340300000000, -0.0000790900000000, -0.0011050200000000 ] - [ 0.0003019000000000, 0.0000503000000000, -0.0010614100000000 ] - [ 0.0003340300000000, 0.0000790900000000, -0.0011050200000000 ] - [ 0.0004956300000000, 0.0000000000000000, 0.0004957400000000 ] - [ 0.0003057600000000, 0.0000000000000000, 0.0010349200000000 ] - [ 0.0003147000000000, -0.0001393400000000, 0.0009617500000000 ] - [ 0.0003100800000000, -0.0000025900000000, 0.0010381600000000 ] - [ 0.0003147000000000, 0.0001393400000000, 0.0009617500000000 ] - [ 0.0003100800000000, 0.0000025900000000, 0.0010381600000000 ] - [ -0.0001861000000000, 0.0000922800000000, -0.0002364800000000 ] - [ -0.0000675400000000, 0.0000062000000000, 0.0001556400000000 ] - [ -0.0001861000000000, -0.0000922800000000, -0.0002364800000000 ] - [ -0.0000675400000000, -0.0000062000000000, 0.0001556400000000 ] - [ -0.0001629700000000, 0.0000000000000000, -0.0000688100000000 ] - [ -0.0000601400000000, 0.0000000000000000, 0.0001514300000000 ] - [ -0.0004092000000000, 0.0000000000000000, -0.0001570900000000 ] - [ -0.0001839300000000, 0.0000000000000000, -0.0000351400000000 ] - [ -0.0004232500000000, -0.0000206600000000, -0.0001552200000000 ] - [ -0.0000906400000000, -0.0000374000000000, -0.0001255800000000 ] - [ -0.0004232500000000, 0.0000206600000000, -0.0001552200000000 ] - [ -0.0000906400000000, 0.0000374000000000, -0.0001255800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003203800000000, 0.0000000000000000, -0.0019012000000000 ] - [ -0.0001379200000000, 0.0000000000000000, -0.0002229800000000 ] - [ 0.0000359000000000, 0.0001647600000000, -0.0008900200000000 ] - [ -0.0001423600000000, -0.0000041600000000, -0.0002253600000000 ] - [ 0.0000359000000000, -0.0001647600000000, -0.0008900200000000 ] - [ -0.0001423600000000, 0.0000041600000000, -0.0002253600000000 ] - [ 0.0011157800000000, 0.0019981300000000, -0.0016232800000000 ] - [ 0.0001184300000000, 0.0000062300000000, -0.0002128900000000 ] - [ 0.0011157800000000, -0.0019981300000000, -0.0016232800000000 ] - [ 0.0001184300000000, -0.0000062300000000, -0.0002128900000000 ] - [ 0.0000907600000000, 0.0000000000000000, 0.0000794400000000 ] - [ 0.0001294700000000, 0.0000000000000000, -0.0002175100000000 ] - [ 0.0001925600000000, 0.0000000000000000, 0.0000332100000000 ] - [ -0.0002592200000000, 0.0000000000000000, 0.0003064400000000 ] - [ -0.0002381800000000, -0.0001100100000000, 0.0002931500000000 ] - [ -0.0001618700000000, -0.0000670200000000, 0.0002935500000000 ] - [ -0.0002381800000000, 0.0001100100000000, 0.0002931500000000 ] - [ -0.0001618700000000, 0.0000670200000000, 0.0002935500000000 ] - [ -0.0001077200000000, 0.0000131400000000, -0.0000444900000000 ] - [ 0.0000151900000000, 0.0008062500000000, 0.0009754200000000 ] - [ -0.0001077200000000, -0.0000131400000000, -0.0000444900000000 ] - [ 0.0000151900000000, -0.0008062500000000, 0.0009754200000000 ] - [ -0.0001430000000000, 0.0000000000000000, -0.0000490600000000 ] - [ 0.0002111100000000, 0.0000000000000000, 0.0000809600000000 ] - [ 0.0001025200000000, 0.0000000000000000, -0.0001864500000000 ] - [ 0.0000779000000000, 0.0000000000000000, -0.0000946400000000 ] - [ 0.0000353400000000, -0.0000454400000000, -0.0001415500000000 ] - [ 0.0001078600000000, -0.0000156300000000, -0.0000870300000000 ] - [ 0.0000353400000000, 0.0000454400000000, -0.0001415500000000 ] - [ 0.0001078600000000, 0.0000156300000000, -0.0000870300000000 ] - [ 0.0001151200000000, 0.0000233800000000, 0.0002281500000000 ] - [ 0.0002015700000000, 0.0000500000000000, 0.0001373300000000 ] - [ 0.0001151200000000, -0.0000233800000000, 0.0002281500000000 ] - [ 0.0002015700000000, -0.0000500000000000, 0.0001373300000000 ] - [ 0.0000975000000000, 0.0000000000000000, 0.0002205500000000 ] - [ 0.0002361600000000, 0.0000000000000000, 0.0001592000000000 ] - [ -0.0002838300000000, 0.0000000000000000, -0.0009801400000000 ] - [ 0.0001251700000000, 0.0000000000000000, 0.0000610400000000 ] - [ 0.0002059000000000, -0.0002089300000000, 0.0000109000000000 ] - [ 0.0001075400000000, -0.0000133900000000, 0.0000674800000000 ] - [ 0.0002059000000000, 0.0002089300000000, 0.0000109000000000 ] - [ 0.0001075400000000, 0.0000133900000000, 0.0000674800000000 ] - [ -0.0009104400000000, 0.0003102900000000, 0.0001458500000000 ] - [ -0.0000986400000000, 0.0000101800000000, 0.0000797200000000 ] - [ -0.0009104400000000, -0.0003102900000000, 0.0001458500000000 ] - [ -0.0000986400000000, -0.0000101800000000, 0.0000797200000000 ] - [ -0.0004717300000000, 0.0000000000000000, -0.0000609700000000 ] - [ -0.0000808000000000, 0.0000000000000000, 0.0000763100000000 ] - [ 0.0056956600000000, 0.0000000000000000, 0.0209260600000000 ] - [ 0.0007649700000000, 0.0000000000000000, -0.0008923700000000 ] - [ 0.0003041800000000, 0.0013390100000000, 0.0007537400000000 ] - [ 0.0007670700000000, -0.0000035400000000, -0.0008929200000000 ] - [ 0.0003041800000000, -0.0013390100000000, 0.0007537400000000 ] - [ 0.0007670700000000, 0.0000035400000000, -0.0008929200000000 ] - [ -0.0007229400000000, 0.0000194100000000, 0.0008822900000000 ] - [ -0.0008527400000000, 0.0000443700000000, 0.0008059700000000 ] - [ -0.0007229400000000, -0.0000194100000000, 0.0008822900000000 ] - [ -0.0008527400000000, -0.0000443700000000, 0.0008059700000000 ] - [ -0.0008145600000000, 0.0000000000000000, 0.0009360900000000 ] - [ -0.0007590000000000, 0.0000000000000000, 0.0009491200000000 ] - [ 0.0007467500000000, 0.0000000000000000, 0.0009241700000000 ] - [ 0.0008431900000000, 0.0000000000000000, 0.0009206800000000 ] - [ 0.0007430100000000, -0.0000666700000000, 0.0009552600000000 ] - [ 0.0008940600000000, -0.0000401600000000, 0.0009567700000000 ] - [ 0.0007430100000000, 0.0000666700000000, 0.0009552600000000 ] - [ 0.0008940600000000, 0.0000401600000000, 0.0009567700000000 ] - [ -0.0007233100000000, 0.0001928200000000, -0.0010315600000000 ] - [ -0.0007749700000000, 0.0000040000000000, -0.0008986600000000 ] - [ -0.0007233100000000, -0.0001928200000000, -0.0010315600000000 ] - [ -0.0007749700000000, -0.0000040000000000, -0.0008986600000000 ] - [ -0.0007634700000000, 0.0000000000000000, -0.0010215000000000 ] - [ -0.0007761100000000, 0.0000000000000000, -0.0009035400000000 ] - [ 0.0003098100000000, -0.0000960600000000, -0.0000250100000000 ] - [ 0.0004766300000000, -0.0000198200000000, -0.0001427800000000 ] - [ 0.0003098100000000, 0.0000960600000000, -0.0000250100000000 ] - [ 0.0004766300000000, 0.0000198200000000, -0.0001427800000000 ] - [ 0.0004851100000000, 0.0000000000000000, -0.0002017300000000 ] - [ 0.0004082400000000, 0.0000000000000000, -0.0001598100000000 ] - [ -0.0126621900000000, 0.0000000000000000, -0.0141871900000000 ] - [ 0.0000638500000000, 0.0000000000000000, 0.0001653400000000 ] - [ -0.0002040000000000, 0.0002628000000000, -0.0005402700000000 ] - [ 0.0000697700000000, 0.0000073200000000, 0.0001678200000000 ] - [ -0.0002040000000000, -0.0002628000000000, -0.0005402700000000 ] - [ 0.0000697700000000, -0.0000073200000000, 0.0001678200000000 ] - [ -0.0000988000000000, -0.0000555600000000, -0.0001409900000000 ] - [ 0.0002552600000000, -0.0002395200000000, -0.0000689700000000 ] - [ -0.0000988000000000, 0.0000555600000000, -0.0001409900000000 ] - [ 0.0002552600000000, 0.0002395200000000, -0.0000689700000000 ] - [ -0.0000279600000000, 0.0000000000000000, -0.0001676500000000 ] - [ -0.0001441500000000, 0.0000000000000000, -0.0002173300000000 ] - [ -0.0003431700000000, -0.0001094400000000, -0.0011100800000000 ] - [ -0.0003239100000000, -0.0000391200000000, -0.0011172600000000 ] - [ -0.0003431700000000, 0.0001094400000000, -0.0011100800000000 ] - [ -0.0003239100000000, 0.0000391200000000, -0.0011172600000000 ] - [ -0.0002334700000000, 0.0000000000000000, -0.0010388300000000 ] - [ -0.0004019900000000, 0.0000000000000000, -0.0010860800000000 ] - [ 0.0003025200000000, -0.0001581900000000, 0.0005063200000000 ] - [ 0.0004111600000000, -0.0000049400000000, 0.0001777600000000 ] - [ 0.0003025200000000, 0.0001581900000000, 0.0005063200000000 ] - [ 0.0004111600000000, 0.0000049400000000, 0.0001777600000000 ] - [ 0.0003098400000000, 0.0000000000000000, 0.0003930200000000 ] - [ 0.0004182200000000, 0.0000000000000000, 0.0001789400000000 ] - [ 0.0001117200000000, 0.0000000000000000, -0.0001690700000000 ] - [ 0.0000337600000000, 0.0000000000000000, -0.0001330000000000 ] - [ 0.0001600600000000, 0.0000434300000000, -0.0001529400000000 ] - [ 0.0000000400000000, 0.0000170700000000, -0.0001300700000000 ] - [ 0.0001600600000000, -0.0000434300000000, -0.0001529400000000 ] - [ 0.0000000400000000, -0.0000170700000000, -0.0001300700000000 ] - [ 0.0050905200000000, 0.0000000000000000, -0.0008351400000000 ] - [ -0.0003909700000000, 0.0000000000000000, 0.0001512700000000 ] - [ 0.0000582600000000, 0.0000367000000000, -0.0002996900000000 ] - [ -0.0004053600000000, 0.0000066600000000, 0.0001567100000000 ] - [ 0.0000582600000000, -0.0000367000000000, -0.0002996900000000 ] - [ -0.0004053600000000, -0.0000066600000000, 0.0001567100000000 ] - [ 0.0005930900000000, -0.0004650500000000, -0.0017790000000000 ] - [ -0.0003139200000000, -0.0000058700000000, 0.0010447100000000 ] - [ 0.0005930900000000, 0.0004650500000000, -0.0017790000000000 ] - [ -0.0003139200000000, 0.0000058700000000, 0.0010447100000000 ] - [ -0.0003070900000000, 0.0000000000000000, 0.0009239900000000 ] - [ -0.0003125800000000, 0.0000000000000000, 0.0010457100000000 ] - [ 0.0003013600000000, 0.0000000000000000, -0.0010055900000000 ] - [ 0.0004386900000000, 0.0000000000000000, -0.0009319100000000 ] - [ 0.0003290400000000, 0.0000503800000000, -0.0010153000000000 ] - [ 0.0002969200000000, 0.0000723200000000, -0.0009713800000000 ] - [ 0.0003290400000000, -0.0000503800000000, -0.0010153000000000 ] - [ 0.0002969200000000, -0.0000723200000000, -0.0009713800000000 ] - [ 0.0001353000000000, 0.0000000000000000, 0.0015987400000000 ] - [ 0.0003262700000000, 0.0000000000000000, 0.0010570000000000 ] - [ 0.0003175400000000, 0.0001411100000000, 0.0011329000000000 ] - [ 0.0003220700000000, 0.0000044100000000, 0.0010546100000000 ] - [ 0.0003175400000000, -0.0001411100000000, 0.0011329000000000 ] - [ 0.0003220700000000, -0.0000044100000000, 0.0010546100000000 ] - [ 0.0000590400000000, -0.0000934400000000, 0.0005705700000000 ] - [ -0.0000617400000000, -0.0000059400000000, 0.0001809900000000 ] - [ 0.0000590400000000, 0.0000934400000000, 0.0005705700000000 ] - [ -0.0000617400000000, 0.0000059400000000, 0.0001809900000000 ] - [ 0.0000373600000000, 0.0000000000000000, 0.0004027300000000 ] - [ -0.0000677200000000, 0.0000000000000000, 0.0001834200000000 ] - [ -0.0004035600000000, 0.0000000000000000, -0.0001661600000000 ] - [ -0.0006262100000000, 0.0000000000000000, -0.0002885100000000 ] - [ -0.0003878000000000, 0.0000210900000000, -0.0001673400000000 ] - [ -0.0007197200000000, 0.0000379400000000, -0.0001967000000000 ] - [ -0.0003878000000000, -0.0000210900000000, -0.0001673400000000 ] - [ -0.0007197200000000, -0.0000379400000000, -0.0001967000000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002595400000000, -0.0000950500000000, -0.0003740900000000 ] - [ -0.0002841900000000, 0.0000202000000000, -0.0001723400000000 ] - [ -0.0001913900000000, 0.0000000000000000, -0.0003114400000000 ] - [ -0.0002607700000000, 0.0000000000000000, -0.0001767300000000 ] - [ -0.0002595400000000, 0.0000950500000000, -0.0003740900000000 ] - [ -0.0002841900000000, -0.0000202000000000, -0.0001723400000000 ] - [ 0.0040593300000000, 0.0000000000000000, -0.0016504500000000 ] - [ -0.0001425800000000, 0.0000000000000000, -0.0002252300000000 ] - [ 0.0002694500000000, -0.0004933400000000, -0.0000793500000000 ] - [ -0.0000880200000000, 0.0000329400000000, -0.0002270200000000 ] - [ 0.0002694500000000, 0.0004933400000000, -0.0000793500000000 ] - [ -0.0000880200000000, -0.0000329400000000, -0.0002270200000000 ] - [ 0.0023370800000000, -0.0014581200000000, 0.0016956200000000 ] - [ -0.0003655100000000, -0.0000059700000000, 0.0002524400000000 ] - [ 0.0003292800000000, 0.0000000000000000, 0.0001381200000000 ] - [ -0.0003492100000000, 0.0000000000000000, 0.0002485200000000 ] - [ 0.0023370800000000, 0.0014581200000000, 0.0016956200000000 ] - [ -0.0003655100000000, 0.0000059700000000, 0.0002524400000000 ] - [ -0.0003008400000000, 0.0000000000000000, -0.0006062000000000 ] - [ -0.0004159900000000, 0.0000000000000000, 0.0000506500000000 ] - [ -0.0001576300000000, 0.0000777000000000, -0.0001826400000000 ] - [ -0.0003318700000000, -0.0000578300000000, 0.0000075700000000 ] - [ -0.0001576300000000, -0.0000777000000000, -0.0001826400000000 ] - [ -0.0003318700000000, 0.0000578300000000, 0.0000075700000000 ] - [ 0.0015883500000000, 0.0005585300000000, 0.0005867900000000 ] - [ -0.0001823500000000, 0.0000025100000000, -0.0000917700000000 ] - [ 0.0007165200000000, 0.0000000000000000, 0.0000242100000000 ] - [ -0.0001658000000000, 0.0000000000000000, -0.0000940400000000 ] - [ 0.0015883500000000, -0.0005585300000000, 0.0005867900000000 ] - [ -0.0001823500000000, -0.0000025100000000, -0.0000917700000000 ] - [ 0.0002343200000000, 0.0000000000000000, 0.0008166500000000 ] - [ -0.0001074300000000, 0.0000000000000000, 0.0001847800000000 ] - [ 0.0002805500000000, 0.0001999600000000, 0.0006067000000000 ] - [ -0.0000766400000000, -0.0000096800000000, 0.0001978500000000 ] - [ 0.0002805500000000, -0.0001999600000000, 0.0006067000000000 ] - [ -0.0000766400000000, 0.0000096800000000, 0.0001978500000000 ] - [ -0.0003121100000000, -0.0000655800000000, 0.0000956700000000 ] - [ -0.0005500800000000, 0.0003340000000000, 0.0002022000000000 ] - [ -0.0001064800000000, 0.0000000000000000, 0.0001204000000000 ] - [ -0.0000443800000000, 0.0000000000000000, 0.0000642600000000 ] - [ -0.0003121100000000, 0.0000655800000000, 0.0000956700000000 ] - [ -0.0005500800000000, -0.0003340000000000, 0.0002022000000000 ] - [ 0.0004838100000000, 0.0000000000000000, 0.0001579000000000 ] - [ -0.0003937600000000, 0.0000000000000000, 0.0000297000000000 ] - [ 0.0003762500000000, -0.0000771700000000, 0.0001308900000000 ] - [ -0.0003784000000000, 0.0000050300000000, 0.0000330300000000 ] - [ 0.0003762500000000, 0.0000771700000000, 0.0001308900000000 ] - [ -0.0003784000000000, -0.0000050300000000, 0.0000330300000000 ] - [ 0.0008038000000000, -0.0000791300000000, -0.0008034400000000 ] - [ 0.0005845700000000, 0.0000149400000000, -0.0009751100000000 ] - [ 0.0009062100000000, 0.0000000000000000, -0.0009824800000000 ] - [ 0.0006332700000000, 0.0000000000000000, -0.0008988300000000 ] - [ 0.0008038000000000, 0.0000791300000000, -0.0008034400000000 ] - [ 0.0005845700000000, -0.0000149400000000, -0.0009751100000000 ] - [ 0.0225502500000000, 0.0000000000000000, -0.0043060000000000 ] - [ -0.0009416500000000, 0.0000000000000000, 0.0008878700000000 ] - [ -0.0001971000000000, 0.0006578700000000, 0.0004378100000000 ] - [ -0.0009272800000000, -0.0000089400000000, 0.0009010800000000 ] - [ -0.0001971000000000, -0.0006578700000000, 0.0004378100000000 ] - [ -0.0009272800000000, 0.0000089400000000, 0.0009010800000000 ] - [ 0.0009251200000000, 0.0000525700000000, 0.0007983100000000 ] - [ 0.0006223900000000, -0.0000037400000000, 0.0009072300000000 ] - [ 0.0008853900000000, 0.0000000000000000, 0.0008062100000000 ] - [ 0.0006359100000000, 0.0000000000000000, 0.0009132900000000 ] - [ 0.0009251200000000, -0.0000525700000000, 0.0007983100000000 ] - [ 0.0006223900000000, 0.0000037400000000, 0.0009072300000000 ] - [ -0.0009153300000000, 0.0000000000000000, -0.0011224600000000 ] - [ -0.0009527900000000, 0.0000000000000000, -0.0008985000000000 ] - [ -0.0008432600000000, -0.0003776200000000, -0.0012175800000000 ] - [ -0.0009274800000000, 0.0000179500000000, -0.0008846500000000 ] - [ -0.0008432600000000, 0.0003776200000000, -0.0012175800000000 ] - [ -0.0009274800000000, -0.0000179500000000, -0.0008846500000000 ] - [ -0.0488831300000000, 0.0000000000000000, 0.0063270200000000 ] - [ 0.0006867800000000, 0.0000000000000000, -0.0001744600000000 ] - [ -0.0006060100000000, 0.0002200300000000, -0.0001158500000000 ] - [ 0.0006713100000000, 0.0000002200000000, -0.0001737200000000 ] - [ -0.0006060100000000, -0.0002200300000000, -0.0001158500000000 ] - [ 0.0006713100000000, -0.0000002200000000, -0.0001737200000000 ] - [ 0.0004381100000000, 0.0003535200000000, -0.0001098900000000 ] - [ 0.0004040800000000, -0.0001088500000000, 0.0003303600000000 ] - [ 0.0001164100000000, 0.0000000000000000, 0.0001296100000000 ] - [ 0.0002233000000000, 0.0000000000000000, 0.0002201000000000 ] - [ 0.0004381100000000, -0.0003535200000000, -0.0001098900000000 ] - [ 0.0004040800000000, 0.0001088500000000, 0.0003303600000000 ] - [ 0.0074679600000000, 0.0000000000000000, 0.0028050200000000 ] - [ 0.0002050200000000, 0.0000000000000000, -0.0001584800000000 ] - [ -0.0001586000000000, -0.0002915500000000, 0.0000503100000000 ] - [ 0.0001612800000000, 0.0000274100000000, -0.0001622000000000 ] - [ -0.0001586000000000, 0.0002915500000000, 0.0000503100000000 ] - [ 0.0001612800000000, -0.0000274100000000, -0.0001622000000000 ] - [ -0.0006167100000000, 0.0000000000000000, -0.0007514400000000 ] - [ -0.0001451500000000, 0.0000000000000000, -0.0010385900000000 ] - [ -0.0005048100000000, -0.0001077500000000, -0.0008741400000000 ] - [ -0.0001577000000000, 0.0000050500000000, -0.0010350900000000 ] - [ -0.0005048100000000, 0.0001077500000000, -0.0008741400000000 ] - [ -0.0001577000000000, -0.0000050500000000, -0.0010350900000000 ] - [ 0.0007074800000000, 0.0000000000000000, 0.0002816400000000 ] - [ 0.0007109300000000, 0.0000000000000000, 0.0000314900000000 ] - [ 0.0006843900000000, 0.0001126700000000, 0.0002891800000000 ] - [ 0.0006842100000000, -0.0000995600000000, 0.0000644700000000 ] - [ 0.0006843900000000, -0.0001126700000000, 0.0002891800000000 ] - [ 0.0006842100000000, 0.0000995600000000, 0.0000644700000000 ] - [ -0.0005376600000000, -0.0000086500000000, -0.0001333200000000 ] - [ 0.0002990200000000, 0.0000022300000000, -0.0001838500000000 ] - [ -0.0003673500000000, 0.0000000000000000, -0.0001635500000000 ] - [ 0.0002886600000000, 0.0000000000000000, -0.0001852100000000 ] - [ -0.0005376600000000, 0.0000086500000000, -0.0001333200000000 ] - [ 0.0002990200000000, -0.0000022300000000, -0.0001838500000000 ] - [ -0.0007911900000000, 0.0003753500000000, -0.0004285700000000 ] - [ -0.0001426300000000, -0.0000074200000000, 0.0001710600000000 ] - [ -0.0007527500000000, 0.0000000000000000, 0.0001443800000000 ] - [ -0.0001813200000000, 0.0000000000000000, 0.0001629900000000 ] - [ -0.0007911900000000, -0.0003753500000000, -0.0004285700000000 ] - [ -0.0001426300000000, 0.0000074200000000, 0.0001710600000000 ] - [ -0.0003145600000000, 0.0000000000000000, 0.0009876300000000 ] - [ -0.0001512800000000, 0.0000000000000000, 0.0010725800000000 ] - [ -0.0003487700000000, 0.0001342700000000, 0.0010161500000000 ] - [ -0.0001974200000000, -0.0000367700000000, 0.0010551000000000 ] - [ -0.0003487700000000, -0.0001342700000000, 0.0010161500000000 ] - [ -0.0001974200000000, 0.0000367700000000, 0.0010551000000000 ] - [ 0.0041502700000000, -0.0051690900000000, -0.0048847300000000 ] - [ 0.0005088900000000, 0.0000116900000000, -0.0010430400000000 ] - [ 0.0000362200000000, 0.0000000000000000, -0.0010066900000000 ] - [ 0.0004816600000000, 0.0000000000000000, -0.0010475200000000 ] - [ 0.0041502700000000, 0.0051690900000000, -0.0048847300000000 ] - [ 0.0005088900000000, -0.0000116900000000, -0.0010430400000000 ] - [ 0.0008952900000000, 0.0006627800000000, 0.0014794100000000 ] - [ 0.0005310300000000, -0.0000213400000000, 0.0010248900000000 ] - [ 0.0002346500000000, 0.0000000000000000, 0.0010795700000000 ] - [ 0.0004784000000000, 0.0000000000000000, 0.0010560900000000 ] - [ 0.0008952900000000, -0.0006627800000000, 0.0014794100000000 ] - [ 0.0005310300000000, 0.0000213400000000, 0.0010248900000000 ] - [ -0.0001315600000000, 0.0000000000000000, 0.0006330900000000 ] - [ 0.0001657400000000, 0.0000000000000000, 0.0001246900000000 ] - [ -0.0002260500000000, 0.0001865200000000, 0.0003929400000000 ] - [ 0.0001543000000000, -0.0000065500000000, 0.0001246700000000 ] - [ -0.0002260500000000, -0.0001865200000000, 0.0003929400000000 ] - [ 0.0001543000000000, 0.0000065500000000, 0.0001246700000000 ] - [ -0.0005057200000000, -0.0000535700000000, -0.0002064900000000 ] - [ -0.0001815200000000, 0.0000158300000000, -0.0001497600000000 ] - [ -0.0004551700000000, 0.0000000000000000, -0.0002342300000000 ] - [ -0.0002105600000000, 0.0000000000000000, -0.0001521700000000 ] - [ -0.0005057200000000, 0.0000535700000000, -0.0002064900000000 ] - [ -0.0001815200000000, -0.0000158300000000, -0.0001497600000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000127000000000, 0.0000943000000000, -0.0000852100000000 ] - [ 0.0000105900000000, -0.0000196700000000, -0.0002846900000000 ] - [ -0.0000804500000000, 0.0000000000000000, -0.0001475600000000 ] - [ -0.0000124600000000, 0.0000000000000000, -0.0002807600000000 ] - [ -0.0000127000000000, -0.0000943000000000, -0.0000852100000000 ] - [ 0.0000105900000000, 0.0000196700000000, -0.0002846900000000 ] - [ -0.0035856800000000, 0.0000000000000000, 0.0010888300000000 ] - [ 0.0004134300000000, 0.0000000000000000, -0.0002330200000000 ] - [ 0.0000058600000000, 0.0004885800000000, -0.0003773200000000 ] - [ 0.0003588600000000, -0.0000328200000000, -0.0002310100000000 ] - [ 0.0000058600000000, -0.0004885800000000, -0.0003773200000000 ] - [ 0.0003588600000000, 0.0000328200000000, -0.0002310100000000 ] - [ -0.0026021600000000, 0.0014870800000000, -0.0012687700000000 ] - [ 0.0000916500000000, 0.0000057800000000, 0.0002057200000000 ] - [ -0.0005987400000000, 0.0000000000000000, 0.0003180100000000 ] - [ 0.0000755200000000, 0.0000000000000000, 0.0002093700000000 ] - [ -0.0026021600000000, -0.0014870800000000, -0.0012687700000000 ] - [ 0.0000916500000000, -0.0000057800000000, 0.0002057200000000 ] - [ 0.0000696500000000, 0.0000000000000000, 0.0004804800000000 ] - [ 0.0001844800000000, 0.0000000000000000, -0.0001742100000000 ] - [ -0.0000723900000000, -0.0000774800000000, 0.0000570200000000 ] - [ 0.0001014300000000, 0.0000571500000000, -0.0001316500000000 ] - [ -0.0000723900000000, 0.0000774800000000, 0.0000570200000000 ] - [ 0.0001014300000000, -0.0000571500000000, -0.0001316500000000 ] - [ -0.0013536000000000, -0.0005665000000000, -0.0007201800000000 ] - [ 0.0004093400000000, -0.0000024900000000, -0.0000331800000000 ] - [ -0.0004816500000000, 0.0000000000000000, -0.0001475000000000 ] - [ 0.0003931200000000, 0.0000000000000000, -0.0000310000000000 ] - [ -0.0013536000000000, 0.0005665000000000, -0.0007201800000000 ] - [ 0.0004093400000000, 0.0000024900000000, -0.0000331800000000 ] - [ 0.0000369600000000, 0.0000000000000000, -0.0003470200000000 ] - [ 0.0003780100000000, 0.0000000000000000, 0.0002733300000000 ] - [ -0.0000083400000000, -0.0001981100000000, -0.0001451800000000 ] - [ 0.0003475000000000, 0.0000096400000000, 0.0002606200000000 ] - [ -0.0000083400000000, 0.0001981100000000, -0.0001451800000000 ] - [ 0.0003475000000000, -0.0000096400000000, 0.0002606200000000 ] - [ 0.0005375300000000, 0.0000649000000000, 0.0000295200000000 ] - [ 0.0007714500000000, -0.0003297900000000, -0.0000789700000000 ] - [ 0.0003339500000000, 0.0000000000000000, 0.0000052700000000 ] - [ 0.0002718700000000, 0.0000000000000000, 0.0000611800000000 ] - [ 0.0005375300000000, -0.0000649000000000, 0.0000295200000000 ] - [ 0.0007714500000000, 0.0003297900000000, -0.0000789700000000 ] - [ -0.0007078700000000, 0.0000000000000000, -0.0000312800000000 ] - [ 0.0001626700000000, 0.0000000000000000, 0.0000954700000000 ] - [ -0.0006015400000000, 0.0000768000000000, -0.0000045900000000 ] - [ 0.0001474200000000, -0.0000050100000000, 0.0000922000000000 ] - [ -0.0006015400000000, -0.0000768000000000, -0.0000045900000000 ] - [ 0.0001474200000000, 0.0000050100000000, 0.0000922000000000 ] - [ 0.0007360300000000, 0.0000780500000000, -0.0010011700000000 ] - [ 0.0009503400000000, -0.0000141900000000, -0.0008362300000000 ] - [ 0.0006332500000000, 0.0000000000000000, -0.0008261600000000 ] - [ 0.0009027900000000, 0.0000000000000000, -0.0009044300000000 ] - [ 0.0007360300000000, -0.0000780500000000, -0.0010011700000000 ] - [ 0.0009503400000000, 0.0000141900000000, -0.0008362300000000 ] - [ -0.0259165100000000, 0.0000000000000000, 0.0067405100000000 ] - [ -0.0005978500000000, 0.0000000000000000, 0.0009182800000000 ] - [ -0.0013395100000000, -0.0006531200000000, 0.0013643300000000 ] - [ -0.0006120000000000, 0.0000089600000000, 0.0009065700000000 ] - [ -0.0013395100000000, 0.0006531200000000, 0.0013643300000000 ] - [ -0.0006120000000000, -0.0000089600000000, 0.0009065700000000 ] - [ 0.0006145800000000, -0.0000522600000000, 0.0010113100000000 ] - [ 0.0009157500000000, 0.0000035200000000, 0.0008956600000000 ] - [ 0.0006570900000000, 0.0000000000000000, 0.0009965000000000 ] - [ 0.0009035800000000, 0.0000000000000000, 0.0008893800000000 ] - [ 0.0006145800000000, 0.0000522600000000, 0.0010113100000000 ] - [ 0.0009157500000000, -0.0000035200000000, 0.0008956600000000 ] - [ -0.0006254800000000, 0.0000000000000000, -0.0006921500000000 ] - [ -0.0005881100000000, 0.0000000000000000, -0.0009140000000000 ] - [ -0.0006949200000000, 0.0003732500000000, -0.0005962600000000 ] - [ -0.0006130800000000, -0.0000176300000000, -0.0009207700000000 ] - [ -0.0006949200000000, -0.0003732500000000, -0.0005962600000000 ] - [ -0.0006130800000000, 0.0000176300000000, -0.0009207700000000 ] - [ 0.0515025300000000, 0.0000000000000000, -0.0071335700000000 ] - [ 0.0001278000000000, 0.0000000000000000, -0.0001536300000000 ] - [ 0.0014087800000000, -0.0002225700000000, -0.0002100800000000 ] - [ 0.0001441000000000, -0.0000001800000000, -0.0001548500000000 ] - [ 0.0014087800000000, 0.0002225700000000, -0.0002100800000000 ] - [ 0.0001441000000000, 0.0000001800000000, -0.0001548500000000 ] - [ -0.0003021700000000, -0.0003484300000000, 0.0004361900000000 ] - [ -0.0002722900000000, 0.0001090000000000, -0.0000015800000000 ] - [ 0.0000169400000000, 0.0000000000000000, 0.0002017200000000 ] - [ -0.0000921400000000, 0.0000000000000000, 0.0001078700000000 ] - [ -0.0003021700000000, 0.0003484300000000, 0.0004361900000000 ] - [ -0.0002722900000000, -0.0001090000000000, -0.0000015800000000 ] - [ -0.0077231300000000, 0.0000000000000000, -0.0031964200000000 ] - [ -0.0003343500000000, 0.0000000000000000, -0.0001709800000000 ] - [ 0.0000289300000000, 0.0002900600000000, -0.0003758700000000 ] - [ -0.0002918700000000, -0.0000269800000000, -0.0001681700000000 ] - [ 0.0000289300000000, -0.0002900600000000, -0.0003758700000000 ] - [ -0.0002918700000000, 0.0000269800000000, -0.0001681700000000 ] - [ -0.0000176100000000, 0.0000000000000000, -0.0013307100000000 ] - [ -0.0004850100000000, 0.0000000000000000, -0.0010419500000000 ] - [ -0.0001290300000000, 0.0001070200000000, -0.0012087200000000 ] - [ -0.0004732000000000, -0.0000022300000000, -0.0010466800000000 ] - [ -0.0001290300000000, -0.0001070200000000, -0.0012087200000000 ] - [ -0.0004732000000000, 0.0000022300000000, -0.0010466800000000 ] - [ 0.0001072000000000, 0.0000000000000000, 0.0000483400000000 ] - [ 0.0001119300000000, 0.0000000000000000, 0.0002960300000000 ] - [ 0.0001285100000000, -0.0001113200000000, 0.0000403300000000 ] - [ 0.0001335700000000, 0.0000989700000000, 0.0002639800000000 ] - [ 0.0001285100000000, 0.0001113200000000, 0.0000403300000000 ] - [ 0.0001335700000000, -0.0000989700000000, 0.0002639800000000 ] - [ 0.0006651600000000, 0.0000079600000000, -0.0001968400000000 ] - [ -0.0001645400000000, -0.0000023600000000, -0.0001473100000000 ] - [ 0.0004961300000000, 0.0000000000000000, -0.0001658500000000 ] - [ -0.0001568400000000, 0.0000000000000000, -0.0001430000000000 ] - [ 0.0006651600000000, -0.0000079600000000, -0.0001968400000000 ] - [ -0.0001645400000000, 0.0000023600000000, -0.0001473100000000 ] - [ -0.0000256100000000, -0.0003729000000000, 0.0007536900000000 ] - [ -0.0006653300000000, 0.0000074000000000, 0.0001570800000000 ] - [ -0.0000647200000000, 0.0000000000000000, 0.0001852400000000 ] - [ -0.0006258300000000, 0.0000000000000000, 0.0001652000000000 ] - [ -0.0000256100000000, 0.0003729000000000, 0.0007536900000000 ] - [ -0.0006653300000000, -0.0000074000000000, 0.0001570800000000 ] - [ -0.0003177000000000, 0.0000000000000000, 0.0010930700000000 ] - [ -0.0004798300000000, 0.0000000000000000, 0.0010119400000000 ] - [ -0.0002836700000000, -0.0001342400000000, 0.0010647400000000 ] - [ -0.0004339200000000, 0.0000369600000000, 0.0010301900000000 ] - [ -0.0002836700000000, 0.0001342400000000, 0.0010647400000000 ] - [ -0.0004339200000000, -0.0000369600000000, 0.0010301900000000 ] - [ -0.0035588200000000, 0.0052293300000000, 0.0028469500000000 ] - [ 0.0001247900000000, -0.0000124600000000, -0.0010384100000000 ] - [ 0.0005954300000000, 0.0000000000000000, -0.0010768000000000 ] - [ 0.0001514700000000, 0.0000000000000000, -0.0010338400000000 ] - [ -0.0035588200000000, -0.0052293300000000, 0.0028469500000000 ] - [ 0.0001247900000000, 0.0000124600000000, -0.0010384100000000 ] - [ -0.0002565000000000, -0.0006522300000000, 0.0006099600000000 ] - [ 0.0001027300000000, 0.0000203200000000, 0.0010569200000000 ] - [ 0.0003970300000000, 0.0000000000000000, 0.0010051200000000 ] - [ 0.0001547900000000, 0.0000000000000000, 0.0010250200000000 ] - [ -0.0002565000000000, 0.0006522300000000, 0.0006099600000000 ] - [ 0.0001027300000000, -0.0000203200000000, 0.0010569200000000 ] - [ -0.0000039500000000, 0.0000000000000000, -0.0002996700000000 ] - [ -0.0002980500000000, 0.0000000000000000, 0.0002073400000000 ] - [ 0.0000918600000000, -0.0001862700000000, -0.0000635600000000 ] - [ -0.0002861300000000, 0.0000064100000000, 0.0002066400000000 ] - [ 0.0000918600000000, 0.0001862700000000, -0.0000635600000000 ] - [ -0.0002861300000000, -0.0000064100000000, 0.0002066400000000 ] - [ -0.0003053700000000, 0.0000529300000000, -0.0001224800000000 ] - [ -0.0006318200000000, -0.0000156300000000, -0.0001790200000000 ] - [ -0.0003566600000000, 0.0000000000000000, -0.0000942400000000 ] - [ -0.0005994800000000, 0.0000000000000000, -0.0001754800000000 ] - [ -0.0003053700000000, -0.0000529300000000, -0.0001224800000000 ] - [ -0.0006318200000000, 0.0000156300000000, -0.0001790200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001977600000000, 0.0000668000000000, -0.0002679200000000 ] - [ -0.0001027000000000, 0.0000211300000000, -0.0002353300000000 ] - [ -0.0001363000000000, -0.0001330200000000, -0.0002298500000000 ] - [ -0.0001360500000000, -0.0000424400000000, -0.0002294300000000 ] - [ -0.0000747700000000, 0.0000662700000000, -0.0001912200000000 ] - [ -0.0001694800000000, 0.0000209600000000, -0.0002235300000000 ] - [ 0.0001295500000000, 0.0006241200000000, -0.0002260200000000 ] - [ 0.0001359300000000, 0.0000227900000000, -0.0002292800000000 ] - [ -0.0002540400000000, -0.0003491700000000, -0.0000531100000000 ] - [ 0.0001485200000000, -0.0000113000000000, -0.0002263900000000 ] - [ 0.0005241200000000, -0.0003493000000000, -0.0004040700000000 ] - [ 0.0001234800000000, -0.0000114800000000, -0.0002320900000000 ] - [ -0.0015984300000000, 0.0029298800000000, -0.0021951500000000 ] - [ -0.0001383400000000, 0.0000042900000000, 0.0002299500000000 ] - [ -0.0001351400000000, -0.0006306400000000, 0.0002303300000000 ] - [ -0.0001361500000000, -0.0000088900000000, 0.0002293800000000 ] - [ 0.0012700000000000, 0.0028634100000000, 0.0025610000000000 ] - [ -0.0001341600000000, 0.0000043100000000, 0.0002288500000000 ] - [ -0.0001153500000000, 0.0000927100000000, -0.0000640500000000 ] - [ -0.0001153500000000, 0.0000409100000000, -0.0000631100000000 ] - [ -0.0000120400000000, -0.0000495800000000, -0.0000015700000000 ] - [ -0.0001454900000000, -0.0000206600000000, -0.0000583900000000 ] - [ -0.0002179300000000, -0.0000498600000000, -0.0001244300000000 ] - [ -0.0000852900000000, -0.0000206800000000, -0.0000677200000000 ] - [ 0.0007247400000000, 0.0034691300000000, 0.0031194600000000 ] - [ 0.0001200700000000, 0.0000051800000000, -0.0000632200000000 ] - [ 0.0001155200000000, -0.0005900800000000, -0.0000640800000000 ] - [ 0.0001154300000000, -0.0000104400000000, -0.0000628100000000 ] - [ -0.0004611500000000, 0.0033960100000000, -0.0031280100000000 ] - [ 0.0001107000000000, 0.0000052100000000, -0.0000625100000000 ] - [ 0.0001359700000000, 0.0004362500000000, 0.0002309900000000 ] - [ 0.0001359800000000, 0.0000135200000000, 0.0002298200000000 ] - [ 0.0002252200000000, -0.0002127200000000, 0.0000482900000000 ] - [ 0.0001174300000000, -0.0000067000000000, 0.0002217300000000 ] - [ 0.0000473600000000, -0.0002134900000000, 0.0004119900000000 ] - [ 0.0001543200000000, -0.0000067100000000, 0.0002380500000000 ] - [ 0.0000240700000000, 0.0000289400000000, 0.0000749500000000 ] - [ 0.0003687200000000, 0.0001097500000000, 0.0001365500000000 ] - [ 0.0001147600000000, -0.0000561600000000, 0.0000633100000000 ] - [ 0.0001155200000000, -0.0001876500000000, 0.0000630100000000 ] - [ 0.0002061600000000, 0.0000287300000000, 0.0000517100000000 ] - [ -0.0001403300000000, 0.0001075400000000, -0.0000096300000000 ] - [ -0.0001154000000000, 0.0002527200000000, 0.0000629200000000 ] - [ -0.0001157400000000, 0.0000072200000000, 0.0000631800000000 ] - [ -0.0001375200000000, -0.0001266300000000, 0.0000639700000000 ] - [ -0.0001115600000000, -0.0000037400000000, 0.0000615700000000 ] - [ -0.0000933800000000, -0.0001267300000000, 0.0000620600000000 ] - [ -0.0001197800000000, -0.0000037900000000, 0.0000647900000000 ] - [ 0.0005572000000000, 0.0000550900000000, -0.0008053900000000 ] - [ 0.0007812500000000, 0.0000220500000000, -0.0008779700000000 ] - [ 0.0007717200000000, -0.0000690900000000, -0.0008974100000000 ] - [ 0.0007696600000000, -0.0000027800000000, -0.0008959300000000 ] - [ 0.0009842000000000, 0.0000543300000000, -0.0009948400000000 ] - [ 0.0007575400000000, 0.0000218300000000, -0.0009196200000000 ] - [ -0.0007174500000000, -0.0006872400000000, 0.0008847600000000 ] - [ -0.0007712600000000, -0.0000024300000000, 0.0008945300000000 ] - [ -0.0003541900000000, -0.0006577100000000, 0.0008622900000000 ] - [ -0.0007739400000000, -0.0000196200000000, 0.0008888700000000 ] - [ -0.0011790400000000, -0.0006591700000000, 0.0009337600000000 ] - [ -0.0007683900000000, -0.0000199800000000, 0.0008995200000000 ] - [ 0.0008431200000000, 0.0001093900000000, 0.0007470300000000 ] - [ 0.0007656900000000, -0.0000112700000000, 0.0008931300000000 ] - [ 0.0007720400000000, -0.0002926200000000, 0.0008995300000000 ] - [ 0.0007715200000000, -0.0000198100000000, 0.0008984000000000 ] - [ 0.0006995600000000, 0.0001094300000000, 0.0010597900000000 ] - [ 0.0007777600000000, -0.0000111100000000, 0.0009037900000000 ] - [ -0.0007711800000000, 0.0003824100000000, -0.0008986800000000 ] - [ -0.0007726100000000, 0.0000360100000000, -0.0008961100000000 ] - [ -0.0008460800000000, -0.0001684200000000, -0.0008638500000000 ] - [ -0.0007262400000000, 0.0000036900000000, -0.0008796700000000 ] - [ -0.0006953100000000, -0.0001690300000000, -0.0009338700000000 ] - [ -0.0008163900000000, 0.0000035100000000, -0.0009230700000000 ] - [ 0.0003726600000000, -0.0187178800000000, -0.0001881400000000 ] - [ 0.0003999100000000, -0.0000070600000000, -0.0001642300000000 ] - [ 0.0001789800000000, 0.0016166700000000, -0.0001025100000000 ] - [ 0.0003996900000000, 0.0000034300000000, -0.0001637700000000 ] - [ 0.0006202700000000, 0.0015966900000000, -0.0002262800000000 ] - [ 0.0004050300000000, 0.0000033400000000, -0.0001664700000000 ] - [ 0.0001349500000000, -0.0000661600000000, 0.0001337600000000 ] - [ 0.0000185000000000, -0.0000252000000000, 0.0001315800000000 ] - [ 0.0000614900000000, 0.0000968600000000, 0.0001620900000000 ] - [ 0.0000585200000000, 0.0000477200000000, 0.0001588900000000 ] - [ -0.0000163500000000, -0.0000658600000000, 0.0001855700000000 ] - [ 0.0001018900000000, -0.0000243900000000, 0.0001901300000000 ] - [ -0.0000471100000000, -0.0009169400000000, -0.0001588800000000 ] - [ -0.0000589900000000, -0.0000252800000000, -0.0001589400000000 ] - [ -0.0003799300000000, 0.0002775400000000, -0.0002009900000000 ] - [ -0.0000439900000000, 0.0000125200000000, -0.0001592600000000 ] - [ 0.0002592400000000, 0.0002780600000000, -0.0001181400000000 ] - [ -0.0000767200000000, 0.0000123900000000, -0.0001624300000000 ] - [ -0.0003157100000000, -0.0004516000000000, -0.0010422600000000 ] - [ -0.0003156300000000, -0.0000104300000000, -0.0010432300000000 ] - [ -0.0003967800000000, 0.0003113600000000, -0.0012590100000000 ] - [ -0.0003122100000000, 0.0000044500000000, -0.0010439700000000 ] - [ -0.0002347800000000, 0.0003110900000000, -0.0008268800000000 ] - [ -0.0003190300000000, 0.0000057700000000, -0.0010419100000000 ] - [ 0.0004027000000000, -0.0000998000000000, 0.0001652700000000 ] - [ 0.0004012400000000, -0.0000996900000000, 0.0001645500000000 ] - [ 0.0005012000000000, 0.0000554700000000, 0.0001910400000000 ] - [ 0.0002895100000000, 0.0000552200000000, 0.0001769400000000 ] - [ 0.0003019900000000, 0.0000555200000000, 0.0001388100000000 ] - [ 0.0005133900000000, 0.0000556700000000, 0.0001527400000000 ] - [ -0.0000815900000000, -0.0001052700000000, 0.0001741600000000 ] - [ 0.0000623700000000, -0.0000041400000000, -0.0001585100000000 ] - [ 0.0000606300000000, 0.0001991100000000, -0.0001614500000000 ] - [ 0.0000599900000000, 0.0000080100000000, -0.0001607400000000 ] - [ 0.0002015400000000, -0.0001047200000000, -0.0004964000000000 ] - [ 0.0000568900000000, -0.0000041700000000, -0.0001617700000000 ] - [ -0.0000274700000000, -0.0000436100000000, -0.0002824700000000 ] - [ -0.0004081000000000, -0.0000041300000000, 0.0001629200000000 ] - [ -0.0004032900000000, 0.0001976200000000, 0.0001655100000000 ] - [ -0.0003988400000000, 0.0000078500000000, 0.0001645500000000 ] - [ -0.0007723300000000, -0.0000422100000000, 0.0006121300000000 ] - [ -0.0003943400000000, -0.0000039200000000, 0.0001676400000000 ] - [ -0.0003156100000000, -0.0001929100000000, 0.0010441000000000 ] - [ -0.0003150900000000, -0.0000282700000000, 0.0010430800000000 ] - [ -0.0002486000000000, 0.0001008500000000, 0.0010287100000000 ] - [ -0.0003326600000000, 0.0000153200000000, 0.0010419400000000 ] - [ -0.0003814000000000, 0.0001072000000000, 0.0010562200000000 ] - [ -0.0002983400000000, 0.0000126600000000, 0.0010463300000000 ] - [ -0.0019434400000000, 0.0025755800000000, 0.0011210800000000 ] - [ 0.0003274000000000, -0.0000078200000000, -0.0010424400000000 ] - [ 0.0003143400000000, 0.0006670500000000, -0.0010420400000000 ] - [ 0.0003148000000000, 0.0000114400000000, -0.0010412700000000 ] - [ 0.0025686800000000, 0.0025850400000000, -0.0032044300000000 ] - [ 0.0003028300000000, -0.0000036400000000, -0.0010423800000000 ] - [ 0.0007964600000000, -0.0000420900000000, 0.0011718200000000 ] - [ 0.0002875200000000, -0.0000205400000000, 0.0010494600000000 ] - [ 0.0003157600000000, 0.0002478000000000, 0.0010426200000000 ] - [ 0.0003155000000000, 0.0000405100000000, 0.0010432000000000 ] - [ -0.0001658700000000, -0.0000419300000000, 0.0009128800000000 ] - [ 0.0003439600000000, -0.0000193300000000, 0.0010373100000000 ] - [ -0.0000602300000000, -0.0004247500000000, 0.0001602800000000 ] - [ -0.0000594100000000, -0.0000137600000000, 0.0001596700000000 ] - [ 0.0002452100000000, 0.0003059600000000, 0.0003182200000000 ] - [ -0.0000798500000000, 0.0000066100000000, 0.0001652300000000 ] - [ -0.0003620600000000, 0.0003051200000000, 0.0000020500000000 ] - [ -0.0000394500000000, 0.0000067100000000, 0.0001547200000000 ] - [ -0.0004554500000000, -0.0000618900000000, -0.0001305100000000 ] - [ -0.0003857000000000, -0.0000088900000000, -0.0001603700000000 ] - [ -0.0004033300000000, 0.0001377800000000, -0.0001655800000000 ] - [ -0.0004018200000000, 0.0000175400000000, -0.0001647700000000 ] - [ -0.0003503500000000, -0.0000616100000000, -0.0001998800000000 ] - [ -0.0004163200000000, -0.0000090200000000, -0.0001688400000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002687700000000, -0.0000375600000000, -0.0004536900000000 ] - [ -0.0001180100000000, 0.0000027200000000, -0.0002857700000000 ] - [ -0.0002264900000000, 0.0000000000000000, -0.0003922700000000 ] - [ -0.0001234500000000, 0.0000000000000000, -0.0002789700000000 ] - [ -0.0002687700000000, 0.0000375600000000, -0.0004536900000000 ] - [ -0.0001180100000000, -0.0000027200000000, -0.0002857700000000 ] - [ -0.0011866000000000, 0.0000000000000000, 0.0012289100000000 ] - [ 0.0001229900000000, 0.0000000000000000, -0.0001994800000000 ] - [ 0.0002591200000000, 0.0002423700000000, 0.0000451100000000 ] - [ 0.0001329100000000, 0.0000061600000000, -0.0002024300000000 ] - [ 0.0002591200000000, -0.0002423700000000, 0.0000451100000000 ] - [ 0.0001329100000000, -0.0000061600000000, -0.0002024300000000 ] - [ 0.0011009900000000, -0.0020863200000000, 0.0033597000000000 ] - [ -0.0001232900000000, 0.0000023600000000, 0.0002382900000000 ] - [ -0.0001716000000000, 0.0000000000000000, 0.0004270100000000 ] - [ -0.0001248100000000, 0.0000000000000000, 0.0002370900000000 ] - [ 0.0011009900000000, 0.0020863200000000, 0.0033597000000000 ] - [ -0.0001232900000000, -0.0000023600000000, 0.0002382900000000 ] - [ -0.0003135100000000, 0.0000000000000000, -0.0002002200000000 ] - [ 0.0000267100000000, 0.0000000000000000, -0.0001139900000000 ] - [ -0.0002038000000000, 0.0000416800000000, -0.0000808800000000 ] - [ -0.0000205300000000, 0.0000302200000000, -0.0000929600000000 ] - [ -0.0002038000000000, -0.0000416800000000, -0.0000808800000000 ] - [ -0.0000205300000000, -0.0000302200000000, -0.0000929600000000 ] - [ 0.0007511000000000, 0.0033971400000000, 0.0042641100000000 ] - [ 0.0001324300000000, 0.0000008100000000, -0.0000601100000000 ] - [ 0.0001195200000000, 0.0000000000000000, 0.0000222300000000 ] - [ 0.0001332100000000, 0.0000000000000000, -0.0000603600000000 ] - [ 0.0007511000000000, -0.0033971400000000, 0.0042641100000000 ] - [ 0.0001324300000000, -0.0000008100000000, -0.0000601100000000 ] - [ 0.0003845200000000, 0.0000000000000000, -0.0002122000000000 ] - [ 0.0001049200000000, 0.0000000000000000, 0.0001977100000000 ] - [ 0.0002247400000000, -0.0001454900000000, -0.0000823200000000 ] - [ 0.0001135300000000, -0.0000003300000000, 0.0002035500000000 ] - [ 0.0002247400000000, 0.0001454900000000, -0.0000823200000000 ] - [ 0.0001135300000000, 0.0000003300000000, 0.0002035500000000 ] - [ 0.0000786600000000, 0.0000046300000000, 0.0002041700000000 ] - [ 0.0002530000000000, 0.0001016000000000, 0.0003533100000000 ] - [ 0.0000799000000000, 0.0000000000000000, 0.0001482600000000 ] - [ 0.0001615800000000, 0.0000000000000000, 0.0001656900000000 ] - [ 0.0000786600000000, -0.0000046300000000, 0.0002041700000000 ] - [ 0.0002530000000000, -0.0001016000000000, 0.0003533100000000 ] - [ -0.0001300600000000, 0.0000000000000000, -0.0006716500000000 ] - [ -0.0001109000000000, 0.0000000000000000, 0.0000470100000000 ] - [ -0.0001532800000000, 0.0000639100000000, -0.0003196400000000 ] - [ -0.0001079700000000, 0.0000018400000000, 0.0000487100000000 ] - [ -0.0001532800000000, -0.0000639100000000, -0.0003196400000000 ] - [ -0.0001079700000000, -0.0000018400000000, 0.0000487100000000 ] - [ 0.0011382300000000, 0.0000451400000000, -0.0010350300000000 ] - [ 0.0007574300000000, 0.0000049500000000, -0.0009146600000000 ] - [ 0.0007972300000000, 0.0000000000000000, -0.0008573600000000 ] - [ 0.0007672100000000, 0.0000000000000000, -0.0008999000000000 ] - [ 0.0011382300000000, -0.0000451400000000, -0.0010350300000000 ] - [ 0.0007574300000000, -0.0000049500000000, -0.0009146600000000 ] - [ -0.0072280800000000, 0.0000000000000000, 0.0018200100000000 ] - [ -0.0007572000000000, 0.0000000000000000, 0.0009223000000000 ] - [ -0.0008901000000000, -0.0004027600000000, 0.0013709700000000 ] - [ -0.0007594400000000, -0.0000006400000000, 0.0009165200000000 ] - [ -0.0008901000000000, 0.0004027600000000, 0.0013709700000000 ] - [ -0.0007594400000000, 0.0000006400000000, 0.0009165200000000 ] - [ 0.0008258100000000, 0.0001331100000000, 0.0005681800000000 ] - [ 0.0007773600000000, 0.0000012800000000, 0.0008953000000000 ] - [ 0.0007378300000000, 0.0000000000000000, 0.0006812500000000 ] - [ 0.0007772400000000, 0.0000000000000000, 0.0008940400000000 ] - [ 0.0008258100000000, -0.0001331100000000, 0.0005681800000000 ] - [ 0.0007773600000000, -0.0000012800000000, 0.0008953000000000 ] - [ -0.0009704700000000, 0.0000000000000000, -0.0007707100000000 ] - [ -0.0007199700000000, 0.0000000000000000, -0.0008928400000000 ] - [ -0.0008685700000000, -0.0000471400000000, -0.0008600500000000 ] - [ -0.0007200300000000, 0.0000034700000000, -0.0008912200000000 ] - [ -0.0008685700000000, 0.0000471400000000, -0.0008600500000000 ] - [ -0.0007200300000000, -0.0000034700000000, -0.0008912200000000 ] - [ 0.0071635200000000, 0.0000000000000000, -0.0231224300000000 ] - [ 0.0003990700000000, 0.0000000000000000, -0.0001773000000000 ] - [ 0.0004569400000000, -0.0000646000000000, -0.0009191400000000 ] - [ 0.0004000500000000, -0.0000004600000000, -0.0001760400000000 ] - [ 0.0004569400000000, 0.0000646000000000, -0.0009191400000000 ] - [ 0.0004000500000000, 0.0000004600000000, -0.0001760400000000 ] - [ -0.0001913700000000, -0.0001666200000000, 0.0001649600000000 ] - [ 0.0001315700000000, -0.0000304100000000, 0.0001506600000000 ] - [ 0.0000242300000000, 0.0000000000000000, 0.0001161100000000 ] - [ 0.0000849600000000, 0.0000000000000000, 0.0001486300000000 ] - [ -0.0001913700000000, 0.0001666200000000, 0.0001649600000000 ] - [ 0.0001315700000000, 0.0000304100000000, 0.0001506600000000 ] - [ 0.0017470100000000, 0.0000000000000000, 0.0006210300000000 ] - [ -0.0001029800000000, 0.0000000000000000, -0.0002158400000000 ] - [ 0.0000678600000000, -0.0001500800000000, -0.0006467400000000 ] - [ -0.0000909900000000, -0.0000047900000000, -0.0002060400000000 ] - [ 0.0000678600000000, 0.0001500800000000, -0.0006467400000000 ] - [ -0.0000909900000000, 0.0000047900000000, -0.0002060400000000 ] - [ -0.0000737000000000, 0.0000000000000000, -0.0003571800000000 ] - [ -0.0003334800000000, 0.0000000000000000, -0.0010296400000000 ] - [ -0.0002110800000000, -0.0002303200000000, -0.0006541500000000 ] - [ -0.0003307200000000, -0.0000007900000000, -0.0010322000000000 ] - [ -0.0002110800000000, 0.0002303200000000, -0.0006541500000000 ] - [ -0.0003307200000000, 0.0000007900000000, -0.0010322000000000 ] - [ 0.0005424100000000, 0.0000000000000000, 0.0001508200000000 ] - [ 0.0002948200000000, 0.0000000000000000, 0.0001506900000000 ] - [ 0.0005096500000000, 0.0000120100000000, 0.0001673700000000 ] - [ 0.0002859400000000, 0.0000258800000000, 0.0001672800000000 ] - [ 0.0005096500000000, -0.0000120100000000, 0.0001673700000000 ] - [ 0.0002859400000000, -0.0000258800000000, 0.0001672800000000 ] - [ -0.0001185300000000, 0.0000120000000000, 0.0005037300000000 ] - [ 0.0000631900000000, -0.0000000700000000, -0.0001530400000000 ] - [ 0.0000424800000000, 0.0000000000000000, 0.0001200500000000 ] - [ 0.0000616500000000, 0.0000000000000000, -0.0001532600000000 ] - [ -0.0001185300000000, -0.0000120000000000, 0.0005037300000000 ] - [ 0.0000631900000000, 0.0000000700000000, -0.0001530400000000 ] - [ -0.0009982000000000, -0.0004466300000000, 0.0008762200000000 ] - [ -0.0004027800000000, -0.0000022200000000, 0.0001634300000000 ] - [ -0.0004312400000000, 0.0000000000000000, 0.0001676200000000 ] - [ -0.0004105300000000, 0.0000000000000000, 0.0001622500000000 ] - [ -0.0009982000000000, 0.0004466300000000, 0.0008762200000000 ] - [ -0.0004027800000000, 0.0000022200000000, 0.0001634300000000 ] - [ -0.0004606100000000, 0.0000000000000000, 0.0012943500000000 ] - [ -0.0002910700000000, 0.0000000000000000, 0.0010635200000000 ] - [ -0.0004199900000000, -0.0001585500000000, 0.0012182500000000 ] - [ -0.0003099900000000, -0.0000072200000000, 0.0010583400000000 ] - [ -0.0004199900000000, 0.0001585500000000, 0.0012182500000000 ] - [ -0.0003099900000000, 0.0000072200000000, 0.0010583400000000 ] - [ -0.0024693300000000, 0.0037418600000000, 0.0005630800000000 ] - [ 0.0003237100000000, -0.0000002100000000, -0.0010532100000000 ] - [ 0.0003282800000000, 0.0000000000000000, -0.0011436500000000 ] - [ 0.0003223300000000, 0.0000000000000000, -0.0010516900000000 ] - [ -0.0024693300000000, -0.0037418600000000, 0.0005630800000000 ] - [ 0.0003237100000000, 0.0000002100000000, -0.0010532100000000 ] - [ 0.0005589000000000, 0.0000595200000000, 0.0007102500000000 ] - [ 0.0002889300000000, -0.0000001000000000, 0.0010156500000000 ] - [ 0.0003433500000000, 0.0000000000000000, 0.0009094100000000 ] - [ 0.0002904200000000, 0.0000000000000000, 0.0010141700000000 ] - [ 0.0005589000000000, -0.0000595200000000, 0.0007102500000000 ] - [ 0.0002889300000000, 0.0000001000000000, 0.0010156500000000 ] - [ 0.0005459400000000, 0.0000000000000000, 0.0006486200000000 ] - [ -0.0000976500000000, 0.0000000000000000, 0.0001882100000000 ] - [ 0.0003489200000000, 0.0003031300000000, 0.0004340200000000 ] - [ -0.0000994600000000, -0.0000010800000000, 0.0001869900000000 ] - [ 0.0003489200000000, -0.0003031300000000, 0.0004340200000000 ] - [ -0.0000994600000000, 0.0000010800000000, 0.0001869900000000 ] - [ -0.0003688400000000, -0.0000345500000000, 0.0000529900000000 ] - [ -0.0004246100000000, -0.0000043700000000, -0.0001029700000000 ] - [ -0.0003400000000000, 0.0000000000000000, 0.0000083000000000 ] - [ -0.0004214900000000, 0.0000000000000000, -0.0001120600000000 ] - [ -0.0003688400000000, 0.0000345500000000, 0.0000529900000000 ] - [ -0.0004246100000000, 0.0000043700000000, -0.0001029700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000044700000000, 0.0000376600000000, -0.0000043000000000 ] - [ -0.0001541300000000, -0.0000024800000000, -0.0001716900000000 ] - [ -0.0000465900000000, 0.0000000000000000, -0.0000660900000000 ] - [ -0.0001485400000000, 0.0000000000000000, -0.0001787600000000 ] - [ -0.0000044700000000, -0.0000376600000000, -0.0000043000000000 ] - [ -0.0001541300000000, 0.0000024800000000, -0.0001716900000000 ] - [ 0.0015037900000000, 0.0000000000000000, -0.0016970700000000 ] - [ 0.0001486800000000, 0.0000000000000000, -0.0002586200000000 ] - [ 0.0000141200000000, -0.0002420200000000, -0.0005041100000000 ] - [ 0.0001390100000000, -0.0000060000000000, -0.0002554600000000 ] - [ 0.0000141200000000, 0.0002420200000000, -0.0005041100000000 ] - [ 0.0001390100000000, 0.0000060000000000, -0.0002554600000000 ] - [ -0.0014349200000000, 0.0021890900000000, -0.0029852400000000 ] - [ -0.0001493500000000, -0.0000023900000000, 0.0002199300000000 ] - [ -0.0001003200000000, 0.0000000000000000, 0.0000289100000000 ] - [ -0.0001476500000000, 0.0000000000000000, 0.0002209600000000 ] - [ -0.0014349200000000, -0.0021890900000000, -0.0029852400000000 ] - [ -0.0001493500000000, 0.0000023900000000, 0.0002199300000000 ] - [ 0.0000847000000000, 0.0000000000000000, 0.0000719700000000 ] - [ -0.0002564300000000, 0.0000000000000000, -0.0000111600000000 ] - [ -0.0000244100000000, -0.0000413600000000, -0.0000447700000000 ] - [ -0.0002091700000000, -0.0000302600000000, -0.0000321100000000 ] - [ -0.0000244100000000, 0.0000413600000000, -0.0000447700000000 ] - [ -0.0002091700000000, 0.0000302600000000, -0.0000321100000000 ] - [ -0.0004771400000000, -0.0032493600000000, -0.0042504700000000 ] - [ 0.0000962800000000, -0.0000007800000000, -0.0000647300000000 ] - [ 0.0001117900000000, 0.0000000000000000, -0.0001447000000000 ] - [ 0.0000956000000000, 0.0000000000000000, -0.0000645700000000 ] - [ -0.0004771400000000, 0.0032493600000000, -0.0042504700000000 ] - [ 0.0000962800000000, 0.0000007800000000, -0.0000647300000000 ] - [ -0.0001102700000000, 0.0000000000000000, 0.0006744800000000 ] - [ 0.0001669300000000, 0.0000000000000000, 0.0002608600000000 ] - [ 0.0000484700000000, 0.0001462300000000, 0.0005430100000000 ] - [ 0.0001582300000000, 0.0000003600000000, 0.0002551000000000 ] - [ 0.0000484700000000, -0.0001462300000000, 0.0005430100000000 ] - [ 0.0001582300000000, -0.0000003600000000, 0.0002551000000000 ] - [ 0.0001501100000000, -0.0000045700000000, -0.0000787400000000 ] - [ -0.0000272200000000, -0.0000987400000000, -0.0002272800000000 ] - [ 0.0001484300000000, 0.0000000000000000, -0.0000227000000000 ] - [ 0.0000673200000000, 0.0000000000000000, -0.0000406700000000 ] - [ 0.0001501100000000, 0.0000045700000000, -0.0000787400000000 ] - [ -0.0000272200000000, 0.0000987400000000, -0.0002272800000000 ] - [ -0.0000991800000000, 0.0000000000000000, 0.0007980000000000 ] - [ -0.0001187000000000, 0.0000000000000000, 0.0000783100000000 ] - [ -0.0000755400000000, -0.0000644900000000, 0.0004448900000000 ] - [ -0.0001215800000000, -0.0000018300000000, 0.0000767600000000 ] - [ -0.0000755400000000, 0.0000644900000000, 0.0004448900000000 ] - [ -0.0001215800000000, 0.0000018300000000, 0.0000767600000000 ] - [ 0.0003982700000000, -0.0000450700000000, -0.0007722200000000 ] - [ 0.0007792500000000, -0.0000048500000000, -0.0008885100000000 ] - [ 0.0007388900000000, 0.0000000000000000, -0.0009595600000000 ] - [ 0.0007705000000000, 0.0000000000000000, -0.0008991700000000 ] - [ 0.0003982700000000, 0.0000450700000000, -0.0007722200000000 ] - [ 0.0007792500000000, 0.0000048500000000, -0.0008885100000000 ] - [ 0.0055887300000000, 0.0000000000000000, -0.0000823500000000 ] - [ -0.0007805000000000, 0.0000000000000000, 0.0008843300000000 ] - [ -0.0006488000000000, 0.0004052100000000, 0.0004330000000000 ] - [ -0.0007789200000000, 0.0000005800000000, 0.0008865500000000 ] - [ -0.0006488000000000, -0.0004052100000000, 0.0004330000000000 ] - [ -0.0007789200000000, -0.0000005800000000, 0.0008865500000000 ] - [ 0.0007134300000000, -0.0001337900000000, 0.0012424000000000 ] - [ 0.0007624200000000, -0.0000014000000000, 0.0009069200000000 ] - [ 0.0008040100000000, 0.0000000000000000, 0.0011266300000000 ] - [ 0.0007633200000000, 0.0000000000000000, 0.0009085400000000 ] - [ 0.0007134300000000, 0.0001337900000000, 0.0012424000000000 ] - [ 0.0007624200000000, 0.0000014000000000, 0.0009069200000000 ] - [ -0.0005709800000000, 0.0000000000000000, -0.0010347400000000 ] - [ -0.0008199100000000, 0.0000000000000000, -0.0009149800000000 ] - [ -0.0006717700000000, 0.0000478000000000, -0.0009470000000000 ] - [ -0.0008203000000000, -0.0000028800000000, -0.0009156400000000 ] - [ -0.0006717700000000, -0.0000478000000000, -0.0009470000000000 ] - [ -0.0008203000000000, 0.0000028800000000, -0.0009156400000000 ] - [ -0.0062837400000000, 0.0000000000000000, 0.0227458800000000 ] - [ 0.0004124400000000, 0.0000000000000000, -0.0001499900000000 ] - [ 0.0003557000000000, 0.0000594000000000, 0.0005907200000000 ] - [ 0.0004145100000000, 0.0000004700000000, -0.0001522500000000 ] - [ 0.0003557000000000, -0.0000594000000000, 0.0005907200000000 ] - [ 0.0004145100000000, -0.0000004700000000, -0.0001522500000000 ] - [ 0.0003241100000000, 0.0001669400000000, 0.0001653700000000 ] - [ -0.0000001300000000, 0.0000298100000000, 0.0001782400000000 ] - [ 0.0001095500000000, 0.0000000000000000, 0.0002161200000000 ] - [ 0.0000459000000000, 0.0000000000000000, 0.0001803000000000 ] - [ 0.0003241100000000, -0.0001669400000000, 0.0001653700000000 ] - [ -0.0000001300000000, -0.0000298100000000, 0.0001782400000000 ] - [ -0.0018508900000000, 0.0000000000000000, -0.0009259800000000 ] - [ -0.0000281400000000, 0.0000000000000000, -0.0001133600000000 ] - [ -0.0002026300000000, 0.0001500100000000, 0.0003179400000000 ] - [ -0.0000419600000000, 0.0000047900000000, -0.0001254500000000 ] - [ -0.0002026300000000, -0.0001500100000000, 0.0003179400000000 ] - [ -0.0000419600000000, -0.0000047900000000, -0.0001254500000000 ] - [ -0.0005619400000000, 0.0000000000000000, -0.0017268800000000 ] - [ -0.0002981900000000, 0.0000000000000000, -0.0010503800000000 ] - [ -0.0004230100000000, 0.0002312000000000, -0.0014301500000000 ] - [ -0.0003015100000000, 0.0000035200000000, -0.0010492800000000 ] - [ -0.0004230100000000, -0.0002312000000000, -0.0014301500000000 ] - [ -0.0003015100000000, -0.0000035200000000, -0.0010492800000000 ] - [ 0.0002699700000000, 0.0000000000000000, 0.0001765000000000 ] - [ 0.0005236100000000, 0.0000000000000000, 0.0001770300000000 ] - [ 0.0003009600000000, -0.0000121800000000, 0.0001594200000000 ] - [ 0.0005291400000000, -0.0000262800000000, 0.0001602900000000 ] - [ 0.0003009600000000, 0.0000121800000000, 0.0001594200000000 ] - [ 0.0005291400000000, 0.0000262800000000, 0.0001602900000000 ] - [ 0.0002492200000000, -0.0000116500000000, -0.0008340700000000 ] - [ 0.0000723600000000, -0.0000000900000000, -0.0001803100000000 ] - [ 0.0000902600000000, 0.0000000000000000, -0.0004522000000000 ] - [ 0.0000711900000000, 0.0000000000000000, -0.0001769300000000 ] - [ 0.0002492200000000, 0.0000116500000000, -0.0008340700000000 ] - [ 0.0000723600000000, 0.0000000900000000, -0.0001803100000000 ] - [ 0.0001902200000000, 0.0004490600000000, -0.0005497900000000 ] - [ -0.0004053800000000, 0.0000021400000000, 0.0001639200000000 ] - [ -0.0003825100000000, 0.0000000000000000, 0.0001621500000000 ] - [ -0.0003987500000000, 0.0000000000000000, 0.0001656500000000 ] - [ 0.0001902200000000, -0.0004490600000000, -0.0005497900000000 ] - [ -0.0004053800000000, -0.0000021400000000, 0.0001639200000000 ] - [ -0.0001715500000000, 0.0000000000000000, 0.0007900800000000 ] - [ -0.0003421100000000, 0.0000000000000000, 0.0010238100000000 ] - [ -0.0002123100000000, 0.0001581700000000, 0.0008660800000000 ] - [ -0.0003235600000000, 0.0000065600000000, 0.0010292700000000 ] - [ -0.0002123100000000, -0.0001581700000000, 0.0008660800000000 ] - [ -0.0003235600000000, -0.0000065600000000, 0.0010292700000000 ] - [ 0.0030995700000000, -0.0037324500000000, -0.0026553100000000 ] - [ 0.0003094800000000, -0.0000020000000000, -0.0010295400000000 ] - [ 0.0003041600000000, 0.0000000000000000, -0.0009384300000000 ] - [ 0.0003104300000000, 0.0000000000000000, -0.0010301300000000 ] - [ 0.0030995700000000, 0.0037324500000000, -0.0026553100000000 ] - [ 0.0003094800000000, 0.0000020000000000, -0.0010295400000000 ] - [ 0.0000727800000000, -0.0000601800000000, 0.0013725400000000 ] - [ 0.0003446800000000, 0.0000003500000000, 0.0010677000000000 ] - [ 0.0002904100000000, 0.0000000000000000, 0.0011750800000000 ] - [ 0.0003430300000000, 0.0000000000000000, 0.0010693100000000 ] - [ 0.0000727800000000, 0.0000601800000000, 0.0013725400000000 ] - [ 0.0003446800000000, -0.0000003500000000, 0.0010677000000000 ] - [ -0.0006746300000000, 0.0000000000000000, -0.0003184300000000 ] - [ -0.0000381800000000, 0.0000000000000000, 0.0001453500000000 ] - [ -0.0004763800000000, -0.0003008100000000, -0.0001039700000000 ] - [ -0.0000343800000000, 0.0000010800000000, 0.0001445300000000 ] - [ -0.0004763800000000, 0.0003008100000000, -0.0001039700000000 ] - [ -0.0000343800000000, -0.0000010800000000, 0.0001445300000000 ] - [ -0.0004457700000000, 0.0000343400000000, -0.0003814800000000 ] - [ -0.0003914300000000, 0.0000043700000000, -0.0002255200000000 ] - [ -0.0004750000000000, 0.0000000000000000, -0.0003371200000000 ] - [ -0.0003912500000000, 0.0000000000000000, -0.0002156300000000 ] - [ -0.0004457700000000, -0.0000343400000000, -0.0003814800000000 ] - [ -0.0003914300000000, -0.0000043700000000, -0.0002255200000000 ]- atom: 79 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004515700000000, 0.0000000000000000, -0.0004154100000000 ] - [ -0.0003378600000000, 0.0000000000000000, -0.0002457500000000 ] - [ 0.0003047600000000, 0.0000831900000000, -0.0003387200000000 ] - [ -0.0003269700000000, -0.0000016600000000, -0.0002435300000000 ] - [ 0.0003047600000000, -0.0000831900000000, -0.0003387200000000 ] - [ -0.0003269700000000, 0.0000016600000000, -0.0002435300000000 ] - [ 0.0039207800000000, 0.0022260400000000, -0.0011884700000000 ] - [ -0.0000853600000000, 0.0000094700000000, -0.0002099100000000 ] - [ 0.0039207800000000, -0.0022260400000000, -0.0011884700000000 ] - [ -0.0000853600000000, -0.0000094700000000, -0.0002099100000000 ] - [ 0.0004275000000000, 0.0000000000000000, -0.0001809800000000 ] - [ -0.0000513200000000, 0.0000000000000000, -0.0002200000000000 ] - [ -0.0007175700000000, 0.0000000000000000, 0.0004588300000000 ] - [ -0.0006620800000000, 0.0000000000000000, 0.0002607600000000 ] - [ -0.0003134200000000, 0.0001129700000000, 0.0002525700000000 ] - [ -0.0003647100000000, -0.0001681400000000, 0.0002622100000000 ] - [ -0.0003134200000000, -0.0001129700000000, 0.0002525700000000 ] - [ -0.0003647100000000, 0.0001681400000000, 0.0002622100000000 ] - [ -0.0003944300000000, -0.0000103000000000, -0.0000374200000000 ] - [ 0.0032614300000000, -0.0026351400000000, -0.0016582300000000 ] - [ -0.0003944300000000, 0.0000103000000000, -0.0000374200000000 ] - [ 0.0032614300000000, 0.0026351400000000, -0.0016582300000000 ] - [ -0.0003553200000000, 0.0000000000000000, -0.0000322000000000 ] - [ 0.0003134300000000, 0.0000000000000000, -0.0000935500000000 ] - [ 0.0001155800000000, 0.0000000000000000, 0.0000461900000000 ] - [ -0.0001627200000000, 0.0000000000000000, -0.0001356200000000 ] - [ 0.0001595700000000, 0.0000647700000000, -0.0000057300000000 ] - [ -0.0001038400000000, -0.0000325700000000, -0.0001179000000000 ] - [ 0.0001595700000000, -0.0000647700000000, -0.0000057300000000 ] - [ -0.0001038400000000, 0.0000325700000000, -0.0001179000000000 ] - [ -0.0000395000000000, -0.0000249800000000, 0.0002047700000000 ] - [ 0.0002277500000000, 0.0000862500000000, 0.0002759000000000 ] - [ -0.0000395000000000, 0.0000249800000000, 0.0002047700000000 ] - [ 0.0002277500000000, -0.0000862500000000, 0.0002759000000000 ] - [ -0.0000181700000000, 0.0000000000000000, 0.0002101500000000 ] - [ 0.0002563600000000, 0.0000000000000000, 0.0002814800000000 ] - [ 0.0020550100000000, 0.0000000000000000, 0.0013950600000000 ] - [ -0.0001553400000000, 0.0000000000000000, 0.0001024100000000 ] - [ 0.0005990000000000, -0.0002866400000000, -0.0001835300000000 ] - [ -0.0001302400000000, 0.0000129400000000, 0.0000976400000000 ] - [ 0.0005990000000000, 0.0002866400000000, -0.0001835300000000 ] - [ -0.0001302400000000, -0.0000129400000000, 0.0000976400000000 ] - [ -0.0003091600000000, -0.0003279600000000, -0.0003989000000000 ] - [ -0.0003706700000000, 0.0000222900000000, 0.0000665300000000 ] - [ -0.0003091600000000, 0.0003279600000000, -0.0003989000000000 ] - [ -0.0003706700000000, -0.0000222900000000, 0.0000665300000000 ] - [ -0.0001136100000000, 0.0000000000000000, -0.0000352200000000 ] - [ -0.0003164200000000, 0.0000000000000000, 0.0000511300000000 ] - [ 0.0122337200000000, 0.0000000000000000, 0.0118646600000000 ] - [ 0.0006075200000000, 0.0000000000000000, -0.0009088200000000 ] - [ 0.0010625900000000, 0.0003161000000000, -0.0006358400000000 ] - [ 0.0006273900000000, -0.0000018500000000, -0.0009080300000000 ] - [ 0.0010625900000000, -0.0003161000000000, -0.0006358400000000 ] - [ 0.0006273900000000, 0.0000018500000000, -0.0009080300000000 ] - [ -0.0009690700000000, -0.0000267400000000, 0.0009374200000000 ] - [ -0.0010774400000000, 0.0000677700000000, 0.0005917900000000 ] - [ -0.0009690700000000, 0.0000267400000000, 0.0009374200000000 ] - [ -0.0010774400000000, -0.0000677700000000, 0.0005917900000000 ] - [ -0.0008309100000000, 0.0000000000000000, 0.0008672000000000 ] - [ -0.0008307500000000, 0.0000000000000000, 0.0009870900000000 ] - [ 0.0006352300000000, 0.0000000000000000, 0.0008702400000000 ] - [ 0.0007073000000000, 0.0000000000000000, 0.0009571000000000 ] - [ 0.0006544300000000, 0.0000651600000000, 0.0008392200000000 ] - [ 0.0007801900000000, -0.0001149100000000, 0.0010019000000000 ] - [ 0.0006544300000000, -0.0000651600000000, 0.0008392200000000 ] - [ 0.0007801900000000, 0.0001149100000000, 0.0010019000000000 ] - [ -0.0004285600000000, -0.0001596600000000, -0.0007834000000000 ] - [ -0.0009096000000000, 0.0000050000000000, -0.0009037200000000 ] - [ -0.0004285600000000, 0.0001596600000000, -0.0007834000000000 ] - [ -0.0009096000000000, -0.0000050000000000, -0.0009037200000000 ] - [ -0.0005384300000000, 0.0000000000000000, -0.0008020500000000 ] - [ -0.0009027400000000, 0.0000000000000000, -0.0009104900000000 ] - [ 0.0007701500000000, 0.0000744600000000, -0.0004278900000000 ] - [ 0.0007335400000000, -0.0000414200000000, -0.0001042400000000 ] - [ 0.0007701500000000, -0.0000744600000000, -0.0004278900000000 ] - [ 0.0007335400000000, 0.0000414200000000, -0.0001042400000000 ] - [ 0.0004503800000000, 0.0000000000000000, -0.0002138900000000 ] - [ 0.0005533200000000, 0.0000000000000000, -0.0001504300000000 ] - [ -0.0353615700000000, 0.0000000000000000, -0.0144854700000000 ] - [ 0.0002833000000000, 0.0000000000000000, 0.0001764000000000 ] - [ -0.0008482300000000, 0.0001553400000000, 0.0001166300000000 ] - [ 0.0002656800000000, -0.0000015300000000, 0.0001735500000000 ] - [ -0.0008482300000000, -0.0001553400000000, 0.0001166300000000 ] - [ 0.0002656800000000, 0.0000015300000000, 0.0001735500000000 ] - [ 0.0001877000000000, 0.0000477800000000, -0.0001748400000000 ] - [ 0.0007289900000000, -0.0005776400000000, 0.0004370700000000 ] - [ 0.0001877000000000, -0.0000477800000000, -0.0001748400000000 ] - [ 0.0007289900000000, 0.0005776400000000, 0.0004370700000000 ] - [ 0.0001079400000000, 0.0000000000000000, -0.0001571400000000 ] - [ -0.0001803300000000, 0.0000000000000000, -0.0001440100000000 ] - [ -0.0000849900000000, 0.0001108300000000, -0.0009595800000000 ] - [ -0.0000474700000000, -0.0000921600000000, -0.0012044900000000 ] - [ -0.0000849900000000, -0.0001108300000000, -0.0009595800000000 ] - [ -0.0000474700000000, 0.0000921600000000, -0.0012044900000000 ] - [ -0.0002101200000000, 0.0000000000000000, -0.0010105800000000 ] - [ -0.0003039800000000, 0.0000000000000000, -0.0010763100000000 ] - [ -0.0002045600000000, -0.0001413800000000, 0.0003541000000000 ] - [ 0.0006315900000000, 0.0000024800000000, 0.0001736600000000 ] - [ -0.0002045600000000, 0.0001413800000000, 0.0003541000000000 ] - [ 0.0006315900000000, -0.0000024800000000, 0.0001736600000000 ] - [ -0.0000327900000000, 0.0000000000000000, 0.0001934700000000 ] - [ 0.0006204500000000, 0.0000000000000000, 0.0001735600000000 ] - [ 0.0002228300000000, 0.0000000000000000, -0.0000650000000000 ] - [ 0.0002185600000000, 0.0000000000000000, -0.0002210400000000 ] - [ 0.0001709500000000, -0.0000547000000000, -0.0001048000000000 ] - [ 0.0001689800000000, 0.0000362400000000, -0.0002113400000000 ] - [ 0.0001709500000000, 0.0000547000000000, -0.0001048000000000 ] - [ 0.0001689800000000, -0.0000362400000000, -0.0002113400000000 ] - [ 0.0071444000000000, 0.0000000000000000, 0.0019617500000000 ] - [ -0.0001259700000000, 0.0000000000000000, 0.0001317600000000 ] - [ -0.0004887200000000, -0.0003191800000000, 0.0003029200000000 ] - [ -0.0001674000000000, 0.0000150700000000, 0.0001433300000000 ] - [ -0.0004887200000000, 0.0003191800000000, 0.0003029200000000 ] - [ -0.0001674000000000, -0.0000150700000000, 0.0001433300000000 ] - [ -0.0004370600000000, 0.0022241900000000, 0.0038965500000000 ] - [ -0.0001531200000000, -0.0000053500000000, 0.0010346600000000 ] - [ -0.0004370600000000, -0.0022241900000000, 0.0038965500000000 ] - [ -0.0001531200000000, 0.0000053500000000, 0.0010346600000000 ] - [ -0.0005961300000000, 0.0000000000000000, 0.0010310400000000 ] - [ -0.0001675400000000, 0.0000000000000000, 0.0010341200000000 ] - [ 0.0004742600000000, 0.0000000000000000, -0.0010916200000000 ] - [ 0.0005373300000000, 0.0000000000000000, -0.0008396800000000 ] - [ 0.0004315700000000, -0.0000613700000000, -0.0010709100000000 ] - [ 0.0003158000000000, 0.0001791700000000, -0.0009168400000000 ] - [ 0.0004315700000000, 0.0000613700000000, -0.0010709100000000 ] - [ 0.0003158000000000, -0.0001791700000000, -0.0009168400000000 ] - [ -0.0000129300000000, 0.0000000000000000, 0.0000126400000000 ] - [ 0.0004803700000000, 0.0000000000000000, 0.0010558000000000 ] - [ 0.0000105000000000, -0.0001615600000000, 0.0008533500000000 ] - [ 0.0004649200000000, 0.0000087300000000, 0.0010559500000000 ] - [ 0.0000105000000000, 0.0001615600000000, 0.0008533500000000 ] - [ 0.0004649200000000, -0.0000087300000000, 0.0010559500000000 ] - [ -0.0002260200000000, 0.0000492500000000, 0.0002501700000000 ] - [ 0.0001428400000000, -0.0000091600000000, 0.0001470200000000 ] - [ -0.0002260200000000, -0.0000492500000000, 0.0002501700000000 ] - [ 0.0001428400000000, 0.0000091600000000, 0.0001470200000000 ] - [ -0.0002101100000000, 0.0000000000000000, 0.0001672700000000 ] - [ 0.0001268000000000, 0.0000000000000000, 0.0001497900000000 ] - [ -0.0001714000000000, 0.0000000000000000, -0.0001405000000000 ] - [ -0.0004629300000000, 0.0000000000000000, -0.0007814500000000 ] - [ -0.0001804000000000, -0.0000200300000000, -0.0001373000000000 ] - [ -0.0005572000000000, 0.0003049700000000, -0.0005847000000000 ] - [ -0.0001804000000000, 0.0000200300000000, -0.0001373000000000 ] - [ -0.0005572000000000, -0.0003049700000000, -0.0005847000000000 ]- atom: 79 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007186400000000, 0.0000000000000000, -0.0000512600000000 ] - [ 0.0000653600000000, 0.0000000000000000, -0.0002131300000000 ] - [ -0.0005740300000000, -0.0000816400000000, -0.0001234700000000 ] - [ 0.0000545300000000, 0.0000017300000000, -0.0002155300000000 ] - [ -0.0005740300000000, 0.0000816400000000, -0.0001234700000000 ] - [ 0.0000545300000000, -0.0000017300000000, -0.0002155300000000 ] - [ -0.0037505100000000, -0.0023408900000000, 0.0007871600000000 ] - [ 0.0003569200000000, -0.0000094800000000, -0.0002484000000000 ] - [ -0.0037505100000000, 0.0023408900000000, 0.0007871600000000 ] - [ 0.0003569200000000, 0.0000094800000000, -0.0002484000000000 ] - [ -0.0001565600000000, 0.0000000000000000, -0.0002751900000000 ] - [ 0.0003229800000000, 0.0000000000000000, -0.0002383400000000 ] - [ 0.0004456500000000, 0.0000000000000000, -0.0000003300000000 ] - [ 0.0003866700000000, 0.0000000000000000, 0.0001979600000000 ] - [ 0.0000406700000000, -0.0001133000000000, 0.0002067100000000 ] - [ 0.0000920700000000, 0.0001671000000000, 0.0001961100000000 ] - [ 0.0000406700000000, 0.0001133000000000, 0.0002067100000000 ] - [ 0.0000920700000000, -0.0001671000000000, 0.0001961100000000 ] - [ 0.0001631800000000, 0.0000102800000000, -0.0000884300000000 ] - [ -0.0034302300000000, 0.0025464600000000, 0.0014693800000000 ] - [ 0.0001631800000000, -0.0000102800000000, -0.0000884300000000 ] - [ -0.0034302300000000, -0.0025464600000000, 0.0014693800000000 ] - [ 0.0001239200000000, 0.0000000000000000, -0.0000935600000000 ] - [ -0.0005390700000000, 0.0000000000000000, -0.0000334300000000 ] - [ 0.0001137900000000, 0.0000000000000000, -0.0001732900000000 ] - [ 0.0003928800000000, 0.0000000000000000, 0.0000092400000000 ] - [ 0.0000705100000000, -0.0000645100000000, -0.0001212000000000 ] - [ 0.0003342600000000, 0.0000323400000000, -0.0000082500000000 ] - [ 0.0000705100000000, 0.0000645100000000, -0.0001212000000000 ] - [ 0.0003342600000000, -0.0000323400000000, -0.0000082500000000 ] - [ 0.0003107600000000, 0.0000249300000000, 0.0002535000000000 ] - [ 0.0000454200000000, -0.0000861800000000, 0.0001830200000000 ] - [ 0.0003107600000000, -0.0000249300000000, 0.0002535000000000 ] - [ 0.0000454200000000, 0.0000861800000000, 0.0001830200000000 ] - [ 0.0002894300000000, 0.0000000000000000, 0.0002480200000000 ] - [ 0.0000166800000000, 0.0000000000000000, 0.0001779500000000 ] - [ -0.0018009700000000, 0.0000000000000000, -0.0012178000000000 ] - [ 0.0003849700000000, 0.0000000000000000, 0.0000237400000000 ] - [ -0.0003655700000000, 0.0002858700000000, 0.0003097100000000 ] - [ 0.0003598800000000, -0.0000128900000000, 0.0000284000000000 ] - [ -0.0003655700000000, -0.0002858700000000, 0.0003097100000000 ] - [ 0.0003598800000000, 0.0000128900000000, 0.0000284000000000 ] - [ 0.0000726400000000, 0.0003269200000000, 0.0005241600000000 ] - [ 0.0001396200000000, -0.0000223900000000, 0.0000595200000000 ] - [ 0.0000726400000000, -0.0003269200000000, 0.0005241600000000 ] - [ 0.0001396200000000, 0.0000223900000000, 0.0000595200000000 ] - [ -0.0001183900000000, 0.0000000000000000, 0.0001601200000000 ] - [ 0.0000854700000000, 0.0000000000000000, 0.0000749100000000 ] - [ -0.0110421600000000, 0.0000000000000000, -0.0144100500000000 ] - [ 0.0009298100000000, 0.0000000000000000, -0.0009004800000000 ] - [ 0.0004769200000000, -0.0003107800000000, -0.0011657100000000 ] - [ 0.0009104800000000, 0.0000019700000000, -0.0008979200000000 ] - [ 0.0004769200000000, 0.0003107800000000, -0.0011657100000000 ] - [ 0.0009104800000000, -0.0000019700000000, -0.0008979200000000 ] - [ -0.0005676400000000, 0.0000264000000000, 0.0008711700000000 ] - [ -0.0004648600000000, -0.0000677200000000, 0.0012216400000000 ] - [ -0.0005676400000000, -0.0000264000000000, 0.0008711700000000 ] - [ -0.0004648600000000, 0.0000677200000000, 0.0012216400000000 ] - [ -0.0007081800000000, 0.0000000000000000, 0.0009385200000000 ] - [ -0.0007086300000000, 0.0000000000000000, 0.0008309500000000 ] - [ 0.0009015800000000, 0.0000000000000000, 0.0009404600000000 ] - [ 0.0008356400000000, 0.0000000000000000, 0.0008581600000000 ] - [ 0.0008869900000000, -0.0000655600000000, 0.0009674400000000 ] - [ 0.0007620100000000, 0.0001142800000000, 0.0008084800000000 ] - [ 0.0008869900000000, 0.0000655600000000, 0.0009674400000000 ] - [ 0.0007620100000000, -0.0001142800000000, 0.0008084800000000 ] - [ -0.0011111000000000, 0.0001588300000000, -0.0010317600000000 ] - [ -0.0006314300000000, -0.0000048600000000, -0.0009076200000000 ] - [ -0.0011111000000000, -0.0001588300000000, -0.0010317600000000 ] - [ -0.0006314300000000, 0.0000048600000000, -0.0009076200000000 ] - [ -0.0010026500000000, 0.0000000000000000, -0.0010051900000000 ] - [ -0.0006393000000000, 0.0000000000000000, -0.0009019400000000 ] - [ 0.0000393100000000, -0.0000744600000000, 0.0000971600000000 ] - [ 0.0000759000000000, 0.0000411100000000, -0.0002254600000000 ] - [ 0.0000393100000000, 0.0000744600000000, 0.0000971600000000 ] - [ 0.0000759000000000, -0.0000411100000000, -0.0002254600000000 ] - [ 0.0003610500000000, 0.0000000000000000, -0.0001180200000000 ] - [ 0.0002574200000000, 0.0000000000000000, -0.0001807100000000 ] - [ 0.0359572200000000, 0.0000000000000000, 0.0155255400000000 ] - [ -0.0001616900000000, 0.0000000000000000, 0.0001448700000000 ] - [ 0.0009651000000000, -0.0001599500000000, 0.0002000700000000 ] - [ -0.0001464300000000, 0.0000016200000000, 0.0001449100000000 ] - [ 0.0009651000000000, 0.0001599500000000, 0.0002000700000000 ] - [ -0.0001464300000000, -0.0000016200000000, 0.0001449100000000 ] - [ -0.0003107100000000, -0.0000482500000000, -0.0001502400000000 ] - [ -0.0008460600000000, 0.0005722900000000, -0.0007556600000000 ] - [ -0.0003107100000000, 0.0000482500000000, -0.0001502400000000 ] - [ -0.0008460600000000, -0.0005722900000000, -0.0007556600000000 ] - [ -0.0002312000000000, 0.0000000000000000, -0.0001685900000000 ] - [ 0.0000544800000000, 0.0000000000000000, -0.0001821900000000 ] - [ -0.0005434500000000, -0.0001103600000000, -0.0011233200000000 ] - [ -0.0005815600000000, 0.0000893300000000, -0.0008804100000000 ] - [ -0.0005434500000000, 0.0001103600000000, -0.0011233200000000 ] - [ -0.0005815600000000, -0.0000893300000000, -0.0008804100000000 ] - [ -0.0004178200000000, 0.0000000000000000, -0.0010713800000000 ] - [ -0.0003263700000000, 0.0000000000000000, -0.0010088600000000 ] - [ 0.0010106500000000, 0.0001406600000000, -0.0000224700000000 ] - [ 0.0001758400000000, -0.0000024500000000, 0.0001559500000000 ] - [ 0.0010106500000000, -0.0001406600000000, -0.0000224700000000 ] - [ 0.0001758400000000, 0.0000024500000000, 0.0001559500000000 ] - [ 0.0008405500000000, 0.0000000000000000, 0.0001377000000000 ] - [ 0.0001898400000000, 0.0000000000000000, 0.0001566000000000 ] - [ -0.0000957100000000, 0.0000000000000000, -0.0002617500000000 ] - [ -0.0000938800000000, 0.0000000000000000, -0.0001054600000000 ] - [ -0.0000431300000000, 0.0000544500000000, -0.0002227500000000 ] - [ -0.0000467100000000, -0.0000359600000000, -0.0001124100000000 ] - [ -0.0000431300000000, -0.0000544500000000, -0.0002227500000000 ] - [ -0.0000467100000000, 0.0000359600000000, -0.0001124100000000 ] - [ -0.0080591700000000, 0.0000000000000000, -0.0016461900000000 ] - [ -0.0006781700000000, 0.0000000000000000, 0.0001975600000000 ] - [ -0.0003109900000000, 0.0003189700000000, 0.0000226200000000 ] - [ -0.0006331300000000, -0.0000150200000000, 0.0001854800000000 ] - [ -0.0003109900000000, -0.0003189700000000, 0.0000226200000000 ] - [ -0.0006331300000000, 0.0000150200000000, 0.0001854800000000 ] - [ -0.0001857300000000, -0.0022196200000000, -0.0018097600000000 ] - [ -0.0004767500000000, 0.0000036800000000, 0.0010547500000000 ] - [ -0.0001857300000000, 0.0022196200000000, -0.0018097600000000 ] - [ -0.0004767500000000, -0.0000036800000000, 0.0010547500000000 ] - [ -0.0000351100000000, 0.0000000000000000, 0.0010586300000000 ] - [ -0.0004627600000000, 0.0000000000000000, 0.0010573000000000 ] - [ 0.0001548900000000, 0.0000000000000000, -0.0009910200000000 ] - [ 0.0000927100000000, 0.0000000000000000, -0.0012441300000000 ] - [ 0.0001975000000000, 0.0000604700000000, -0.0010114000000000 ] - [ 0.0003131400000000, -0.0001803500000000, -0.0011660100000000 ] - [ 0.0001975000000000, -0.0000604700000000, -0.0010114000000000 ] - [ 0.0003131400000000, 0.0001803500000000, -0.0011660100000000 ] - [ 0.0006465600000000, 0.0000000000000000, 0.0020719500000000 ] - [ 0.0001513000000000, 0.0000000000000000, 0.0010332200000000 ] - [ 0.0006197000000000, 0.0001608100000000, 0.0012318700000000 ] - [ 0.0001662900000000, -0.0000107700000000, 0.0010316700000000 ] - [ 0.0006197000000000, -0.0001608100000000, 0.0012318700000000 ] - [ 0.0001662900000000, 0.0000107700000000, 0.0010316700000000 ] - [ 0.0001035200000000, -0.0000488100000000, 0.0000757800000000 ] - [ -0.0002641100000000, 0.0000093600000000, 0.0001744100000000 ] - [ 0.0001035200000000, 0.0000488100000000, 0.0000757800000000 ] - [ -0.0002641100000000, -0.0000093600000000, 0.0001744100000000 ] - [ 0.0000867800000000, 0.0000000000000000, 0.0001582600000000 ] - [ -0.0002499000000000, 0.0000000000000000, 0.0001739300000000 ] - [ -0.0006403500000000, 0.0000000000000000, -0.0001912200000000 ] - [ -0.0003510700000000, 0.0000000000000000, 0.0004477700000000 ] - [ -0.0006323200000000, 0.0000201400000000, -0.0001946300000000 ] - [ -0.0002523300000000, -0.0003030500000000, 0.0002518200000000 ] - [ -0.0006323200000000, -0.0000201400000000, -0.0001946300000000 ] - [ -0.0002523300000000, 0.0003030500000000, 0.0002518200000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001358000000000, 0.0004238000000000, -0.0002300100000000 ] - [ -0.0001363000000000, 0.0000086500000000, -0.0002289900000000 ] - [ -0.0001541800000000, -0.0002100800000000, -0.0000300300000000 ] - [ -0.0001369500000000, -0.0000043900000000, -0.0002278000000000 ] - [ -0.0001175400000000, -0.0002109200000000, -0.0004286400000000 ] - [ -0.0001356800000000, -0.0000043600000000, -0.0002299300000000 ] - [ 0.0024302200000000, 0.0027797800000000, -0.0012498400000000 ] - [ 0.0001536700000000, 0.0000078400000000, -0.0002337600000000 ] - [ -0.0022523100000000, 0.0028446100000000, 0.0008348000000000 ] - [ 0.0001188100000000, 0.0000079800000000, -0.0002239900000000 ] - [ 0.0001373900000000, -0.0006228300000000, -0.0002291500000000 ] - [ 0.0001362000000000, -0.0000163400000000, -0.0002289800000000 ] - [ -0.0001370000000000, 0.0001117400000000, 0.0002298000000000 ] - [ -0.0001359600000000, 0.0002162700000000, 0.0002284900000000 ] - [ -0.0000206500000000, -0.0000582500000000, 0.0002230300000000 ] - [ -0.0002397900000000, -0.0001077000000000, 0.0002221900000000 ] - [ -0.0002515300000000, -0.0000583100000000, 0.0002350000000000 ] - [ -0.0000329200000000, -0.0001079600000000, 0.0002350200000000 ] - [ -0.0001239600000000, 0.0000054700000000, -0.0000672300000000 ] - [ -0.0027056100000000, 0.0036546000000000, 0.0019851200000000 ] - [ -0.0001046200000000, 0.0000056400000000, -0.0000567800000000 ] - [ 0.0025782300000000, 0.0037336700000000, -0.0021902500000000 ] - [ -0.0001142600000000, -0.0000114900000000, -0.0000620200000000 ] - [ -0.0001148100000000, -0.0006014400000000, -0.0000611400000000 ] - [ 0.0001138300000000, 0.0001280400000000, -0.0000624700000000 ] - [ 0.0001142200000000, 0.0000398000000000, -0.0000620300000000 ] - [ 0.0001702500000000, -0.0000654700000000, -0.0001081000000000 ] - [ 0.0000849300000000, -0.0000197400000000, -0.0000661000000000 ] - [ 0.0000581400000000, -0.0000655100000000, -0.0000168100000000 ] - [ 0.0001432200000000, -0.0000198000000000, -0.0000580400000000 ] - [ 0.0001244700000000, 0.0000128500000000, 0.0002328500000000 ] - [ 0.0001856000000000, 0.0000704600000000, 0.0001950300000000 ] - [ 0.0001478800000000, 0.0000130200000000, 0.0002245700000000 ] - [ 0.0000871600000000, 0.0000707900000000, 0.0002632500000000 ] - [ 0.0001362100000000, -0.0000265200000000, 0.0002289100000000 ] - [ 0.0001362100000000, -0.0001399400000000, 0.0002290000000000 ] - [ 0.0001103800000000, 0.0005616100000000, 0.0000553700000000 ] - [ 0.0001141900000000, 0.0000185800000000, 0.0000620400000000 ] - [ -0.0000886600000000, -0.0003380100000000, -0.0003179000000000 ] - [ 0.0001254900000000, -0.0000095900000000, 0.0000600900000000 ] - [ 0.0003158300000000, -0.0003380800000000, 0.0004399100000000 ] - [ 0.0001028500000000, -0.0000095000000000, 0.0000638700000000 ] - [ -0.0003769000000000, 0.0001082700000000, -0.0000101600000000 ] - [ -0.0000685200000000, 0.0000189600000000, 0.0000490700000000 ] - [ 0.0001470500000000, 0.0001103800000000, 0.0001326900000000 ] - [ -0.0001601700000000, 0.0000190100000000, 0.0000751100000000 ] - [ -0.0001140900000000, -0.0001897900000000, 0.0000621900000000 ] - [ -0.0001142300000000, -0.0000388300000000, 0.0000621100000000 ] - [ 0.0008089500000000, -0.0006957100000000, -0.0008616200000000 ] - [ 0.0007695000000000, 0.0000214200000000, -0.0009030500000000 ] - [ 0.0010917800000000, -0.0006387800000000, -0.0006385500000000 ] - [ 0.0007586100000000, 0.0000103000000000, -0.0008952400000000 ] - [ 0.0004500700000000, -0.0006402200000000, -0.0011624000000000 ] - [ 0.0007801400000000, 0.0000099000000000, -0.0009096100000000 ] - [ -0.0009016900000000, 0.0000027900000000, 0.0009577500000000 ] - [ -0.0006279900000000, 0.0000390200000000, 0.0011418400000000 ] - [ -0.0006362100000000, 0.0000028400000000, 0.0008465400000000 ] - [ -0.0009117100000000, 0.0000392300000000, 0.0006651100000000 ] - [ -0.0007690500000000, -0.0000491700000000, 0.0009024100000000 ] - [ -0.0007696800000000, -0.0000992000000000, 0.0009025100000000 ] - [ 0.0007706200000000, 0.0000223300000000, 0.0009033800000000 ] - [ 0.0007709800000000, 0.0001716800000000, 0.0009030500000000 ] - [ 0.0007814600000000, -0.0000321800000000, 0.0008871700000000 ] - [ 0.0006524300000000, -0.0001124100000000, 0.0008601400000000 ] - [ 0.0007598500000000, -0.0000324700000000, 0.0009199600000000 ] - [ 0.0008881300000000, -0.0001120500000000, 0.0009464300000000 ] - [ -0.0007758300000000, 0.0001507900000000, -0.0009958200000000 ] - [ -0.0007694200000000, 0.0000181000000000, -0.0009086600000000 ] - [ -0.0007651100000000, 0.0001520300000000, -0.0008113000000000 ] - [ -0.0007720100000000, 0.0000181200000000, -0.0008964300000000 ] - [ -0.0007701300000000, -0.0002583100000000, -0.0009023200000000 ] - [ -0.0007709800000000, 0.0000053000000000, -0.0009019400000000 ] - [ 0.0007582000000000, -0.0000657300000000, -0.0003301200000000 ] - [ 0.0003003400000000, -0.0000248000000000, -0.0001939900000000 ] - [ 0.0000565600000000, -0.0000662200000000, 0.0000034200000000 ] - [ 0.0005177700000000, -0.0000248700000000, -0.0001334500000000 ] - [ 0.0004102600000000, 0.0000967300000000, -0.0001641600000000 ] - [ 0.0004081800000000, 0.0000477600000000, -0.0001633900000000 ] - [ 0.0000180000000000, -0.0187044100000000, 0.0001720400000000 ] - [ 0.0000698400000000, -0.0000107500000000, 0.0001682300000000 ] - [ -0.0000904000000000, 0.0016493100000000, -0.0000231200000000 ] - [ 0.0000727500000000, 0.0000052400000000, 0.0001682500000000 ] - [ 0.0002255000000000, 0.0016292000000000, 0.0003541900000000 ] - [ 0.0000672100000000, 0.0000053700000000, 0.0001684200000000 ] - [ -0.0000202000000000, -0.0000151100000000, -0.0001623200000000 ] - [ -0.0006444000000000, -0.0000309600000000, -0.0005403600000000 ] - [ -0.0001166700000000, -0.0000150500000000, -0.0001719400000000 ] - [ 0.0005059400000000, -0.0000323200000000, 0.0002048400000000 ] - [ -0.0000701200000000, 0.0000318000000000, -0.0001688200000000 ] - [ -0.0000681400000000, 0.0002014300000000, -0.0001665800000000 ] - [ -0.0002805400000000, -0.0000297200000000, -0.0010368100000000 ] - [ -0.0005865300000000, -0.0000861900000000, -0.0009552600000000 ] - [ -0.0003532900000000, -0.0000276400000000, -0.0010451800000000 ] - [ -0.0000474300000000, -0.0000882800000000, -0.0011281100000000 ] - [ -0.0003173700000000, 0.0000554000000000, -0.0010416300000000 ] - [ -0.0003173100000000, 0.0001535800000000, -0.0010412800000000 ] - [ 0.0004001700000000, -0.0001046300000000, 0.0001517000000000 ] - [ 0.0004113700000000, -0.0000041100000000, 0.0001636700000000 ] - [ 0.0004190500000000, -0.0001054300000000, 0.0001759600000000 ] - [ 0.0004083000000000, -0.0000041100000000, 0.0001639500000000 ] - [ 0.0004112500000000, 0.0001992100000000, 0.0001646100000000 ] - [ 0.0004101200000000, 0.0000079700000000, 0.0001639000000000 ] - [ 0.0000709100000000, -0.0000613300000000, -0.0001691800000000 ] - [ 0.0000689300000000, -0.0000613700000000, -0.0001676100000000 ] - [ 0.0000340700000000, 0.0000300900000000, -0.0001683100000000 ] - [ 0.0001249700000000, 0.0000301900000000, -0.0001922100000000 ] - [ 0.0001052600000000, 0.0000304900000000, -0.0001674200000000 ] - [ 0.0000146100000000, 0.0000302800000000, -0.0001447700000000 ] - [ -0.0003945600000000, -0.0009168800000000, 0.0001686600000000 ] - [ -0.0004099600000000, -0.0000251900000000, 0.0001640900000000 ] - [ -0.0006994000000000, 0.0002775000000000, 0.0000124600000000 ] - [ -0.0003845000000000, 0.0000123900000000, 0.0001598000000000 ] - [ -0.0001182100000000, 0.0002780800000000, 0.0003128000000000 ] - [ -0.0004355400000000, 0.0000124900000000, 0.0001683700000000 ] - [ 0.0003111700000000, 0.0026641200000000, 0.0041766800000000 ] - [ -0.0003223900000000, -0.0000078400000000, 0.0010411800000000 ] - [ -0.0009507400000000, 0.0026504600000000, -0.0020949000000000 ] - [ -0.0003117500000000, -0.0000083000000000, 0.0010412400000000 ] - [ -0.0003180500000000, 0.0006856300000000, 0.0010417900000000 ] - [ -0.0003169900000000, 0.0000157300000000, 0.0010411800000000 ] - [ 0.0003175700000000, -0.0001054300000000, -0.0010421800000000 ] - [ 0.0003171000000000, -0.0001860400000000, -0.0010414900000000 ] - [ 0.0002829800000000, 0.0000472300000000, -0.0010259000000000 ] - [ 0.0003723900000000, 0.0001009400000000, -0.0009840100000000 ] - [ 0.0003517400000000, 0.0000502200000000, -0.0010572900000000 ] - [ 0.0002626300000000, 0.0000998700000000, -0.0010997400000000 ] - [ 0.0003186600000000, -0.0006058300000000, 0.0010389500000000 ] - [ 0.0003174200000000, -0.0000152500000000, 0.0010412100000000 ] - [ 0.0003073600000000, 0.0002317600000000, 0.0012626300000000 ] - [ 0.0003231200000000, 0.0000071100000000, 0.0010419900000000 ] - [ 0.0003274300000000, 0.0002343800000000, 0.0008208700000000 ] - [ 0.0003116500000000, 0.0000078100000000, 0.0010399200000000 ] - [ -0.0000195100000000, -0.0000835000000000, 0.0003229200000000 ] - [ -0.0000785200000000, -0.0000070600000000, 0.0001723100000000 ] - [ -0.0001191400000000, -0.0000839600000000, 0.0000134200000000 ] - [ -0.0000608900000000, -0.0000072700000000, 0.0001637500000000 ] - [ -0.0000705900000000, 0.0001454900000000, 0.0001694300000000 ] - [ -0.0000697000000000, 0.0000141700000000, 0.0001683100000000 ] - [ -0.0004113600000000, -0.0000138500000000, -0.0001644100000000 ] - [ -0.0004098800000000, -0.0004246700000000, -0.0001633400000000 ] - [ -0.0004167500000000, 0.0000067100000000, -0.0001629400000000 ] - [ -0.0002246000000000, 0.0003056400000000, -0.0004667700000000 ] - [ -0.0004022400000000, 0.0000067100000000, -0.0001646400000000 ] - [ -0.0005957900000000, 0.0003052700000000, 0.0001377600000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000892600000000, 0.0000000000000000, -0.0012519600000000 ] - [ -0.0001572300000000, 0.0000000000000000, -0.0002462400000000 ] - [ -0.0000283500000000, 0.0001366800000000, -0.0008449000000000 ] - [ -0.0001555800000000, -0.0000007000000000, -0.0002441200000000 ] - [ -0.0000283500000000, -0.0001366800000000, -0.0008449000000000 ] - [ -0.0001555800000000, 0.0000007000000000, -0.0002441200000000 ] - [ -0.0006623900000000, -0.0008821200000000, 0.0013279900000000 ] - [ 0.0000910500000000, 0.0000035800000000, -0.0001975200000000 ] - [ -0.0006623900000000, 0.0008821200000000, 0.0013279900000000 ] - [ 0.0000910500000000, -0.0000035800000000, -0.0001975200000000 ] - [ 0.0001635900000000, 0.0000000000000000, 0.0000726500000000 ] - [ 0.0001069500000000, 0.0000000000000000, -0.0002070400000000 ] - [ -0.0002579200000000, 0.0000000000000000, 0.0004617300000000 ] - [ -0.0002533400000000, 0.0000000000000000, 0.0004766200000000 ] - [ -0.0001660100000000, -0.0000122200000000, 0.0003435300000000 ] - [ -0.0001857100000000, -0.0000553200000000, 0.0003937900000000 ] - [ -0.0001660100000000, 0.0000122200000000, 0.0003435300000000 ] - [ -0.0001857100000000, 0.0000553200000000, 0.0003937900000000 ] - [ -0.0001573900000000, -0.0000016200000000, -0.0000347200000000 ] - [ -0.0020531600000000, 0.0025617000000000, 0.0025473300000000 ] - [ -0.0001573900000000, 0.0000016200000000, -0.0000347200000000 ] - [ -0.0020531600000000, -0.0025617000000000, 0.0025473300000000 ] - [ -0.0001478900000000, 0.0000000000000000, -0.0000401300000000 ] - [ -0.0000093500000000, 0.0000000000000000, 0.0001324500000000 ] - [ 0.0004397000000000, 0.0000000000000000, -0.0002804100000000 ] - [ 0.0000069100000000, 0.0000000000000000, -0.0001610300000000 ] - [ 0.0002075100000000, -0.0000514100000000, -0.0001638500000000 ] - [ 0.0000622200000000, -0.0000196300000000, -0.0001333900000000 ] - [ 0.0002075100000000, 0.0000514100000000, -0.0001638500000000 ] - [ 0.0000622200000000, 0.0000196300000000, -0.0001333900000000 ] - [ 0.0001141400000000, 0.0000002700000000, 0.0001682700000000 ] - [ 0.0001243300000000, 0.0000141200000000, -0.0001097500000000 ] - [ 0.0001141400000000, -0.0000002700000000, 0.0001682700000000 ] - [ 0.0001243300000000, -0.0000141200000000, -0.0001097500000000 ] - [ 0.0001136200000000, 0.0000000000000000, 0.0001824000000000 ] - [ 0.0001721000000000, 0.0000000000000000, 0.0000378800000000 ] - [ 0.0017205800000000, 0.0000000000000000, 0.0035934300000000 ] - [ 0.0001141200000000, 0.0000000000000000, 0.0000710000000000 ] - [ 0.0000169100000000, -0.0004443800000000, 0.0000028100000000 ] - [ 0.0001090400000000, -0.0000034700000000, 0.0000688700000000 ] - [ 0.0000169100000000, 0.0004443800000000, 0.0000028100000000 ] - [ 0.0001090400000000, 0.0000034700000000, 0.0000688700000000 ] - [ -0.0005812900000000, -0.0000958700000000, -0.0002164800000000 ] - [ -0.0000547100000000, -0.0000043000000000, 0.0000575200000000 ] - [ -0.0005812900000000, 0.0000958700000000, -0.0002164800000000 ] - [ -0.0000547100000000, 0.0000043000000000, 0.0000575200000000 ] - [ -0.0002664000000000, 0.0000000000000000, -0.0000374200000000 ] - [ -0.0000728800000000, 0.0000000000000000, 0.0000640500000000 ] - [ 0.0144629600000000, 0.0000000000000000, 0.0134173800000000 ] - [ 0.0007589900000000, 0.0000000000000000, -0.0008953700000000 ] - [ 0.0007069600000000, 0.0006856000000000, -0.0001961000000000 ] - [ 0.0007624900000000, -0.0000000100000000, -0.0008979000000000 ] - [ 0.0007069600000000, -0.0006856000000000, -0.0001961000000000 ] - [ 0.0007624900000000, 0.0000000100000000, -0.0008979000000000 ] - [ -0.0006679100000000, 0.0000110300000000, 0.0008840300000000 ] - [ -0.0009038200000000, 0.0000999000000000, 0.0008163100000000 ] - [ -0.0006679100000000, -0.0000110300000000, 0.0008840300000000 ] - [ -0.0009038200000000, -0.0000999000000000, 0.0008163100000000 ] - [ -0.0007553800000000, 0.0000000000000000, 0.0009129800000000 ] - [ -0.0007942300000000, 0.0000000000000000, 0.0009565900000000 ] - [ 0.0007430300000000, 0.0000000000000000, 0.0008759000000000 ] - [ 0.0009991900000000, 0.0000000000000000, 0.0009128300000000 ] - [ 0.0007453500000000, 0.0000226400000000, 0.0008760900000000 ] - [ 0.0008928900000000, 0.0000370800000000, 0.0008984700000000 ] - [ 0.0007453500000000, -0.0000226400000000, 0.0008760900000000 ] - [ 0.0008928900000000, -0.0000370800000000, 0.0008984700000000 ] - [ -0.0007196500000000, 0.0005528100000000, -0.0013019500000000 ] - [ -0.0007787200000000, 0.0000036900000000, -0.0009120800000000 ] - [ -0.0007196500000000, -0.0005528100000000, -0.0013019500000000 ] - [ -0.0007787200000000, -0.0000036900000000, -0.0009120800000000 ] - [ -0.0007875100000000, 0.0000000000000000, -0.0011324900000000 ] - [ -0.0007788700000000, 0.0000000000000000, -0.0009134900000000 ] - [ 0.0001311800000000, -0.0000271500000000, -0.0001676200000000 ] - [ 0.0005689500000000, -0.0000290300000000, -0.0001815500000000 ] - [ 0.0001311800000000, 0.0000271500000000, -0.0001676200000000 ] - [ 0.0005689500000000, 0.0000290300000000, -0.0001815500000000 ] - [ 0.0003689600000000, 0.0000000000000000, -0.0002178500000000 ] - [ 0.0004582500000000, 0.0000000000000000, -0.0001826700000000 ] - [ -0.0145483000000000, 0.0000000000000000, -0.0391826000000000 ] - [ 0.0000871800000000, 0.0000000000000000, 0.0001482700000000 ] - [ 0.0000266200000000, 0.0001867900000000, -0.0006004700000000 ] - [ 0.0000874400000000, 0.0000014900000000, 0.0001535100000000 ] - [ 0.0000266200000000, -0.0001867900000000, -0.0006004700000000 ] - [ 0.0000874400000000, -0.0000014900000000, 0.0001535100000000 ] - [ -0.0000819800000000, 0.0000047800000000, -0.0002179200000000 ] - [ 0.0005252300000000, -0.0003730900000000, -0.0004211200000000 ] - [ -0.0000819800000000, -0.0000047800000000, -0.0002179200000000 ] - [ 0.0005252300000000, 0.0003730900000000, -0.0004211200000000 ] - [ -0.0000648000000000, 0.0000000000000000, -0.0001988500000000 ] - [ -0.0000527300000000, 0.0000000000000000, -0.0002898100000000 ] - [ -0.0002219600000000, 0.0000342500000000, -0.0010385000000000 ] - [ -0.0005378600000000, 0.0000263500000000, -0.0011096700000000 ] - [ -0.0002219600000000, -0.0000342500000000, -0.0010385000000000 ] - [ -0.0005378600000000, -0.0000263500000000, -0.0011096700000000 ] - [ -0.0002782200000000, 0.0000000000000000, -0.0010436000000000 ] - [ -0.0003914800000000, 0.0000000000000000, -0.0011091800000000 ] - [ 0.0003723100000000, -0.0003362400000000, 0.0008381000000000 ] - [ 0.0004247100000000, -0.0000019400000000, 0.0001795500000000 ] - [ 0.0003723100000000, 0.0003362400000000, 0.0008381000000000 ] - [ 0.0004247100000000, 0.0000019400000000, 0.0001795500000000 ] - [ 0.0004051000000000, 0.0000000000000000, 0.0004526800000000 ] - [ 0.0004261600000000, 0.0000000000000000, 0.0001788200000000 ] - [ 0.0001307500000000, 0.0000000000000000, -0.0000194600000000 ] - [ -0.0000300200000000, 0.0000000000000000, -0.0000193700000000 ] - [ 0.0001205700000000, -0.0000232800000000, -0.0000844300000000 ] - [ 0.0000136000000000, 0.0000002700000000, -0.0000856600000000 ] - [ 0.0001205700000000, 0.0000232800000000, -0.0000844300000000 ] - [ 0.0000136000000000, -0.0000002700000000, -0.0000856600000000 ] - [ 0.0025990700000000, 0.0000000000000000, 0.0009361400000000 ] - [ -0.0003969300000000, 0.0000000000000000, 0.0001152300000000 ] - [ -0.0001910900000000, -0.0000414600000000, -0.0003160700000000 ] - [ -0.0004024000000000, -0.0000003500000000, 0.0001254400000000 ] - [ -0.0001910900000000, 0.0000414600000000, -0.0003160700000000 ] - [ -0.0004024000000000, 0.0000003500000000, 0.0001254400000000 ] - [ 0.0013683000000000, 0.0060378500000000, 0.0065627600000000 ] - [ -0.0003090400000000, 0.0000005400000000, 0.0010351600000000 ] - [ 0.0013683000000000, -0.0060378500000000, 0.0065627600000000 ] - [ -0.0003090400000000, -0.0000005400000000, 0.0010351600000000 ] - [ -0.0003457100000000, 0.0000000000000000, 0.0009485500000000 ] - [ -0.0003086200000000, 0.0000000000000000, 0.0010353600000000 ] - [ 0.0002506900000000, 0.0000000000000000, -0.0010061700000000 ] - [ 0.0007672800000000, 0.0000000000000000, -0.0008572400000000 ] - [ 0.0002891500000000, 0.0000267800000000, -0.0010122700000000 ] - [ 0.0003623000000000, 0.0000939900000000, -0.0009559800000000 ] - [ 0.0002891500000000, -0.0000267800000000, -0.0010122700000000 ] - [ 0.0003623000000000, -0.0000939900000000, -0.0009559800000000 ] - [ -0.0008107300000000, 0.0000000000000000, 0.0033259600000000 ] - [ 0.0003453700000000, 0.0000000000000000, 0.0010480700000000 ] - [ 0.0002760100000000, 0.0002629800000000, 0.0011714600000000 ] - [ 0.0003373900000000, 0.0000044200000000, 0.0010472700000000 ] - [ 0.0002760100000000, -0.0002629800000000, 0.0011714600000000 ] - [ 0.0003373900000000, -0.0000044200000000, 0.0010472700000000 ] - [ -0.0001596500000000, -0.0001559800000000, 0.0008512500000000 ] - [ -0.0000563000000000, -0.0000048800000000, 0.0002005900000000 ] - [ -0.0001596500000000, 0.0001559800000000, 0.0008512500000000 ] - [ -0.0000563000000000, 0.0000048800000000, 0.0002005900000000 ] - [ -0.0000762300000000, 0.0000000000000000, 0.0004431600000000 ] - [ -0.0000598000000000, 0.0000000000000000, 0.0001934100000000 ] - [ -0.0003633500000000, 0.0000000000000000, -0.0001441900000000 ] - [ -0.0008703300000000, 0.0000000000000000, 0.0003171600000000 ] - [ -0.0003644700000000, -0.0000052900000000, -0.0001446800000000 ] - [ -0.0006337100000000, -0.0001578300000000, 0.0001015400000000 ] - [ -0.0003644700000000, 0.0000052900000000, -0.0001446800000000 ] - [ -0.0006337100000000, 0.0001578300000000, 0.0001015400000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001789000000000, 0.0000000000000000, 0.0007840500000000 ] - [ -0.0001159600000000, 0.0000000000000000, -0.0002119500000000 ] - [ -0.0002430400000000, -0.0001364700000000, 0.0003833700000000 ] - [ -0.0001175000000000, 0.0000007300000000, -0.0002142500000000 ] - [ -0.0002430400000000, 0.0001364700000000, 0.0003833700000000 ] - [ -0.0001175000000000, -0.0000007300000000, -0.0002142500000000 ] - [ 0.0009275300000000, 0.0008700300000000, -0.0017819600000000 ] - [ 0.0001806000000000, -0.0000035100000000, -0.0002605300000000 ] - [ 0.0009275300000000, -0.0008700300000000, -0.0017819600000000 ] - [ 0.0001806000000000, 0.0000035100000000, -0.0002605300000000 ] - [ 0.0001093700000000, 0.0000000000000000, -0.0005282500000000 ] - [ 0.0001647400000000, 0.0000000000000000, -0.0002509500000000 ] - [ -0.0000190000000000, 0.0000000000000000, -0.0000008800000000 ] - [ -0.0000198100000000, 0.0000000000000000, -0.0000173400000000 ] - [ -0.0001071200000000, 0.0000130100000000, 0.0001155200000000 ] - [ -0.0000873300000000, 0.0000548800000000, 0.0000648200000000 ] - [ -0.0001071200000000, -0.0000130100000000, 0.0001155200000000 ] - [ -0.0000873300000000, -0.0000548800000000, 0.0000648200000000 ] - [ -0.0000732300000000, 0.0000016200000000, -0.0000900400000000 ] - [ 0.0018822000000000, -0.0026200400000000, -0.0026880100000000 ] - [ -0.0000732300000000, -0.0000016200000000, -0.0000900400000000 ] - [ 0.0018822000000000, 0.0026200400000000, -0.0026880100000000 ] - [ -0.0000824300000000, 0.0000000000000000, -0.0000846000000000 ] - [ -0.0002174800000000, 0.0000000000000000, -0.0002579900000000 ] - [ -0.0002061500000000, 0.0000000000000000, 0.0001548900000000 ] - [ 0.0002207800000000, 0.0000000000000000, 0.0000356100000000 ] - [ 0.0000238500000000, 0.0000514400000000, 0.0000389000000000 ] - [ 0.0001661200000000, 0.0000194400000000, 0.0000081000000000 ] - [ 0.0000238500000000, -0.0000514400000000, 0.0000389000000000 ] - [ 0.0001661200000000, -0.0000194400000000, 0.0000081000000000 ] - [ 0.0001576900000000, -0.0000003800000000, 0.0002898100000000 ] - [ 0.0001472800000000, -0.0000134200000000, 0.0005664800000000 ] - [ 0.0001576900000000, 0.0000003800000000, 0.0002898100000000 ] - [ 0.0001472800000000, 0.0000134200000000, 0.0005664800000000 ] - [ 0.0001583300000000, 0.0000000000000000, 0.0002756300000000 ] - [ 0.0001001900000000, 0.0000000000000000, 0.0004199800000000 ] - [ -0.0013801700000000, 0.0000000000000000, -0.0032889400000000 ] - [ 0.0001143400000000, 0.0000000000000000, 0.0000543100000000 ] - [ 0.0002122200000000, 0.0004408100000000, 0.0001234900000000 ] - [ 0.0001195900000000, 0.0000035800000000, 0.0000563700000000 ] - [ 0.0002122200000000, -0.0004408100000000, 0.0001234900000000 ] - [ 0.0001195900000000, -0.0000035800000000, 0.0000563700000000 ] - [ 0.0003479500000000, 0.0000899200000000, 0.0003357800000000 ] - [ -0.0001754000000000, 0.0000043700000000, 0.0000676200000000 ] - [ 0.0003479500000000, -0.0000899200000000, 0.0003357800000000 ] - [ -0.0001754000000000, -0.0000043700000000, 0.0000676200000000 ] - [ 0.0000374900000000, 0.0000000000000000, 0.0001612700000000 ] - [ -0.0001572700000000, 0.0000000000000000, 0.0000610700000000 ] - [ -0.0138594600000000, 0.0000000000000000, -0.0160724800000000 ] - [ 0.0007767800000000, 0.0000000000000000, -0.0009085700000000 ] - [ 0.0008298700000000, -0.0006846700000000, -0.0016144700000000 ] - [ 0.0007760700000000, -0.0000000100000000, -0.0009025100000000 ] - [ 0.0008298700000000, 0.0006846700000000, -0.0016144700000000 ] - [ 0.0007760700000000, 0.0000000100000000, -0.0009025100000000 ] - [ -0.0008704600000000, -0.0000112200000000, 0.0009161400000000 ] - [ -0.0006342800000000, -0.0000985000000000, 0.0009906100000000 ] - [ -0.0008704600000000, 0.0000112200000000, 0.0009161400000000 ] - [ -0.0006342800000000, 0.0000985000000000, 0.0009906100000000 ] - [ -0.0007831100000000, 0.0000000000000000, 0.0008831000000000 ] - [ -0.0007442700000000, 0.0000000000000000, 0.0008467400000000 ] - [ 0.0007962000000000, 0.0000000000000000, 0.0009295000000000 ] - [ 0.0005406900000000, 0.0000000000000000, 0.0008895300000000 ] - [ 0.0007944400000000, -0.0000222200000000, 0.0009276200000000 ] - [ 0.0006471600000000, -0.0000372500000000, 0.0009009900000000 ] - [ 0.0007944400000000, 0.0000222200000000, 0.0009276200000000 ] - [ 0.0006471600000000, 0.0000372500000000, 0.0009009900000000 ] - [ -0.0008186000000000, -0.0005474900000000, -0.0005041200000000 ] - [ -0.0007621200000000, -0.0000037300000000, -0.0008911200000000 ] - [ -0.0008186000000000, 0.0005474900000000, -0.0005041200000000 ] - [ -0.0007621200000000, 0.0000037300000000, -0.0008911200000000 ] - [ -0.0007506600000000, 0.0000000000000000, -0.0006716100000000 ] - [ -0.0007614700000000, 0.0000000000000000, -0.0008908700000000 ] - [ 0.0006809100000000, 0.0000275400000000, -0.0001631600000000 ] - [ 0.0002405800000000, 0.0000286100000000, -0.0001456400000000 ] - [ 0.0006809100000000, -0.0000275400000000, -0.0001631600000000 ] - [ 0.0002405800000000, -0.0000286100000000, -0.0001456400000000 ] - [ 0.0004419100000000, 0.0000000000000000, -0.0001113500000000 ] - [ 0.0003539100000000, 0.0000000000000000, -0.0001456400000000 ] - [ 0.0154640500000000, 0.0000000000000000, 0.0403116400000000 ] - [ 0.0000416600000000, 0.0000000000000000, 0.0001776900000000 ] - [ 0.0001009400000000, -0.0001899000000000, 0.0009257700000000 ] - [ 0.0000435100000000, -0.0000015900000000, 0.0001749100000000 ] - [ 0.0001009400000000, 0.0001899000000000, 0.0009257700000000 ] - [ 0.0000435100000000, 0.0000015900000000, 0.0001749100000000 ] - [ -0.0000485600000000, -0.0000045500000000, -0.0001128600000000 ] - [ -0.0006526900000000, 0.0003714900000000, 0.0000903700000000 ] - [ -0.0000485600000000, 0.0000045500000000, -0.0001128600000000 ] - [ -0.0006526900000000, -0.0003714900000000, 0.0000903700000000 ] - [ -0.0000655200000000, 0.0000000000000000, -0.0001306900000000 ] - [ -0.0000789000000000, 0.0000000000000000, -0.0000409800000000 ] - [ -0.0004096100000000, -0.0000338300000000, -0.0010426900000000 ] - [ -0.0000953000000000, -0.0000254500000000, -0.0009723300000000 ] - [ -0.0004096100000000, 0.0000338300000000, -0.0010426900000000 ] - [ -0.0000953000000000, 0.0000254500000000, -0.0009723300000000 ] - [ -0.0003545300000000, 0.0000000000000000, -0.0010382700000000 ] - [ -0.0002417700000000, 0.0000000000000000, -0.0009720000000000 ] - [ 0.0004337300000000, 0.0003329500000000, -0.0005061600000000 ] - [ 0.0003892100000000, 0.0000020200000000, 0.0001488300000000 ] - [ 0.0004337300000000, -0.0003329500000000, -0.0005061600000000 ] - [ 0.0003892100000000, -0.0000020200000000, 0.0001488300000000 ] - [ 0.0004053500000000, 0.0000000000000000, -0.0001242100000000 ] - [ 0.0003875700000000, 0.0000000000000000, 0.0001498300000000 ] - [ 0.0000015200000000, 0.0000000000000000, -0.0003086800000000 ] - [ 0.0001611900000000, 0.0000000000000000, -0.0003090200000000 ] - [ 0.0000111200000000, 0.0000226000000000, -0.0002441900000000 ] - [ 0.0001177700000000, -0.0000000100000000, -0.0002437500000000 ] - [ 0.0000111200000000, -0.0000226000000000, -0.0002441900000000 ] - [ 0.0001177700000000, 0.0000000100000000, -0.0002437500000000 ] - [ -0.0034037400000000, 0.0000000000000000, -0.0006169300000000 ] - [ -0.0004080700000000, 0.0000000000000000, 0.0002112900000000 ] - [ -0.0006187400000000, 0.0000401300000000, 0.0006433600000000 ] - [ -0.0004054000000000, 0.0000003200000000, 0.0002020200000000 ] - [ -0.0006187400000000, -0.0000401300000000, 0.0006433600000000 ] - [ -0.0004054000000000, -0.0000003200000000, 0.0002020200000000 ] - [ -0.0020246400000000, -0.0061202900000000, -0.0045331900000000 ] - [ -0.0003242300000000, 0.0000018200000000, 0.0010505300000000 ] - [ -0.0020246400000000, 0.0061202900000000, -0.0045331900000000 ] - [ -0.0003242300000000, -0.0000018200000000, 0.0010505300000000 ] - [ -0.0002881200000000, 0.0000000000000000, 0.0011364600000000 ] - [ -0.0003243100000000, 0.0000000000000000, 0.0010494700000000 ] - [ 0.0003814700000000, 0.0000000000000000, -0.0010740400000000 ] - [ -0.0001282000000000, 0.0000000000000000, -0.0012250300000000 ] - [ 0.0003432800000000, -0.0000264200000000, -0.0010682700000000 ] - [ 0.0002710100000000, -0.0000955000000000, -0.0011262400000000 ] - [ 0.0003432800000000, 0.0000264200000000, -0.0010682700000000 ] - [ 0.0002710100000000, 0.0000955000000000, -0.0011262400000000 ] - [ 0.0014237500000000, 0.0000000000000000, -0.0012047500000000 ] - [ 0.0002884900000000, 0.0000000000000000, 0.0010342700000000 ] - [ 0.0003562900000000, -0.0002637300000000, 0.0009122100000000 ] - [ 0.0002965800000000, -0.0000036000000000, 0.0010354300000000 ] - [ 0.0003562900000000, 0.0002637300000000, 0.0009122100000000 ] - [ 0.0002965800000000, 0.0000036000000000, 0.0010354300000000 ] - [ 0.0000285900000000, 0.0001552400000000, -0.0005199400000000 ] - [ -0.0000754100000000, 0.0000050500000000, 0.0001300900000000 ] - [ 0.0000285900000000, -0.0001552400000000, -0.0005199400000000 ] - [ -0.0000754100000000, -0.0000050500000000, 0.0001300900000000 ] - [ -0.0000553700000000, 0.0000000000000000, -0.0001130000000000 ] - [ -0.0000716700000000, 0.0000000000000000, 0.0001368400000000 ] - [ -0.0004477000000000, 0.0000000000000000, -0.0001838200000000 ] - [ 0.0000591100000000, 0.0000000000000000, -0.0006442200000000 ] - [ -0.0004461500000000, 0.0000051300000000, -0.0001831500000000 ] - [ -0.0001787100000000, 0.0001578600000000, -0.0004286000000000 ] - [ -0.0004461500000000, -0.0000051300000000, -0.0001831500000000 ] - [ -0.0001787100000000, -0.0001578600000000, -0.0004286000000000 ]- atom: 91 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003042400000000, -0.0000805100000000, -0.0001499600000000 ] - [ -0.0004083200000000, 0.0000547000000000, -0.0004310100000000 ] - [ -0.0002243300000000, 0.0000000000000000, -0.0001894700000000 ] - [ -0.0001730400000000, 0.0000000000000000, -0.0002865300000000 ] - [ -0.0003042400000000, 0.0000805100000000, -0.0001499600000000 ] - [ -0.0004083200000000, -0.0000547000000000, -0.0004310100000000 ] - [ -0.0000209700000000, 0.0000000000000000, -0.0004843000000000 ] - [ -0.0000469500000000, 0.0000000000000000, -0.0001342100000000 ] - [ 0.0001129700000000, -0.0001128800000000, -0.0003567500000000 ] - [ 0.0000079500000000, 0.0000487300000000, -0.0001700500000000 ] - [ 0.0001129700000000, 0.0001128800000000, -0.0003567500000000 ] - [ 0.0000079500000000, -0.0000487300000000, -0.0001700500000000 ] - [ 0.0007400200000000, 0.0004113900000000, 0.0007470000000000 ] - [ -0.0002963900000000, 0.0000006100000000, 0.0002466800000000 ] - [ 0.0000847700000000, 0.0000000000000000, 0.0002310100000000 ] - [ -0.0002804700000000, 0.0000000000000000, 0.0002419700000000 ] - [ 0.0007400200000000, -0.0004113900000000, 0.0007470000000000 ] - [ -0.0002963900000000, -0.0000006100000000, 0.0002466800000000 ] - [ 0.0054756000000000, 0.0000000000000000, -0.0009056600000000 ] - [ -0.0003792400000000, 0.0000000000000000, -0.0000526200000000 ] - [ 0.0000051100000000, 0.0003365800000000, 0.0001264900000000 ] - [ -0.0003161500000000, -0.0000265000000000, -0.0000421700000000 ] - [ 0.0000051100000000, -0.0003365800000000, 0.0001264900000000 ] - [ -0.0003161500000000, 0.0000265000000000, -0.0000421700000000 ] - [ 0.0002552200000000, -0.0000611100000000, 0.0000634900000000 ] - [ -0.0000539600000000, 0.0000094400000000, -0.0000903700000000 ] - [ 0.0002612600000000, 0.0000000000000000, -0.0000477500000000 ] - [ -0.0000379600000000, 0.0000000000000000, -0.0000866600000000 ] - [ 0.0002552200000000, 0.0000611100000000, 0.0000634900000000 ] - [ -0.0000539600000000, -0.0000094400000000, -0.0000903700000000 ] - [ 0.0007638800000000, 0.0000000000000000, -0.0002728600000000 ] - [ -0.0000129700000000, 0.0000000000000000, 0.0002254600000000 ] - [ 0.0005836800000000, 0.0001077000000000, 0.0000717500000000 ] - [ 0.0000012100000000, -0.0000039500000000, 0.0002271200000000 ] - [ 0.0005836800000000, -0.0001077000000000, 0.0000717500000000 ] - [ 0.0000012100000000, 0.0000039500000000, 0.0002271200000000 ] - [ -0.0000562600000000, -0.0000136700000000, 0.0000531100000000 ] - [ 0.0002463400000000, 0.0000877800000000, 0.0001395400000000 ] - [ -0.0000316900000000, 0.0000000000000000, 0.0000653800000000 ] - [ 0.0002711300000000, 0.0000000000000000, 0.0000462300000000 ] - [ -0.0000562600000000, 0.0000136700000000, 0.0000531100000000 ] - [ 0.0002463400000000, -0.0000877800000000, 0.0001395400000000 ] - [ 0.0053238200000000, 0.0000000000000000, -0.0020719300000000 ] - [ -0.0003673300000000, 0.0000000000000000, 0.0000171800000000 ] - [ 0.0000481600000000, -0.0002819000000000, 0.0001604400000000 ] - [ -0.0003107300000000, 0.0000168000000000, 0.0000234300000000 ] - [ 0.0000481600000000, 0.0002819000000000, 0.0001604400000000 ] - [ -0.0003107300000000, -0.0000168000000000, 0.0000234300000000 ] - [ 0.0004884900000000, -0.0000872000000000, -0.0008821300000000 ] - [ 0.0006248500000000, 0.0001135700000000, -0.0009014500000000 ] - [ 0.0007705000000000, 0.0000000000000000, -0.0009841600000000 ] - [ 0.0006968200000000, 0.0000000000000000, -0.0008260700000000 ] - [ 0.0004884900000000, 0.0000872000000000, -0.0008821300000000 ] - [ 0.0006248500000000, -0.0001135700000000, -0.0009014500000000 ] - [ -0.0003575500000000, 0.0000000000000000, 0.0010872200000000 ] - [ -0.0008789200000000, 0.0000000000000000, 0.0008964000000000 ] - [ -0.0005999800000000, 0.0000139300000000, 0.0009038100000000 ] - [ -0.0008705400000000, -0.0000013100000000, 0.0009011000000000 ] - [ -0.0005999800000000, -0.0000139300000000, 0.0009038100000000 ] - [ -0.0008705400000000, 0.0000013100000000, 0.0009011000000000 ] - [ 0.0013598600000000, -0.0021036000000000, 0.0018054900000000 ] - [ 0.0006577700000000, 0.0000003000000000, 0.0009072600000000 ] - [ 0.0009529100000000, 0.0000000000000000, 0.0009140700000000 ] - [ 0.0006704400000000, 0.0000000000000000, 0.0009037300000000 ] - [ 0.0013598600000000, 0.0021036000000000, 0.0018054900000000 ] - [ 0.0006577700000000, -0.0000003000000000, 0.0009072600000000 ] - [ -0.0009213900000000, 0.0000000000000000, -0.0007837500000000 ] - [ -0.0008132200000000, 0.0000000000000000, -0.0009254800000000 ] - [ -0.0008300700000000, -0.0000280800000000, -0.0009270400000000 ] - [ -0.0007928300000000, 0.0000189300000000, -0.0008914300000000 ] - [ -0.0008300700000000, 0.0000280800000000, -0.0009270400000000 ] - [ -0.0007928300000000, -0.0000189300000000, -0.0008914300000000 ] - [ 0.0001056000000000, 0.0000000000000000, 0.0000778200000000 ] - [ 0.0005767500000000, 0.0000000000000000, -0.0001833400000000 ] - [ 0.0002163400000000, 0.0000808200000000, -0.0000602000000000 ] - [ 0.0005622300000000, -0.0000033100000000, -0.0001799000000000 ] - [ 0.0002163400000000, -0.0000808200000000, -0.0000602000000000 ] - [ 0.0005622300000000, 0.0000033100000000, -0.0001799000000000 ] - [ 0.0002867200000000, 0.0000365500000000, 0.0002534200000000 ] - [ 0.0003250400000000, -0.0002675900000000, -0.0000598900000000 ] - [ 0.0001611200000000, 0.0000000000000000, 0.0001975600000000 ] - [ 0.0000707500000000, 0.0000000000000000, 0.0000863900000000 ] - [ 0.0002867200000000, -0.0000365500000000, 0.0002534200000000 ] - [ 0.0003250400000000, 0.0002675900000000, -0.0000598900000000 ] - [ -0.0003872200000000, 0.0000000000000000, -0.0012778000000000 ] - [ 0.0001048000000000, 0.0000000000000000, -0.0001334400000000 ] - [ -0.0003628000000000, -0.0000098800000000, -0.0002004700000000 ] - [ 0.0000908100000000, 0.0000058100000000, -0.0001394400000000 ] - [ -0.0003628000000000, 0.0000098800000000, -0.0002004700000000 ] - [ 0.0000908100000000, -0.0000058100000000, -0.0001394400000000 ] - [ -0.0231849000000000, 0.0000000000000000, -0.0025585400000000 ] - [ -0.0001795500000000, 0.0000000000000000, -0.0010404100000000 ] - [ -0.0008124000000000, 0.0001814000000000, -0.0008219200000000 ] - [ -0.0001955800000000, 0.0000014000000000, -0.0010381800000000 ] - [ -0.0008124000000000, -0.0001814000000000, -0.0008219200000000 ] - [ -0.0001955800000000, -0.0000014000000000, -0.0010381800000000 ] - [ 0.0005702400000000, 0.0000000000000000, 0.0001412200000000 ] - [ 0.0004129200000000, 0.0000000000000000, 0.0003122700000000 ] - [ 0.0005219100000000, 0.0000172000000000, 0.0001596000000000 ] - [ 0.0003792800000000, -0.0000661400000000, 0.0002718100000000 ] - [ 0.0005219100000000, -0.0000172000000000, 0.0001596000000000 ] - [ 0.0003792800000000, 0.0000661400000000, 0.0002718100000000 ] - [ -0.0000742600000000, 0.0006265300000000, -0.0018468300000000 ] - [ 0.0002213500000000, -0.0000050800000000, -0.0001682400000000 ] - [ -0.0002201800000000, 0.0000000000000000, -0.0001338400000000 ] - [ 0.0002063500000000, 0.0000000000000000, -0.0001675700000000 ] - [ -0.0000742600000000, -0.0006265300000000, -0.0018468300000000 ] - [ 0.0002213500000000, 0.0000050800000000, -0.0001682400000000 ] - [ 0.0001750000000000, 0.0004829400000000, 0.0004100200000000 ] - [ -0.0001897900000000, -0.0000280200000000, 0.0001380200000000 ] - [ -0.0004846700000000, 0.0000000000000000, 0.0001926900000000 ] - [ -0.0002428300000000, 0.0000000000000000, 0.0001401100000000 ] - [ 0.0001750000000000, -0.0004829400000000, 0.0004100200000000 ] - [ -0.0001897900000000, 0.0000280200000000, 0.0001380200000000 ] - [ 0.0001215000000000, 0.0000000000000000, 0.0011119600000000 ] - [ 0.0001183700000000, 0.0000000000000000, 0.0011238200000000 ] - [ -0.0002104300000000, 0.0001337900000000, 0.0009943500000000 ] - [ -0.0002098600000000, -0.0001029300000000, 0.0010212500000000 ] - [ -0.0002104300000000, -0.0001337900000000, 0.0009943500000000 ] - [ -0.0002098600000000, 0.0001029300000000, 0.0010212500000000 ] - [ 0.0000683800000000, -0.0000874700000000, -0.0010903300000000 ] - [ 0.0004242300000000, 0.0000039600000000, -0.0010484400000000 ] - [ 0.0001579800000000, 0.0000000000000000, -0.0010082000000000 ] - [ 0.0004161000000000, 0.0000000000000000, -0.0010502100000000 ] - [ 0.0000683800000000, 0.0000874700000000, -0.0010903300000000 ] - [ 0.0004242300000000, -0.0000039600000000, -0.0010484400000000 ] - [ 0.0003616200000000, 0.0000733700000000, 0.0010450700000000 ] - [ 0.0003685900000000, -0.0000276000000000, 0.0010235900000000 ] - [ 0.0003348300000000, 0.0000000000000000, 0.0010709600000000 ] - [ 0.0003480800000000, 0.0000000000000000, 0.0010404900000000 ] - [ 0.0003616200000000, -0.0000733700000000, 0.0010450700000000 ] - [ 0.0003685900000000, 0.0000276000000000, 0.0010235900000000 ] - [ 0.0001619400000000, 0.0000000000000000, -0.0002882700000000 ] - [ 0.0000976900000000, 0.0000000000000000, 0.0002303000000000 ] - [ -0.0000587400000000, 0.0000548500000000, 0.0001150800000000 ] - [ 0.0000551600000000, -0.0000342200000000, 0.0001921700000000 ] - [ -0.0000587400000000, -0.0000548500000000, 0.0001150800000000 ] - [ 0.0000551600000000, 0.0000342200000000, 0.0001921700000000 ] - [ 0.0034460100000000, -0.0022474600000000, 0.0026125700000000 ] - [ -0.0002133300000000, 0.0000120400000000, -0.0001729400000000 ] - [ -0.0006865900000000, 0.0000000000000000, -0.0001786000000000 ] - [ -0.0002394800000000, 0.0000000000000000, -0.0001715400000000 ] - [ 0.0034460100000000, 0.0022474600000000, 0.0026125700000000 ] - [ -0.0002133300000000, -0.0000120400000000, -0.0001729400000000 ]- atom: 91 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000320100000000, 0.0000797800000000, -0.0003076600000000 ] - [ 0.0001353500000000, -0.0000550200000000, -0.0000265100000000 ] - [ -0.0000471200000000, 0.0000000000000000, -0.0002689000000000 ] - [ -0.0000997600000000, 0.0000000000000000, -0.0001717200000000 ] - [ 0.0000320100000000, -0.0000797800000000, -0.0003076600000000 ] - [ 0.0001353500000000, 0.0000550200000000, -0.0000265100000000 ] - [ 0.0002925900000000, 0.0000000000000000, 0.0000245200000000 ] - [ 0.0003193400000000, 0.0000000000000000, -0.0003247800000000 ] - [ 0.0001593700000000, 0.0001123000000000, -0.0001019700000000 ] - [ 0.0002638700000000, -0.0000492600000000, -0.0002883300000000 ] - [ 0.0001593700000000, -0.0001123000000000, -0.0001019700000000 ] - [ 0.0002638700000000, 0.0000492600000000, -0.0002883300000000 ] - [ -0.0010147600000000, -0.0004112300000000, -0.0002859500000000 ] - [ 0.0000244400000000, -0.0000006500000000, 0.0002114300000000 ] - [ -0.0003558100000000, 0.0000000000000000, 0.0002289800000000 ] - [ 0.0000083400000000, 0.0000000000000000, 0.0002161000000000 ] - [ -0.0010147600000000, 0.0004112300000000, -0.0002859500000000 ] - [ 0.0000244400000000, 0.0000006500000000, 0.0002114300000000 ] - [ -0.0060096800000000, 0.0000000000000000, 0.0008493600000000 ] - [ 0.0001482700000000, 0.0000000000000000, -0.0000738300000000 ] - [ -0.0002385500000000, -0.0003375400000000, -0.0002513200000000 ] - [ 0.0000856500000000, 0.0000263000000000, -0.0000840600000000 ] - [ -0.0002385500000000, 0.0003375400000000, -0.0002513200000000 ] - [ 0.0000856500000000, -0.0000263000000000, -0.0000840600000000 ] - [ -0.0000227900000000, 0.0000607500000000, -0.0001906200000000 ] - [ 0.0002839900000000, -0.0000094500000000, -0.0000354700000000 ] - [ -0.0000297300000000, 0.0000000000000000, -0.0000789000000000 ] - [ 0.0002679900000000, 0.0000000000000000, -0.0000393700000000 ] - [ -0.0000227900000000, -0.0000607500000000, -0.0001906200000000 ] - [ 0.0002839900000000, 0.0000094500000000, -0.0000354700000000 ] - [ -0.0004957100000000, 0.0000000000000000, 0.0007281300000000 ] - [ 0.0002844300000000, 0.0000000000000000, 0.0002336400000000 ] - [ -0.0003141100000000, -0.0001068000000000, 0.0003852900000000 ] - [ 0.0002703700000000, 0.0000039600000000, 0.0002321000000000 ] - [ -0.0003141100000000, 0.0001068000000000, 0.0003852900000000 ] - [ 0.0002703700000000, -0.0000039600000000, 0.0002321000000000 ] - [ 0.0002865400000000, 0.0000136200000000, 0.0000731900000000 ] - [ -0.0000174600000000, -0.0000877300000000, -0.0000137300000000 ] - [ 0.0002617200000000, 0.0000000000000000, 0.0000610000000000 ] - [ -0.0000417500000000, 0.0000000000000000, 0.0000802300000000 ] - [ 0.0002865400000000, -0.0000136200000000, 0.0000731900000000 ] - [ -0.0000174600000000, 0.0000877300000000, -0.0000137300000000 ] - [ -0.0053028500000000, 0.0000000000000000, 0.0020744100000000 ] - [ 0.0001371400000000, 0.0000000000000000, 0.0001093900000000 ] - [ -0.0002748000000000, 0.0002810300000000, -0.0000321100000000 ] - [ 0.0000799600000000, -0.0000170200000000, 0.0001031800000000 ] - [ -0.0002748000000000, -0.0002810300000000, -0.0000321100000000 ] - [ 0.0000799600000000, 0.0000170200000000, 0.0001031800000000 ] - [ 0.0010502200000000, 0.0000870300000000, -0.0009354000000000 ] - [ 0.0009156100000000, -0.0001139000000000, -0.0009160700000000 ] - [ 0.0007682100000000, 0.0000000000000000, -0.0008200200000000 ] - [ 0.0008409400000000, 0.0000000000000000, -0.0009881000000000 ] - [ 0.0010502200000000, -0.0000870300000000, -0.0009354000000000 ] - [ 0.0009156100000000, 0.0001139000000000, -0.0009160700000000 ] - [ -0.0011837200000000, 0.0000000000000000, 0.0007271700000000 ] - [ -0.0006624400000000, 0.0000000000000000, 0.0009156900000000 ] - [ -0.0009401200000000, -0.0000137100000000, 0.0009090300000000 ] - [ -0.0006703700000000, 0.0000013400000000, 0.0009159500000000 ] - [ -0.0009401200000000, 0.0000137100000000, 0.0009090300000000 ] - [ -0.0006703700000000, -0.0000013400000000, 0.0009159500000000 ] - [ 0.0002243700000000, 0.0020886600000000, 0.0000001000000000 ] - [ 0.0008843200000000, -0.0000003300000000, 0.0009009600000000 ] - [ 0.0005887900000000, 0.0000000000000000, 0.0008956900000000 ] - [ 0.0008711900000000, 0.0000000000000000, 0.0008953900000000 ] - [ 0.0002243700000000, -0.0020886600000000, 0.0000001000000000 ] - [ 0.0008843200000000, 0.0000003300000000, 0.0009009600000000 ] - [ -0.0006235700000000, 0.0000000000000000, -0.0010247100000000 ] - [ -0.0007280600000000, 0.0000000000000000, -0.0008976200000000 ] - [ -0.0007136900000000, 0.0000275500000000, -0.0008858500000000 ] - [ -0.0007502600000000, -0.0000189700000000, -0.0009204800000000 ] - [ -0.0007136900000000, -0.0000275500000000, -0.0008858500000000 ] - [ -0.0007502600000000, 0.0000189700000000, -0.0009204800000000 ] - [ 0.0006986700000000, 0.0000000000000000, -0.0004088900000000 ] - [ 0.0002304200000000, 0.0000000000000000, -0.0001481700000000 ] - [ 0.0005863500000000, -0.0000809600000000, -0.0002711100000000 ] - [ 0.0002428400000000, 0.0000034200000000, -0.0001512000000000 ] - [ 0.0005863500000000, 0.0000809600000000, -0.0002711100000000 ] - [ 0.0002428400000000, -0.0000034200000000, -0.0001512000000000 ] - [ -0.0001694100000000, -0.0000361900000000, 0.0000651100000000 ] - [ -0.0002098500000000, 0.0002711700000000, 0.0003799100000000 ] - [ -0.0000474400000000, 0.0000000000000000, 0.0001178000000000 ] - [ 0.0000453200000000, 0.0000000000000000, 0.0002300200000000 ] - [ -0.0001694100000000, 0.0000361900000000, 0.0000651100000000 ] - [ -0.0002098500000000, -0.0002711700000000, 0.0003799100000000 ] - [ 0.0002726800000000, 0.0000000000000000, 0.0009590600000000 ] - [ -0.0002247900000000, 0.0000000000000000, -0.0001872000000000 ] - [ 0.0002463300000000, 0.0000098800000000, -0.0001179400000000 ] - [ -0.0002091500000000, -0.0000056300000000, -0.0001792100000000 ] - [ 0.0002463300000000, -0.0000098800000000, -0.0001179400000000 ] - [ -0.0002091500000000, 0.0000056300000000, -0.0001792100000000 ] - [ 0.0225940900000000, 0.0000000000000000, 0.0005044800000000 ] - [ -0.0004486600000000, 0.0000000000000000, -0.0010473600000000 ] - [ 0.0001861400000000, -0.0001849800000000, -0.0012605400000000 ] - [ -0.0004333100000000, 0.0000024200000000, -0.0010516800000000 ] - [ 0.0001861400000000, 0.0001849800000000, -0.0012605400000000 ] - [ -0.0004333100000000, -0.0000024200000000, -0.0010516800000000 ] - [ 0.0002400800000000, 0.0000000000000000, 0.0001914200000000 ] - [ 0.0004033800000000, 0.0000000000000000, 0.0000221200000000 ] - [ 0.0002844300000000, -0.0000169200000000, 0.0001725400000000 ] - [ 0.0004347200000000, 0.0000662200000000, 0.0000619500000000 ] - [ 0.0002844300000000, 0.0000169200000000, 0.0001725400000000 ] - [ 0.0004347200000000, -0.0000662200000000, 0.0000619500000000 ] - [ 0.0001773500000000, -0.0006350200000000, 0.0015480800000000 ] - [ -0.0001016300000000, 0.0000050600000000, -0.0001528800000000 ] - [ 0.0003389100000000, 0.0000000000000000, -0.0001861100000000 ] - [ -0.0000906400000000, 0.0000000000000000, -0.0001488100000000 ] - [ 0.0001773500000000, 0.0006350200000000, 0.0015480800000000 ] - [ -0.0001016300000000, -0.0000050600000000, -0.0001528800000000 ] - [ -0.0009753500000000, -0.0004790800000000, -0.0000766200000000 ] - [ -0.0006140000000000, 0.0000284000000000, 0.0001932000000000 ] - [ -0.0003173600000000, 0.0000000000000000, 0.0001378400000000 ] - [ -0.0005580900000000, 0.0000000000000000, 0.0001909500000000 ] - [ -0.0009753500000000, 0.0004790800000000, -0.0000766200000000 ] - [ -0.0006140000000000, -0.0000284000000000, 0.0001932000000000 ] - [ -0.0007469300000000, 0.0000000000000000, 0.0009806500000000 ] - [ -0.0007503100000000, 0.0000000000000000, 0.0009647200000000 ] - [ -0.0004192600000000, -0.0001310800000000, 0.0010984000000000 ] - [ -0.0004190200000000, 0.0001040800000000, 0.0010704600000000 ] - [ -0.0004192600000000, 0.0001310800000000, 0.0010984000000000 ] - [ -0.0004190200000000, -0.0001040800000000, 0.0010704600000000 ] - [ 0.0005603400000000, 0.0000879700000000, -0.0009979900000000 ] - [ 0.0002043500000000, -0.0000027000000000, -0.0010405000000000 ] - [ 0.0004706900000000, 0.0000000000000000, -0.0010813100000000 ] - [ 0.0002125100000000, 0.0000000000000000, -0.0010400500000000 ] - [ 0.0005603400000000, -0.0000879700000000, -0.0009979900000000 ] - [ 0.0002043500000000, 0.0000027000000000, -0.0010405000000000 ] - [ 0.0002656100000000, -0.0000705900000000, 0.0010416400000000 ] - [ 0.0002591300000000, 0.0000277600000000, 0.0010632400000000 ] - [ 0.0002928600000000, 0.0000000000000000, 0.0010177200000000 ] - [ 0.0002793900000000, 0.0000000000000000, 0.0010457800000000 ] - [ 0.0002656100000000, 0.0000705900000000, 0.0010416400000000 ] - [ 0.0002591300000000, -0.0000277600000000, 0.0010632400000000 ] - [ -0.0002826900000000, 0.0000000000000000, 0.0006060600000000 ] - [ -0.0002220400000000, 0.0000000000000000, 0.0000953300000000 ] - [ -0.0000618100000000, -0.0000546700000000, 0.0002052100000000 ] - [ -0.0001775500000000, 0.0000343000000000, 0.0001317600000000 ] - [ -0.0000618100000000, 0.0000546700000000, 0.0002052100000000 ] - [ -0.0001775500000000, -0.0000343000000000, 0.0001317600000000 ] - [ -0.0042591900000000, 0.0022645500000000, -0.0029561300000000 ] - [ -0.0005950600000000, -0.0000118200000000, -0.0001591600000000 ] - [ -0.0001196100000000, 0.0000000000000000, -0.0001530800000000 ] - [ -0.0005634900000000, 0.0000000000000000, -0.0001591800000000 ] - [ -0.0042591900000000, -0.0022645500000000, -0.0029561300000000 ] - [ -0.0005950600000000, 0.0000118200000000, -0.0001591600000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001865800000000, 0.0000442500000000, -0.0002175500000000 ] - [ 0.0002810200000000, 0.0001285300000000, -0.0000542600000000 ] - [ -0.0001360000000000, -0.0000879300000000, -0.0002289700000000 ] - [ -0.0001358100000000, -0.0002083900000000, -0.0002290100000000 ] - [ -0.0000851000000000, 0.0000439100000000, -0.0002404000000000 ] - [ -0.0005541400000000, 0.0001275900000000, -0.0004046700000000 ] - [ 0.0001354900000000, 0.0002122500000000, -0.0002288800000000 ] - [ 0.0001356800000000, 0.0000534400000000, -0.0002287600000000 ] - [ 0.0000252000000000, -0.0001057400000000, -0.0002684000000000 ] - [ 0.0001597500000000, -0.0000266300000000, -0.0002385600000000 ] - [ 0.0002456100000000, -0.0001058200000000, -0.0001893400000000 ] - [ 0.0001117900000000, -0.0000268200000000, -0.0002190200000000 ] - [ 0.0002290400000000, 0.0020543800000000, 0.0013837500000000 ] - [ -0.0001318400000000, 0.0000046800000000, 0.0002261500000000 ] - [ -0.0001360600000000, -0.0006695700000000, 0.0002276300000000 ] - [ -0.0001359500000000, -0.0000095000000000, 0.0002288700000000 ] - [ -0.0004818200000000, 0.0020092500000000, -0.0008584800000000 ] - [ -0.0001402000000000, 0.0000047400000000, 0.0002316800000000 ] - [ -0.0001031800000000, 0.0010604700000000, -0.0000629000000000 ] - [ -0.0001145800000000, 0.0000402900000000, -0.0000628100000000 ] - [ 0.0003520600000000, -0.0004333900000000, -0.0003550600000000 ] - [ -0.0001465800000000, -0.0000199500000000, -0.0000621800000000 ] - [ -0.0005792000000000, -0.0004350800000000, 0.0002314100000000 ] - [ -0.0000827800000000, -0.0000199900000000, -0.0000633800000000 ] - [ -0.0001422500000000, 0.0001547500000000, 0.0002640200000000 ] - [ 0.0001307600000000, 0.0000122800000000, -0.0000574400000000 ] - [ 0.0001142300000000, -0.0002683200000000, -0.0000633300000000 ] - [ 0.0001142800000000, -0.0000251200000000, -0.0000629200000000 ] - [ 0.0003713500000000, 0.0001537900000000, -0.0003922900000000 ] - [ 0.0000976700000000, 0.0000122700000000, -0.0000683900000000 ] - [ 0.0001351200000000, 0.0012284000000000, 0.0002259900000000 ] - [ 0.0001357400000000, 0.0000107100000000, 0.0002288600000000 ] - [ 0.0002547000000000, -0.0006448400000000, 0.0006221400000000 ] - [ 0.0001294100000000, -0.0000055400000000, 0.0002271700000000 ] - [ 0.0000156100000000, -0.0006494900000000, -0.0001699500000000 ] - [ 0.0001419700000000, -0.0000055500000000, 0.0002306500000000 ] - [ 0.0000906600000000, 0.0000117100000000, 0.0000534400000000 ] - [ 0.0001962100000000, 0.0000827200000000, 0.0000510100000000 ] - [ 0.0001140800000000, -0.0000238900000000, 0.0000627600000000 ] - [ 0.0001147900000000, -0.0001675900000000, 0.0000624800000000 ] - [ 0.0001376700000000, 0.0000116700000000, 0.0000722400000000 ] - [ 0.0000331900000000, 0.0000821900000000, 0.0000742600000000 ] - [ -0.0001237000000000, 0.0011136700000000, 0.0000699600000000 ] - [ -0.0001146600000000, 0.0000262700000000, 0.0000627700000000 ] - [ -0.0006273400000000, -0.0004513600000000, 0.0000450200000000 ] - [ -0.0000796300000000, -0.0000130100000000, 0.0000594700000000 ] - [ 0.0003991600000000, -0.0004532500000000, 0.0000832500000000 ] - [ -0.0001494000000000, -0.0000130700000000, 0.0000661600000000 ] - [ 0.0005263300000000, 0.0000727300000000, -0.0007983100000000 ] - [ 0.0007951800000000, 0.0000802100000000, -0.0008710400000000 ] - [ 0.0007706100000000, -0.0000809800000000, -0.0009065600000000 ] - [ 0.0007706000000000, -0.0001171500000000, -0.0009046300000000 ] - [ 0.0010136600000000, 0.0000723100000000, -0.0010170800000000 ] - [ 0.0007453200000000, 0.0000793500000000, -0.0009432800000000 ] - [ -0.0007704700000000, 0.0002549500000000, 0.0009058200000000 ] - [ -0.0007706300000000, -0.0000075600000000, 0.0009044200000000 ] - [ -0.0007545800000000, -0.0001387500000000, 0.0007656100000000 ] - [ -0.0007698500000000, -0.0000173600000000, 0.0009007000000000 ] - [ -0.0007854500000000, -0.0001390400000000, 0.0010452900000000 ] - [ -0.0007707500000000, -0.0000172300000000, 0.0009130500000000 ] - [ 0.0004355300000000, 0.0089591300000000, 0.0002760200000000 ] - [ 0.0007678200000000, -0.0000102800000000, 0.0009004200000000 ] - [ 0.0007737200000000, -0.0018522600000000, 0.0009123100000000 ] - [ 0.0007715900000000, -0.0000216300000000, 0.0009047100000000 ] - [ 0.0009399200000000, 0.0080667200000000, 0.0010280400000000 ] - [ 0.0007752100000000, -0.0000102200000000, 0.0009120900000000 ] - [ -0.0007712100000000, 0.0000772300000000, -0.0009052900000000 ] - [ -0.0007722200000000, 0.0000560900000000, -0.0009062000000000 ] - [ -0.0008197000000000, -0.0000173000000000, -0.0008273900000000 ] - [ -0.0006939200000000, -0.0000077200000000, -0.0008561800000000 ] - [ -0.0007227300000000, -0.0000172900000000, -0.0009845600000000 ] - [ -0.0008484200000000, -0.0000078900000000, -0.0009553800000000 ] - [ 0.0004074500000000, -0.0004526200000000, -0.0001646600000000 ] - [ 0.0004074800000000, -0.0000098100000000, -0.0001653600000000 ] - [ 0.0005161900000000, 0.0003124000000000, 0.0000670300000000 ] - [ 0.0004022800000000, 0.0000048000000000, -0.0001638700000000 ] - [ 0.0002996500000000, 0.0003109200000000, -0.0003954200000000 ] - [ 0.0004125700000000, 0.0000047700000000, -0.0001666700000000 ] - [ 0.0001778000000000, -0.0000280500000000, 0.0001982800000000 ] - [ -0.0000281900000000, -0.0000868700000000, 0.0001888900000000 ] - [ 0.0000653100000000, 0.0000542600000000, 0.0001655300000000 ] - [ 0.0000632500000000, 0.0001521400000000, 0.0001635900000000 ] - [ -0.0000484900000000, -0.0000281800000000, 0.0001303700000000 ] - [ 0.0001555100000000, -0.0000861700000000, 0.0001382500000000 ] - [ -0.0000637800000000, -0.0006041900000000, -0.0001666300000000 ] - [ -0.0000635100000000, -0.0000144900000000, -0.0001638400000000 ] - [ -0.0002263400000000, 0.0002325200000000, 0.0000987000000000 ] - [ -0.0000561400000000, 0.0000071700000000, -0.0001596100000000 ] - [ 0.0000956700000000, 0.0002320100000000, -0.0004264100000000 ] - [ -0.0000716700000000, 0.0000070700000000, -0.0001688300000000 ] - [ -0.0001405700000000, -0.0417284600000000, -0.0005070600000000 ] - [ -0.0003151900000000, -0.0000117200000000, -0.0010431500000000 ] - [ -0.0004997900000000, 0.0053693000000000, -0.0016590700000000 ] - [ -0.0003160500000000, 0.0000060500000000, -0.0010436800000000 ] - [ -0.0001309000000000, 0.0052774200000000, -0.0004280300000000 ] - [ -0.0003145000000000, 0.0000056000000000, -0.0010426600000000 ] - [ 0.0004086500000000, -0.0000292200000000, 0.0001656800000000 ] - [ 0.0004087000000000, -0.0001903100000000, 0.0001657200000000 ] - [ 0.0004454800000000, 0.0000145600000000, 0.0001582000000000 ] - [ 0.0002735700000000, 0.0001026800000000, 0.0000074800000000 ] - [ 0.0003714400000000, 0.0000145300000000, 0.0001730800000000 ] - [ 0.0005428300000000, 0.0001029500000000, 0.0003231700000000 ] - [ 0.0022947700000000, 0.0026653100000000, -0.0062730300000000 ] - [ 0.0000593600000000, -0.0000069900000000, -0.0001638400000000 ] - [ 0.0000633500000000, 0.0006857800000000, -0.0001656700000000 ] - [ 0.0000641100000000, 0.0000135900000000, -0.0001647300000000 ] - [ -0.0021496200000000, 0.0026493300000000, 0.0058863900000000 ] - [ 0.0000693400000000, -0.0000070300000000, -0.0001658100000000 ] - [ 0.0002519200000000, -0.0000422400000000, 0.0002253300000000 ] - [ -0.0004289500000000, -0.0000199400000000, 0.0001650700000000 ] - [ -0.0004079100000000, 0.0002480000000000, 0.0001653500000000 ] - [ -0.0004065900000000, 0.0000407200000000, 0.0001652300000000 ] - [ -0.0010635600000000, -0.0000419000000000, 0.0001037900000000 ] - [ -0.0003844300000000, -0.0000198200000000, 0.0001652700000000 ] - [ -0.0003158700000000, -0.0001843800000000, 0.0010432700000000 ] - [ -0.0003149800000000, -0.0001836800000000, 0.0010442000000000 ] - [ -0.0002129400000000, 0.0000973800000000, 0.0010324100000000 ] - [ -0.0004488000000000, 0.0000978300000000, 0.0010886200000000 ] - [ -0.0004174300000000, 0.0000996000000000, 0.0010534500000000 ] - [ -0.0001820000000000, 0.0000984900000000, 0.0010001300000000 ] - [ 0.0002268200000000, -0.0001843400000000, -0.0012213800000000 ] - [ 0.0003177400000000, -0.0000051000000000, -0.0010436400000000 ] - [ 0.0003147100000000, 0.0003275100000000, -0.0010427900000000 ] - [ 0.0003150100000000, 0.0000104500000000, -0.0010434700000000 ] - [ 0.0004026700000000, -0.0001835500000000, -0.0008636800000000 ] - [ 0.0003121800000000, -0.0000055800000000, -0.0010431000000000 ] - [ 0.0003871300000000, -0.0000541200000000, 0.0010357600000000 ] - [ 0.0002888500000000, -0.0000440100000000, 0.0010393900000000 ] - [ 0.0003153600000000, 0.0001109800000000, 0.0010429700000000 ] - [ 0.0003152800000000, 0.0000907000000000, 0.0010430500000000 ] - [ 0.0002433700000000, -0.0000543100000000, 0.0010503500000000 ] - [ 0.0003417600000000, -0.0000444200000000, 0.0010464200000000 ] - [ -0.0000652100000000, -0.0001863500000000, 0.0001657500000000 ] - [ -0.0000646300000000, -0.0001050100000000, 0.0001647900000000 ] - [ 0.0001152600000000, 0.0001004300000000, 0.0000718600000000 ] - [ -0.0001253000000000, 0.0000484500000000, 0.0001368700000000 ] - [ -0.0002441500000000, 0.0001007800000000, 0.0002583700000000 ] - [ -0.0000037100000000, 0.0000485300000000, 0.0001923800000000 ] - [ -0.0056310600000000, 0.0025883700000000, -0.0039211800000000 ] - [ -0.0003957200000000, -0.0000077700000000, -0.0001653400000000 ] - [ -0.0004083000000000, 0.0006663900000000, -0.0001670000000000 ] - [ -0.0004078300000000, 0.0000154000000000, -0.0001654800000000 ] - [ 0.0047707100000000, 0.0025729000000000, 0.0035536200000000 ] - [ -0.0004204400000000, -0.0000078900000000, -0.0001657300000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000741300000000, 0.0000209900000000, -0.0001977100000000 ] - [ -0.0003655800000000, -0.0000164400000000, -0.0003204800000000 ] - [ -0.0001035900000000, 0.0000000000000000, -0.0001976000000000 ] - [ -0.0002010700000000, 0.0000000000000000, -0.0002601500000000 ] - [ -0.0000741300000000, -0.0000209900000000, -0.0001977100000000 ] - [ -0.0003655800000000, 0.0000164400000000, -0.0003204800000000 ] - [ -0.0001259000000000, 0.0000000000000000, -0.0002991600000000 ] - [ 0.0001909600000000, 0.0000000000000000, -0.0002422100000000 ] - [ 0.0000154200000000, -0.0000473600000000, -0.0002609800000000 ] - [ 0.0001637600000000, -0.0000194600000000, -0.0002317900000000 ] - [ 0.0000154200000000, 0.0000473600000000, -0.0002609800000000 ] - [ 0.0001637600000000, 0.0000194600000000, -0.0002317900000000 ] - [ 0.0004473600000000, 0.0015457800000000, 0.0028175100000000 ] - [ -0.0001405800000000, -0.0000013500000000, 0.0002293600000000 ] - [ -0.0001445100000000, 0.0000000000000000, 0.0003413800000000 ] - [ -0.0001445800000000, 0.0000000000000000, 0.0002308000000000 ] - [ 0.0004473600000000, -0.0015457800000000, 0.0028175100000000 ] - [ -0.0001405800000000, 0.0000013500000000, 0.0002293600000000 ] - [ -0.0009384700000000, 0.0000000000000000, 0.0008185100000000 ] - [ -0.0001427200000000, 0.0000000000000000, -0.0000420000000000 ] - [ -0.0000620400000000, 0.0000086300000000, 0.0002815400000000 ] - [ -0.0001447100000000, -0.0000042700000000, -0.0000497800000000 ] - [ -0.0000620400000000, -0.0000086300000000, 0.0002815400000000 ] - [ -0.0001447100000000, 0.0000042700000000, -0.0000497800000000 ] - [ 0.0001696000000000, -0.0000321300000000, -0.0006254300000000 ] - [ 0.0000999500000000, 0.0000007900000000, -0.0000789700000000 ] - [ 0.0000805600000000, 0.0000000000000000, -0.0003075900000000 ] - [ 0.0000999700000000, 0.0000000000000000, -0.0000753200000000 ] - [ 0.0001696000000000, 0.0000321300000000, -0.0006254300000000 ] - [ 0.0000999500000000, -0.0000007900000000, -0.0000789700000000 ] - [ -0.0003036400000000, 0.0000000000000000, -0.0008755600000000 ] - [ 0.0001369400000000, 0.0000000000000000, 0.0002319300000000 ] - [ 0.0000220400000000, 0.0002744000000000, -0.0000236900000000 ] - [ 0.0001337500000000, 0.0000006600000000, 0.0002312700000000 ] - [ 0.0000220400000000, -0.0002744000000000, -0.0000236900000000 ] - [ 0.0001337500000000, -0.0000006600000000, 0.0002312700000000 ] - [ 0.0001074200000000, 0.0000011000000000, 0.0000344500000000 ] - [ 0.0003816900000000, -0.0001539300000000, -0.0002029100000000 ] - [ 0.0001063100000000, 0.0000000000000000, 0.0000431400000000 ] - [ 0.0002461600000000, 0.0000000000000000, -0.0000472100000000 ] - [ 0.0001074200000000, -0.0000011000000000, 0.0000344500000000 ] - [ 0.0003816900000000, 0.0001539300000000, -0.0002029100000000 ] - [ -0.0022547000000000, 0.0000000000000000, 0.0018703800000000 ] - [ -0.0001249500000000, 0.0000000000000000, 0.0000809300000000 ] - [ 0.0000999100000000, 0.0001744600000000, 0.0004226000000000 ] - [ -0.0001354300000000, -0.0000034600000000, 0.0000727800000000 ] - [ 0.0000999100000000, -0.0001744600000000, 0.0004226000000000 ] - [ -0.0001354300000000, 0.0000034600000000, 0.0000727800000000 ] - [ 0.0005927700000000, 0.0000250800000000, -0.0008311100000000 ] - [ 0.0008077400000000, -0.0000221300000000, -0.0008218200000000 ] - [ 0.0007445300000000, 0.0000000000000000, -0.0008984100000000 ] - [ 0.0007748000000000, 0.0000000000000000, -0.0008517400000000 ] - [ 0.0005927700000000, -0.0000250800000000, -0.0008311100000000 ] - [ 0.0008077400000000, 0.0000221300000000, -0.0008218200000000 ] - [ -0.0009727900000000, 0.0000000000000000, 0.0003575100000000 ] - [ -0.0007741600000000, 0.0000000000000000, 0.0008954800000000 ] - [ -0.0007424500000000, -0.0000218500000000, 0.0008222600000000 ] - [ -0.0007750100000000, 0.0000000400000000, 0.0008991000000000 ] - [ -0.0007424500000000, 0.0000218500000000, 0.0008222600000000 ] - [ -0.0007750100000000, -0.0000000400000000, 0.0008991000000000 ] - [ 0.0016917300000000, -0.0062679400000000, 0.0036603300000000 ] - [ 0.0007662100000000, -0.0000007000000000, 0.0009029600000000 ] - [ 0.0008047500000000, 0.0000000000000000, 0.0010314500000000 ] - [ 0.0007648700000000, 0.0000000000000000, 0.0009012400000000 ] - [ 0.0016917300000000, 0.0062679400000000, 0.0036603300000000 ] - [ 0.0007662100000000, 0.0000007000000000, 0.0009029600000000 ] - [ -0.0007094500000000, 0.0000000000000000, -0.0010053100000000 ] - [ -0.0008061200000000, 0.0000000000000000, -0.0009329800000000 ] - [ -0.0007395100000000, 0.0000011500000000, -0.0009638000000000 ] - [ -0.0007909500000000, -0.0000053600000000, -0.0009231000000000 ] - [ -0.0007395100000000, -0.0000011500000000, -0.0009638000000000 ] - [ -0.0007909500000000, 0.0000053600000000, -0.0009231000000000 ] - [ 0.0006864800000000, 0.0000000000000000, 0.0005196300000000 ] - [ 0.0004015800000000, 0.0000000000000000, -0.0001558300000000 ] - [ 0.0005656600000000, 0.0002172600000000, 0.0002221300000000 ] - [ 0.0004055900000000, 0.0000010400000000, -0.0001581400000000 ] - [ 0.0005656600000000, -0.0002172600000000, 0.0002221300000000 ] - [ 0.0004055900000000, -0.0000010400000000, -0.0001581400000000 ] - [ 0.0001399600000000, 0.0000045100000000, 0.0001600400000000 ] - [ -0.0001023300000000, 0.0000867100000000, 0.0000885200000000 ] - [ 0.0000887100000000, 0.0000000000000000, 0.0001541200000000 ] - [ 0.0000245100000000, 0.0000000000000000, 0.0000876700000000 ] - [ 0.0001399600000000, -0.0000045100000000, 0.0001600400000000 ] - [ -0.0001023300000000, -0.0000867100000000, 0.0000885200000000 ] - [ -0.0010960300000000, 0.0000000000000000, 0.0021287600000000 ] - [ -0.0000463000000000, 0.0000000000000000, -0.0001514600000000 ] - [ -0.0002477500000000, 0.0002224100000000, -0.0000266500000000 ] - [ -0.0000471800000000, 0.0000012300000000, -0.0001524200000000 ] - [ -0.0002477500000000, -0.0002224100000000, -0.0000266500000000 ] - [ -0.0000471800000000, -0.0000012300000000, -0.0001524200000000 ] - [ -0.0018455300000000, 0.0000000000000000, -0.0311640600000000 ] - [ -0.0003093600000000, 0.0000000000000000, -0.0010476000000000 ] - [ -0.0000963200000000, 0.0006063700000000, -0.0007574300000000 ] - [ -0.0003072700000000, 0.0000039800000000, -0.0010494100000000 ] - [ -0.0000963200000000, -0.0006063700000000, -0.0007574300000000 ] - [ -0.0003072700000000, -0.0000039800000000, -0.0010494100000000 ] - [ 0.0003707500000000, 0.0000000000000000, 0.0001901900000000 ] - [ 0.0004556700000000, 0.0000000000000000, 0.0004211300000000 ] - [ 0.0003848000000000, -0.0000022200000000, 0.0001835600000000 ] - [ 0.0004273900000000, -0.0000129700000000, 0.0003453400000000 ] - [ 0.0003848000000000, 0.0000022200000000, 0.0001835600000000 ] - [ 0.0004273900000000, 0.0000129700000000, 0.0003453400000000 ] - [ -0.0027791500000000, -0.0031186700000000, 0.0053700400000000 ] - [ 0.0000716900000000, 0.0000006300000000, -0.0001665000000000 ] - [ 0.0000729900000000, 0.0000000000000000, -0.0002528500000000 ] - [ 0.0000697000000000, 0.0000000000000000, -0.0001614400000000 ] - [ -0.0027791500000000, 0.0031186700000000, 0.0053700400000000 ] - [ 0.0000716900000000, -0.0000006300000000, -0.0001665000000000 ] - [ 0.0000376100000000, 0.0001295400000000, -0.0001639300000000 ] - [ -0.0004139400000000, 0.0000059800000000, 0.0001414300000000 ] - [ -0.0003594900000000, 0.0000000000000000, 0.0000353900000000 ] - [ -0.0003819800000000, 0.0000000000000000, 0.0001395500000000 ] - [ 0.0000376100000000, -0.0001295400000000, -0.0001639300000000 ] - [ -0.0004139400000000, -0.0000059800000000, 0.0001414300000000 ] - [ -0.0003936400000000, 0.0000000000000000, 0.0009060500000000 ] - [ -0.0003790100000000, 0.0000000000000000, 0.0009058500000000 ] - [ -0.0002909900000000, 0.0000451300000000, 0.0009689100000000 ] - [ -0.0002620200000000, -0.0000098800000000, 0.0009685500000000 ] - [ -0.0002909900000000, -0.0000451300000000, 0.0009689100000000 ] - [ -0.0002620200000000, 0.0000098800000000, 0.0009685500000000 ] - [ 0.0003616800000000, 0.0001786400000000, -0.0005714000000000 ] - [ 0.0003186600000000, -0.0000002200000000, -0.0010398700000000 ] - [ 0.0002784000000000, 0.0000000000000000, -0.0008536900000000 ] - [ 0.0003193600000000, 0.0000000000000000, -0.0010402200000000 ] - [ 0.0003616800000000, -0.0001786400000000, -0.0005714000000000 ] - [ 0.0003186600000000, 0.0000002200000000, -0.0010398700000000 ] - [ 0.0003147800000000, -0.0000050200000000, 0.0011432600000000 ] - [ 0.0002950700000000, -0.0000043900000000, 0.0010940800000000 ] - [ 0.0003399200000000, 0.0000000000000000, 0.0011168300000000 ] - [ 0.0003127600000000, 0.0000000000000000, 0.0010751100000000 ] - [ 0.0003147800000000, 0.0000050200000000, 0.0011432600000000 ] - [ 0.0002950700000000, 0.0000043900000000, 0.0010940800000000 ] - [ -0.0002655300000000, 0.0000000000000000, 0.0003452000000000 ] - [ -0.0000107900000000, 0.0000000000000000, 0.0001963400000000 ] - [ -0.0001854100000000, -0.0000577800000000, 0.0002441100000000 ] - [ -0.0000308300000000, -0.0000156000000000, 0.0001895200000000 ] - [ -0.0001854100000000, 0.0000577800000000, 0.0002441100000000 ] - [ -0.0000308300000000, 0.0000156000000000, 0.0001895200000000 ] - [ 0.0034575100000000, -0.0021586200000000, 0.0014453400000000 ] - [ -0.0004007100000000, -0.0000010800000000, -0.0001795800000000 ] - [ -0.0004364800000000, 0.0000000000000000, -0.0002699300000000 ] - [ -0.0003908300000000, 0.0000000000000000, -0.0001764400000000 ] - [ 0.0034575100000000, 0.0021586200000000, 0.0014453400000000 ] - [ -0.0004007100000000, 0.0000010800000000, -0.0001795800000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001979700000000, -0.0000206900000000, -0.0002612000000000 ] - [ 0.0000919400000000, 0.0000164000000000, -0.0001389400000000 ] - [ -0.0001684000000000, 0.0000000000000000, -0.0002619600000000 ] - [ -0.0000719500000000, 0.0000000000000000, -0.0001991700000000 ] - [ -0.0001979700000000, 0.0000206900000000, -0.0002612000000000 ] - [ 0.0000919400000000, -0.0000164000000000, -0.0001389400000000 ] - [ 0.0003963000000000, 0.0000000000000000, -0.0001587900000000 ] - [ 0.0000813200000000, 0.0000000000000000, -0.0002158700000000 ] - [ 0.0002560500000000, 0.0000469800000000, -0.0001962500000000 ] - [ 0.0001084400000000, 0.0000192800000000, -0.0002262700000000 ] - [ 0.0002560500000000, -0.0000469800000000, -0.0001962500000000 ] - [ 0.0001084400000000, -0.0000192800000000, -0.0002262700000000 ] - [ -0.0006895800000000, -0.0014562500000000, -0.0022654700000000 ] - [ -0.0001318200000000, 0.0000012000000000, 0.0002288700000000 ] - [ -0.0001264300000000, 0.0000000000000000, 0.0001222100000000 ] - [ -0.0001278200000000, 0.0000000000000000, 0.0002271700000000 ] - [ -0.0006895800000000, 0.0014562500000000, -0.0022654700000000 ] - [ -0.0001318200000000, -0.0000012000000000, 0.0002288700000000 ] - [ 0.0007141600000000, 0.0000000000000000, -0.0009458300000000 ] - [ -0.0000873900000000, 0.0000000000000000, -0.0000840300000000 ] - [ -0.0001706800000000, -0.0000088200000000, -0.0004042400000000 ] - [ -0.0000853300000000, 0.0000042200000000, -0.0000762800000000 ] - [ -0.0001706800000000, 0.0000088200000000, -0.0004042400000000 ] - [ -0.0000853300000000, -0.0000042200000000, -0.0000762800000000 ] - [ 0.0000600300000000, 0.0000321300000000, 0.0004974600000000 ] - [ 0.0001301400000000, -0.0000008500000000, -0.0000471800000000 ] - [ 0.0001500900000000, 0.0000000000000000, 0.0001797800000000 ] - [ 0.0001301000000000, 0.0000000000000000, -0.0000504400000000 ] - [ 0.0000600300000000, -0.0000321300000000, 0.0004974600000000 ] - [ 0.0001301400000000, 0.0000008500000000, -0.0000471800000000 ] - [ 0.0005773400000000, 0.0000000000000000, 0.0013300900000000 ] - [ 0.0001349700000000, 0.0000000000000000, 0.0002265700000000 ] - [ 0.0002503200000000, -0.0002737400000000, 0.0004767500000000 ] - [ 0.0001380700000000, -0.0000006500000000, 0.0002274600000000 ] - [ 0.0002503200000000, 0.0002737400000000, 0.0004767500000000 ] - [ 0.0001380700000000, 0.0000006500000000, 0.0002274600000000 ] - [ 0.0001223000000000, -0.0000009900000000, 0.0000916800000000 ] - [ -0.0001489500000000, 0.0001523800000000, 0.0003276400000000 ] - [ 0.0001228500000000, 0.0000000000000000, 0.0000830500000000 ] - [ -0.0000149300000000, 0.0000000000000000, 0.0001727800000000 ] - [ 0.0001223000000000, 0.0000009900000000, 0.0000916800000000 ] - [ -0.0001489500000000, -0.0001523800000000, 0.0003276400000000 ] - [ 0.0020690000000000, 0.0000000000000000, -0.0017426300000000 ] - [ -0.0001054700000000, 0.0000000000000000, 0.0000446800000000 ] - [ -0.0003261800000000, -0.0001746300000000, -0.0002974600000000 ] - [ -0.0000951100000000, 0.0000034300000000, 0.0000529500000000 ] - [ -0.0003261800000000, 0.0001746300000000, -0.0002974600000000 ] - [ -0.0000951100000000, -0.0000034300000000, 0.0000529500000000 ] - [ 0.0009455000000000, -0.0000244200000000, -0.0009836900000000 ] - [ 0.0007302500000000, 0.0000227900000000, -0.0009893500000000 ] - [ 0.0007947300000000, 0.0000000000000000, -0.0009136300000000 ] - [ 0.0007635400000000, 0.0000000000000000, -0.0009496200000000 ] - [ 0.0009455000000000, 0.0000244200000000, -0.0009836900000000 ] - [ 0.0007302500000000, -0.0000227900000000, -0.0009893500000000 ] - [ -0.0005654300000000, 0.0000000000000000, 0.0014545600000000 ] - [ -0.0007665800000000, 0.0000000000000000, 0.0009092300000000 ] - [ -0.0007945100000000, 0.0000207100000000, 0.0009863600000000 ] - [ -0.0007650000000000, 0.0000000200000000, 0.0009098500000000 ] - [ -0.0007945100000000, -0.0000207100000000, 0.0009863600000000 ] - [ -0.0007650000000000, -0.0000000200000000, 0.0009098500000000 ] - [ -0.0002183200000000, 0.0065741200000000, -0.0019261300000000 ] - [ 0.0007750300000000, 0.0000007500000000, 0.0008981500000000 ] - [ 0.0007349900000000, 0.0000000000000000, 0.0007721400000000 ] - [ 0.0007784700000000, 0.0000000000000000, 0.0009022400000000 ] - [ -0.0002183200000000, -0.0065741200000000, -0.0019261300000000 ] - [ 0.0007750300000000, -0.0000007500000000, 0.0008981500000000 ] - [ -0.0008327000000000, 0.0000000000000000, -0.0007952600000000 ] - [ -0.0007368100000000, 0.0000000000000000, -0.0008734900000000 ] - [ -0.0008012900000000, -0.0000015200000000, -0.0008412900000000 ] - [ -0.0007508600000000, 0.0000052000000000, -0.0008823800000000 ] - [ -0.0008012900000000, 0.0000015200000000, -0.0008412900000000 ] - [ -0.0007508600000000, -0.0000052000000000, -0.0008823800000000 ] - [ 0.0001150600000000, 0.0000000000000000, -0.0008451000000000 ] - [ 0.0003977200000000, 0.0000000000000000, -0.0001729200000000 ] - [ 0.0002392300000000, -0.0002141500000000, -0.0005500300000000 ] - [ 0.0003971300000000, -0.0000010500000000, -0.0001715600000000 ] - [ 0.0002392300000000, 0.0002141500000000, -0.0005500300000000 ] - [ 0.0003971300000000, 0.0000010500000000, -0.0001715600000000 ] - [ -0.0000214100000000, -0.0000044200000000, 0.0001582100000000 ] - [ 0.0002200100000000, -0.0000868600000000, 0.0002283200000000 ] - [ 0.0000299100000000, 0.0000000000000000, 0.0001648500000000 ] - [ 0.0000919300000000, 0.0000000000000000, 0.0002278100000000 ] - [ -0.0000214100000000, 0.0000044200000000, 0.0001582100000000 ] - [ 0.0002200100000000, 0.0000868600000000, 0.0002283200000000 ] - [ 0.0009606500000000, 0.0000000000000000, -0.0024103800000000 ] - [ -0.0000707700000000, 0.0000000000000000, -0.0001660800000000 ] - [ 0.0001265900000000, -0.0002201200000000, -0.0002947300000000 ] - [ -0.0000722600000000, -0.0000012600000000, -0.0001676600000000 ] - [ 0.0001265900000000, 0.0002201200000000, -0.0002947300000000 ] - [ -0.0000722600000000, 0.0000012600000000, -0.0001676600000000 ] - [ 0.0012276200000000, 0.0000000000000000, 0.0290834900000000 ] - [ -0.0003198200000000, 0.0000000000000000, -0.0010380400000000 ] - [ -0.0005354400000000, -0.0006222400000000, -0.0013308200000000 ] - [ -0.0003227800000000, 0.0000002400000000, -0.0010387900000000 ] - [ -0.0005354400000000, 0.0006222400000000, -0.0013308200000000 ] - [ -0.0003227800000000, -0.0000002400000000, -0.0010387900000000 ] - [ 0.0004401200000000, 0.0000000000000000, 0.0001420200000000 ] - [ 0.0003526400000000, 0.0000000000000000, -0.0000887700000000 ] - [ 0.0004174800000000, 0.0000023600000000, 0.0001461300000000 ] - [ 0.0003822200000000, 0.0000132300000000, -0.0000132100000000 ] - [ 0.0004174800000000, -0.0000023600000000, 0.0001461300000000 ] - [ 0.0003822200000000, -0.0000132300000000, -0.0000132100000000 ] - [ 0.0029311000000000, 0.0031532600000000, -0.0057311500000000 ] - [ 0.0000505100000000, -0.0000008300000000, -0.0001567900000000 ] - [ 0.0000461200000000, 0.0000000000000000, -0.0000657800000000 ] - [ 0.0000495900000000, 0.0000000000000000, -0.0001580700000000 ] - [ 0.0029311000000000, -0.0031532600000000, -0.0057311500000000 ] - [ 0.0000505100000000, 0.0000008300000000, -0.0001567900000000 ] - [ -0.0008375200000000, -0.0001290700000000, 0.0004907300000000 ] - [ -0.0003862300000000, -0.0000060300000000, 0.0001872600000000 ] - [ -0.0004433400000000, 0.0000000000000000, 0.0002935300000000 ] - [ -0.0004155200000000, 0.0000000000000000, 0.0001889700000000 ] - [ -0.0008375200000000, 0.0001290700000000, 0.0004907300000000 ] - [ -0.0003862300000000, 0.0000060300000000, 0.0001872600000000 ] - [ -0.0002363500000000, 0.0000000000000000, 0.0011842600000000 ] - [ -0.0002511500000000, 0.0000000000000000, 0.0011850700000000 ] - [ -0.0003398800000000, -0.0000456100000000, 0.0011214600000000 ] - [ -0.0003687500000000, 0.0000110600000000, 0.0011237400000000 ] - [ -0.0003398800000000, 0.0000456100000000, 0.0011214600000000 ] - [ -0.0003687500000000, -0.0000110600000000, 0.0011237400000000 ] - [ 0.0002683600000000, -0.0001801500000000, -0.0015159400000000 ] - [ 0.0003125700000000, -0.0000022600000000, -0.0010511500000000 ] - [ 0.0003507500000000, 0.0000000000000000, -0.0012328100000000 ] - [ 0.0003114400000000, 0.0000000000000000, -0.0010494500000000 ] - [ 0.0002683600000000, 0.0001801500000000, -0.0015159400000000 ] - [ 0.0003125700000000, 0.0000022600000000, -0.0010511500000000 ] - [ 0.0003150900000000, 0.0000111800000000, 0.0009426000000000 ] - [ 0.0003350400000000, 0.0000025900000000, 0.0009934600000000 ] - [ 0.0002909300000000, 0.0000000000000000, 0.0009725000000000 ] - [ 0.0003171300000000, 0.0000000000000000, 0.0010110100000000 ] - [ 0.0003150900000000, -0.0000111800000000, 0.0009426000000000 ] - [ 0.0003350400000000, -0.0000025900000000, 0.0009934600000000 ] - [ 0.0001415900000000, 0.0000000000000000, -0.0000184500000000 ] - [ -0.0001129700000000, 0.0000000000000000, 0.0001282100000000 ] - [ 0.0000675000000000, 0.0000579900000000, 0.0000752200000000 ] - [ -0.0000927900000000, 0.0000156800000000, 0.0001349500000000 ] - [ 0.0000675000000000, -0.0000579900000000, 0.0000752200000000 ] - [ -0.0000927900000000, -0.0000156800000000, 0.0001349500000000 ] - [ -0.0042802600000000, 0.0021667100000000, -0.0017688100000000 ] - [ -0.0004068900000000, 0.0000010400000000, -0.0001512900000000 ] - [ -0.0003672800000000, 0.0000000000000000, -0.0000591700000000 ] - [ -0.0004120800000000, 0.0000000000000000, -0.0001529400000000 ] - [ -0.0042802600000000, -0.0021667100000000, -0.0017688100000000 ] - [ -0.0004068900000000, -0.0000010400000000, -0.0001512900000000 ]