# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/54671bab-7da6-4d7a-bc53-3d824b0d8746/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 LuH2ClO2 / Pnma (62) / materials id 976349](https://mdr.nims.go.jp/datasets/145a15f0-939e-4457-b1bc-7484f609a0d6) ## 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:- [ 1, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 12.424599690000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.448747480000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.097694380000000 ] # c points: - symbol: Lu # 1 coordinates: [ 0.551375410000000, 0.250000000000000, 0.749773000000000 ] mass: 174.966800 - symbol: Lu # 2 coordinates: [ 0.051375410000000, 0.250000000000000, 0.750227000000000 ] mass: 174.966800 - symbol: Lu # 3 coordinates: [ 0.948624590000000, 0.750000000000000, 0.249773000000000 ] mass: 174.966800 - symbol: Lu # 4 coordinates: [ 0.448624590000000, 0.750000000000000, 0.250227000000000 ] mass: 174.966800 - symbol: H # 5 coordinates: [ 0.343768990000000, 0.250000000000000, 0.543586610000000 ] mass: 1.007940 - symbol: H # 6 coordinates: [ 0.878052900000000, 0.750000000000000, 0.690718040000000 ] mass: 1.007940 - symbol: H # 7 coordinates: [ 0.378052900000000, 0.750000000000000, 0.809281960000000 ] mass: 1.007940 - symbol: H # 8 coordinates: [ 0.843768990000000, 0.250000000000000, 0.956413390000000 ] mass: 1.007940 - symbol: H # 9 coordinates: [ 0.156231010000000, 0.750000000000000, 0.043586610000000 ] mass: 1.007940 - symbol: H # 10 coordinates: [ 0.621947100000000, 0.250000000000000, 0.190718040000000 ] mass: 1.007940 - symbol: H # 11 coordinates: [ 0.121947100000000, 0.250000000000000, 0.309281960000000 ] mass: 1.007940 - symbol: H # 12 coordinates: [ 0.656231010000000, 0.750000000000000, 0.456413390000000 ] mass: 1.007940 - symbol: Cl # 13 coordinates: [ 0.213864700000000, 0.750000000000000, 0.617563980000000 ] mass: 35.453000 - symbol: Cl # 14 coordinates: [ 0.713864700000000, 0.750000000000000, 0.882436020000000 ] mass: 35.453000 - symbol: Cl # 15 coordinates: [ 0.286135300000000, 0.250000000000000, 0.117563980000000 ] mass: 35.453000 - symbol: Cl # 16 coordinates: [ 0.786135300000000, 0.250000000000000, 0.382436020000000 ] mass: 35.453000 - symbol: O # 17 coordinates: [ 0.580163020000000, 0.750000000000000, 0.502146170000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.951564220000000, 0.750000000000000, 0.629204680000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.451564220000000, 0.750000000000000, 0.870795320000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.080163020000000, 0.750000000000000, 0.997853830000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.919836980000000, 0.250000000000000, 0.002146170000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.548435780000000, 0.250000000000000, 0.129204680000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.048435780000000, 0.250000000000000, 0.370795320000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.419836980000000, 0.250000000000000, 0.497853830000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.080485490474583, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.289960342355944, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.163996412034019 ] # c*unit_cell: lattice: - [ 12.424599690000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.448747480000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.097694380000000 ] # c points: - symbol: Lu # 1 coordinates: [ 0.551375410000000, 0.250000000000000, 0.749773000000000 ] mass: 174.966800 reduced_to: 1 - symbol: Lu # 2 coordinates: [ 0.051375410000000, 0.250000000000000, 0.750227000000000 ] mass: 174.966800 reduced_to: 2 - symbol: Lu # 3 coordinates: [ 0.948624590000000, 0.750000000000000, 0.249773000000000 ] mass: 174.966800 reduced_to: 3 - symbol: Lu # 4 coordinates: [ 0.448624590000000, 0.750000000000000, 0.250227000000000 ] mass: 174.966800 reduced_to: 4 - symbol: H # 5 coordinates: [ 0.343768990000000, 0.250000000000000, 0.543586610000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 6 coordinates: [ 0.878052900000000, 0.750000000000000, 0.690718040000000 ] mass: 1.007940 reduced_to: 6 - symbol: H # 7 coordinates: [ 0.378052900000000, 0.750000000000000, 0.809281960000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 8 coordinates: [ 0.843768990000000, 0.250000000000000, 0.956413390000000 ] mass: 1.007940 reduced_to: 8 - symbol: H # 9 coordinates: [ 0.156231010000000, 0.750000000000000, 0.043586610000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.621947100000000, 0.250000000000000, 0.190718040000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.121947100000000, 0.250000000000000, 0.309281960000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.656231010000000, 0.750000000000000, 0.456413390000000 ] mass: 1.007940 reduced_to: 12 - symbol: Cl # 13 coordinates: [ 0.213864700000000, 0.750000000000000, 0.617563980000000 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 14 coordinates: [ 0.713864700000000, 0.750000000000000, 0.882436020000000 ] mass: 35.453000 reduced_to: 14 - symbol: Cl # 15 coordinates: [ 0.286135300000000, 0.250000000000000, 0.117563980000000 ] mass: 35.453000 reduced_to: 15 - symbol: Cl # 16 coordinates: [ 0.786135300000000, 0.250000000000000, 0.382436020000000 ] mass: 35.453000 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.580163020000000, 0.750000000000000, 0.502146170000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.951564220000000, 0.750000000000000, 0.629204680000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.451564220000000, 0.750000000000000, 0.870795320000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.080163020000000, 0.750000000000000, 0.997853830000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.919836980000000, 0.250000000000000, 0.002146170000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.548435780000000, 0.250000000000000, 0.129204680000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.048435780000000, 0.250000000000000, 0.370795320000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.419836980000000, 0.250000000000000, 0.497853830000000 ] mass: 15.999400 reduced_to: 24supercell: lattice: - [ 12.424599690000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.346242440000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.195388760000000 ] # c points: - symbol: Lu # 1 coordinates: [ 0.551375410000000, 0.083333333333333, 0.374886500000000 ] mass: 174.966800 reduced_to: 1 - symbol: Lu # 2 coordinates: [ 0.551375410000000, 0.416666666666667, 0.374886500000000 ] mass: 174.966800 reduced_to: 1 - symbol: Lu # 3 coordinates: [ 0.551375410000000, 0.750000000000000, 0.374886500000000 ] mass: 174.966800 reduced_to: 1 - symbol: Lu # 4 coordinates: [ 0.551375410000000, 0.083333333333333, 0.874886500000000 ] mass: 174.966800 reduced_to: 1 - symbol: Lu # 5 coordinates: [ 0.551375410000000, 0.416666666666667, 0.874886500000000 ] mass: 174.966800 reduced_to: 1 - symbol: Lu # 6 coordinates: [ 0.551375410000000, 0.750000000000000, 0.874886500000000 ] mass: 174.966800 reduced_to: 1 - symbol: Lu # 7 coordinates: [ 0.051375410000000, 0.083333333333333, 0.375113500000000 ] mass: 174.966800 reduced_to: 7 - symbol: Lu # 8 coordinates: [ 0.051375410000000, 0.416666666666667, 0.375113500000000 ] mass: 174.966800 reduced_to: 7 - symbol: Lu # 9 coordinates: [ 0.051375410000000, 0.750000000000000, 0.375113500000000 ] mass: 174.966800 reduced_to: 7 - symbol: Lu # 10 coordinates: [ 0.051375410000000, 0.083333333333333, 0.875113500000000 ] mass: 174.966800 reduced_to: 7 - symbol: Lu # 11 coordinates: [ 0.051375410000000, 0.416666666666667, 0.875113500000000 ] mass: 174.966800 reduced_to: 7 - symbol: Lu # 12 coordinates: [ 0.051375410000000, 0.750000000000000, 0.875113500000000 ] mass: 174.966800 reduced_to: 7 - symbol: Lu # 13 coordinates: [ 0.948624590000000, 0.250000000000000, 0.124886500000000 ] mass: 174.966800 reduced_to: 13 - symbol: Lu # 14 coordinates: [ 0.948624590000000, 0.583333333333333, 0.124886500000000 ] mass: 174.966800 reduced_to: 13 - symbol: Lu # 15 coordinates: [ 0.948624590000000, 0.916666666666667, 0.124886500000000 ] mass: 174.966800 reduced_to: 13 - symbol: Lu # 16 coordinates: [ 0.948624590000000, 0.250000000000000, 0.624886500000000 ] mass: 174.966800 reduced_to: 13 - symbol: Lu # 17 coordinates: [ 0.948624590000000, 0.583333333333333, 0.624886500000000 ] mass: 174.966800 reduced_to: 13 - symbol: Lu # 18 coordinates: [ 0.948624590000000, 0.916666666666667, 0.624886500000000 ] mass: 174.966800 reduced_to: 13 - symbol: Lu # 19 coordinates: [ 0.448624590000000, 0.250000000000000, 0.125113500000000 ] mass: 174.966800 reduced_to: 19 - symbol: Lu # 20 coordinates: [ 0.448624590000000, 0.583333333333333, 0.125113500000000 ] mass: 174.966800 reduced_to: 19 - symbol: Lu # 21 coordinates: [ 0.448624590000000, 0.916666666666667, 0.125113500000000 ] mass: 174.966800 reduced_to: 19 - symbol: Lu # 22 coordinates: [ 0.448624590000000, 0.250000000000000, 0.625113500000000 ] mass: 174.966800 reduced_to: 19 - symbol: Lu # 23 coordinates: [ 0.448624590000000, 0.583333333333333, 0.625113500000000 ] mass: 174.966800 reduced_to: 19 - symbol: Lu # 24 coordinates: [ 0.448624590000000, 0.916666666666667, 0.625113500000000 ] mass: 174.966800 reduced_to: 19 - symbol: H # 25 coordinates: [ 0.343768990000000, 0.083333333333333, 0.271793305000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.343768990000000, 0.416666666666667, 0.271793305000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 27 coordinates: [ 0.343768990000000, 0.750000000000000, 0.271793305000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 28 coordinates: [ 0.343768990000000, 0.083333333333333, 0.771793305000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 29 coordinates: [ 0.343768990000000, 0.416666666666667, 0.771793305000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 30 coordinates: [ 0.343768990000000, 0.750000000000000, 0.771793305000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 31 coordinates: [ 0.878052900000000, 0.250000000000000, 0.345359020000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 32 coordinates: [ 0.878052900000000, 0.583333333333333, 0.345359020000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 33 coordinates: [ 0.878052900000000, 0.916666666666667, 0.345359020000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 34 coordinates: [ 0.878052900000000, 0.250000000000000, 0.845359020000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 35 coordinates: [ 0.878052900000000, 0.583333333333333, 0.845359020000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 36 coordinates: [ 0.878052900000000, 0.916666666666667, 0.845359020000000 ] mass: 1.007940 reduced_to: 31 - symbol: H # 37 coordinates: [ 0.378052900000000, 0.250000000000000, 0.404640980000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.378052900000000, 0.583333333333333, 0.404640980000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 39 coordinates: [ 0.378052900000000, 0.916666666666667, 0.404640980000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 40 coordinates: [ 0.378052900000000, 0.250000000000000, 0.904640980000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 41 coordinates: [ 0.378052900000000, 0.583333333333333, 0.904640980000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 42 coordinates: [ 0.378052900000000, 0.916666666666667, 0.904640980000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 43 coordinates: [ 0.843768990000000, 0.083333333333333, 0.478206695000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 44 coordinates: [ 0.843768990000000, 0.416666666666667, 0.478206695000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 45 coordinates: [ 0.843768990000000, 0.750000000000000, 0.478206695000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 46 coordinates: [ 0.843768990000000, 0.083333333333333, 0.978206695000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 47 coordinates: [ 0.843768990000000, 0.416666666666667, 0.978206695000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 48 coordinates: [ 0.843768990000000, 0.750000000000000, 0.978206695000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 49 coordinates: [ 0.156231010000000, 0.250000000000000, 0.021793305000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 50 coordinates: [ 0.156231010000000, 0.583333333333333, 0.021793305000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 51 coordinates: [ 0.156231010000000, 0.916666666666667, 0.021793305000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 52 coordinates: [ 0.156231010000000, 0.250000000000000, 0.521793305000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 53 coordinates: [ 0.156231010000000, 0.583333333333333, 0.521793305000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 54 coordinates: [ 0.156231010000000, 0.916666666666667, 0.521793305000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 55 coordinates: [ 0.621947100000000, 0.083333333333333, 0.095359020000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 56 coordinates: [ 0.621947100000000, 0.416666666666667, 0.095359020000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 57 coordinates: [ 0.621947100000000, 0.750000000000000, 0.095359020000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 58 coordinates: [ 0.621947100000000, 0.083333333333333, 0.595359020000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 59 coordinates: [ 0.621947100000000, 0.416666666666667, 0.595359020000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 60 coordinates: [ 0.621947100000000, 0.750000000000000, 0.595359020000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 61 coordinates: [ 0.121947100000000, 0.083333333333333, 0.154640980000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 62 coordinates: [ 0.121947100000000, 0.416666666666667, 0.154640980000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 63 coordinates: [ 0.121947100000000, 0.750000000000000, 0.154640980000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 64 coordinates: [ 0.121947100000000, 0.083333333333333, 0.654640980000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 65 coordinates: [ 0.121947100000000, 0.416666666666667, 0.654640980000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 66 coordinates: [ 0.121947100000000, 0.750000000000000, 0.654640980000000 ] mass: 1.007940 reduced_to: 61 - symbol: H # 67 coordinates: [ 0.656231010000000, 0.250000000000000, 0.228206695000000 ] mass: 1.007940 reduced_to: 67 - symbol: H # 68 coordinates: [ 0.656231010000000, 0.583333333333333, 0.228206695000000 ] mass: 1.007940 reduced_to: 67 - symbol: H # 69 coordinates: [ 0.656231010000000, 0.916666666666667, 0.228206695000000 ] mass: 1.007940 reduced_to: 67 - symbol: H # 70 coordinates: [ 0.656231010000000, 0.250000000000000, 0.728206695000000 ] mass: 1.007940 reduced_to: 67 - symbol: H # 71 coordinates: [ 0.656231010000000, 0.583333333333333, 0.728206695000000 ] mass: 1.007940 reduced_to: 67 - symbol: H # 72 coordinates: [ 0.656231010000000, 0.916666666666667, 0.728206695000000 ] mass: 1.007940 reduced_to: 67 - symbol: Cl # 73 coordinates: [ 0.213864700000000, 0.250000000000000, 0.308781990000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 74 coordinates: [ 0.213864700000000, 0.583333333333333, 0.308781990000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 75 coordinates: [ 0.213864700000000, 0.916666666666667, 0.308781990000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 76 coordinates: [ 0.213864700000000, 0.250000000000000, 0.808781990000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 77 coordinates: [ 0.213864700000000, 0.583333333333333, 0.808781990000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 78 coordinates: [ 0.213864700000000, 0.916666666666667, 0.808781990000000 ] mass: 35.453000 reduced_to: 73 - symbol: Cl # 79 coordinates: [ 0.713864700000000, 0.250000000000000, 0.441218010000000 ] mass: 35.453000 reduced_to: 79 - symbol: Cl # 80 coordinates: [ 0.713864700000000, 0.583333333333333, 0.441218010000000 ] mass: 35.453000 reduced_to: 79 - symbol: Cl # 81 coordinates: [ 0.713864700000000, 0.916666666666667, 0.441218010000000 ] mass: 35.453000 reduced_to: 79 - symbol: Cl # 82 coordinates: [ 0.713864700000000, 0.250000000000000, 0.941218010000000 ] mass: 35.453000 reduced_to: 79 - symbol: Cl # 83 coordinates: [ 0.713864700000000, 0.583333333333333, 0.941218010000000 ] mass: 35.453000 reduced_to: 79 - symbol: Cl # 84 coordinates: [ 0.713864700000000, 0.916666666666667, 0.941218010000000 ] mass: 35.453000 reduced_to: 79 - symbol: Cl # 85 coordinates: [ 0.286135300000000, 0.083333333333333, 0.058781990000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 86 coordinates: [ 0.286135300000000, 0.416666666666667, 0.058781990000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 87 coordinates: [ 0.286135300000000, 0.750000000000000, 0.058781990000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 88 coordinates: [ 0.286135300000000, 0.083333333333333, 0.558781990000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 89 coordinates: [ 0.286135300000000, 0.416666666666667, 0.558781990000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 90 coordinates: [ 0.286135300000000, 0.750000000000000, 0.558781990000000 ] mass: 35.453000 reduced_to: 85 - symbol: Cl # 91 coordinates: [ 0.786135300000000, 0.083333333333333, 0.191218010000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 92 coordinates: [ 0.786135300000000, 0.416666666666667, 0.191218010000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 93 coordinates: [ 0.786135300000000, 0.750000000000000, 0.191218010000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 94 coordinates: [ 0.786135300000000, 0.083333333333333, 0.691218010000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 95 coordinates: [ 0.786135300000000, 0.416666666666667, 0.691218010000000 ] mass: 35.453000 reduced_to: 91 - symbol: Cl # 96 coordinates: [ 0.786135300000000, 0.750000000000000, 0.691218010000000 ] mass: 35.453000 reduced_to: 91 - symbol: O # 97 coordinates: [ 0.580163020000000, 0.250000000000000, 0.251073085000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.580163020000000, 0.583333333333333, 0.251073085000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.580163020000000, 0.916666666666667, 0.251073085000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.580163020000000, 0.250000000000000, 0.751073085000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.580163020000000, 0.583333333333333, 0.751073085000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 102 coordinates: [ 0.580163020000000, 0.916666666666667, 0.751073085000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 103 coordinates: [ 0.951564220000000, 0.250000000000000, 0.314602340000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.951564220000000, 0.583333333333333, 0.314602340000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.951564220000000, 0.916666666666667, 0.314602340000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 106 coordinates: [ 0.951564220000000, 0.250000000000000, 0.814602340000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 107 coordinates: [ 0.951564220000000, 0.583333333333333, 0.814602340000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 108 coordinates: [ 0.951564220000000, 0.916666666666667, 0.814602340000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 109 coordinates: [ 0.451564220000000, 0.250000000000000, 0.435397660000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.451564220000000, 0.583333333333333, 0.435397660000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.451564220000000, 0.916666666666667, 0.435397660000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.451564220000000, 0.250000000000000, 0.935397660000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.451564220000000, 0.583333333333333, 0.935397660000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 114 coordinates: [ 0.451564220000000, 0.916666666666667, 0.935397660000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 115 coordinates: [ 0.080163020000000, 0.250000000000000, 0.498926915000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.080163020000000, 0.583333333333333, 0.498926915000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 117 coordinates: [ 0.080163020000000, 0.916666666666667, 0.498926915000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 118 coordinates: [ 0.080163020000000, 0.250000000000000, 0.998926915000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 119 coordinates: [ 0.080163020000000, 0.583333333333333, 0.998926915000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 120 coordinates: [ 0.080163020000000, 0.916666666666667, 0.998926915000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 121 coordinates: [ 0.919836980000000, 0.083333333333333, 0.001073085000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.919836980000000, 0.416666666666667, 0.001073085000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.919836980000000, 0.750000000000000, 0.001073085000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 124 coordinates: [ 0.919836980000000, 0.083333333333333, 0.501073085000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 125 coordinates: [ 0.919836980000000, 0.416666666666667, 0.501073085000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 126 coordinates: [ 0.919836980000000, 0.750000000000000, 0.501073085000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 127 coordinates: [ 0.548435780000000, 0.083333333333333, 0.064602340000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.548435780000000, 0.416666666666667, 0.064602340000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 129 coordinates: [ 0.548435780000000, 0.750000000000000, 0.064602340000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 130 coordinates: [ 0.548435780000000, 0.083333333333333, 0.564602340000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 131 coordinates: [ 0.548435780000000, 0.416666666666667, 0.564602340000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 132 coordinates: [ 0.548435780000000, 0.750000000000000, 0.564602340000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 133 coordinates: [ 0.048435780000000, 0.083333333333333, 0.185397660000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.048435780000000, 0.416666666666667, 0.185397660000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 135 coordinates: [ 0.048435780000000, 0.750000000000000, 0.185397660000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 136 coordinates: [ 0.048435780000000, 0.083333333333333, 0.685397660000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 137 coordinates: [ 0.048435780000000, 0.416666666666667, 0.685397660000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 138 coordinates: [ 0.048435780000000, 0.750000000000000, 0.685397660000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 139 coordinates: [ 0.419836980000000, 0.083333333333333, 0.248926915000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 140 coordinates: [ 0.419836980000000, 0.416666666666667, 0.248926915000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 141 coordinates: [ 0.419836980000000, 0.750000000000000, 0.248926915000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 142 coordinates: [ 0.419836980000000, 0.083333333333333, 0.748926915000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 143 coordinates: [ 0.419836980000000, 0.416666666666667, 0.748926915000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 144 coordinates: [ 0.419836980000000, 0.750000000000000, 0.748926915000000 ] mass: 15.999400 reduced_to: 139born_effective_charge:- # 1 (Lu) - [ 3.454874280000000, 0.000000000000000, 0.140102570000000 ] - [ 0.000000000000000, 3.962277090000000, 0.000000000000000 ] - [ 0.015451380000000, 0.000000000000000, 3.589665390000000 ]- # 2 (Lu) - [ 3.454874280000000, 0.000000000000000, -0.140102570000000 ] - [ 0.000000000000000, 3.962277090000000, 0.000000000000000 ] - [ -0.015451380000000, 0.000000000000000, 3.589665390000000 ]- # 3 (Lu) - [ 3.454874280000000, 0.000000000000000, -0.140102570000000 ] - [ 0.000000000000000, 3.962277090000000, 0.000000000000000 ] - [ -0.015451380000000, 0.000000000000000, 3.589665390000000 ]- # 4 (Lu) - [ 3.454874280000000, 0.000000000000000, 0.140102570000000 ] - [ 0.000000000000000, 3.962277090000000, 0.000000000000000 ] - [ 0.015451380000000, 0.000000000000000, 3.589665390000000 ]- # 5 (H) - [ 0.670151880000000, 0.000000000000000, -0.087953770000000 ] - [ 0.000000000000000, 0.606214360000000, 0.000000000000000 ] - [ -0.127486600000000, 0.000000000000000, 0.388359300000000 ]- # 6 (H) - [ 0.815035510000000, 0.000000000000000, -0.204302990000000 ] - [ 0.000000000000000, 0.389140740000000, 0.000000000000000 ] - [ -0.127535320000000, 0.000000000000000, 0.522565110000000 ]- # 7 (H) - [ 0.815035510000000, 0.000000000000000, 0.204302990000000 ] - [ 0.000000000000000, 0.389140740000000, 0.000000000000000 ] - [ 0.127535320000000, 0.000000000000000, 0.522565110000000 ]- # 8 (H) - [ 0.670151880000000, 0.000000000000000, 0.087953770000000 ] - [ 0.000000000000000, 0.606214360000000, 0.000000000000000 ] - [ 0.127486600000000, 0.000000000000000, 0.388359300000000 ]- # 9 (H) - [ 0.670151880000000, 0.000000000000000, 0.087953770000000 ] - [ 0.000000000000000, 0.606214360000000, 0.000000000000000 ] - [ 0.127486600000000, 0.000000000000000, 0.388359300000000 ]- # 10 (H) - [ 0.815035510000000, 0.000000000000000, 0.204302990000000 ] - [ 0.000000000000000, 0.389140740000000, 0.000000000000000 ] - [ 0.127535320000000, 0.000000000000000, 0.522565110000000 ]- # 11 (H) - [ 0.815035510000000, 0.000000000000000, -0.204302990000000 ] - [ 0.000000000000000, 0.389140740000000, 0.000000000000000 ] - [ -0.127535320000000, 0.000000000000000, 0.522565110000000 ]- # 12 (H) - [ 0.670151880000000, 0.000000000000000, -0.087953770000000 ] - [ 0.000000000000000, 0.606214360000000, 0.000000000000000 ] - [ -0.127486600000000, 0.000000000000000, 0.388359300000000 ]- # 13 (Cl) - [ -1.555378890000000, 0.000000000000000, 0.176590580000000 ] - [ 0.000000000000000, -1.378577310000000, 0.000000000000000 ] - [ 0.181480840000000, 0.000000000000000, -0.872786070000000 ]- # 14 (Cl) - [ -1.555378890000000, 0.000000000000000, -0.176590580000000 ] - [ 0.000000000000000, -1.378577310000000, 0.000000000000000 ] - [ -0.181480840000000, 0.000000000000000, -0.872786070000000 ]- # 15 (Cl) - [ -1.555378890000000, 0.000000000000000, -0.176590580000000 ] - [ 0.000000000000000, -1.378577310000000, 0.000000000000000 ] - [ -0.181480840000000, 0.000000000000000, -0.872786070000000 ]- # 16 (Cl) - [ -1.555378890000000, 0.000000000000000, 0.176590580000000 ] - [ 0.000000000000000, -1.378577310000000, 0.000000000000000 ] - [ 0.181480840000000, 0.000000000000000, -0.872786070000000 ]- # 17 (O) - [ -1.695823910000000, 0.000000000000000, -0.246831570000000 ] - [ 0.000000000000000, -1.686633030000000, 0.000000000000000 ] - [ -0.176926750000000, 0.000000000000000, -1.883819300000000 ]- # 18 (O) - [ -1.688858870000000, 0.000000000000000, -0.208887040000000 ] - [ 0.000000000000000, -1.892421860000000, 0.000000000000000 ] - [ -0.296889300000000, 0.000000000000000, -1.743984420000000 ]- # 19 (O) - [ -1.688858870000000, 0.000000000000000, 0.208887040000000 ] - [ 0.000000000000000, -1.892421860000000, 0.000000000000000 ] - [ 0.296889300000000, 0.000000000000000, -1.743984420000000 ]- # 20 (O) - [ -1.695823910000000, 0.000000000000000, 0.246831570000000 ] - [ 0.000000000000000, -1.686633030000000, 0.000000000000000 ] - [ 0.176926750000000, 0.000000000000000, -1.883819300000000 ]- # 21 (O) - [ -1.695823910000000, 0.000000000000000, 0.246831570000000 ] - [ 0.000000000000000, -1.686633030000000, 0.000000000000000 ] - [ 0.176926750000000, 0.000000000000000, -1.883819300000000 ]- # 22 (O) - [ -1.688858870000000, 0.000000000000000, 0.208887040000000 ] - [ 0.000000000000000, -1.892421860000000, 0.000000000000000 ] - [ 0.296889300000000, 0.000000000000000, -1.743984420000000 ]- # 23 (O) - [ -1.688858870000000, 0.000000000000000, -0.208887040000000 ] - [ 0.000000000000000, -1.892421860000000, 0.000000000000000 ] - [ -0.296889300000000, 0.000000000000000, -1.743984420000000 ]- # 24 (O) - [ -1.695823910000000, 0.000000000000000, -0.246831570000000 ] - [ 0.000000000000000, -1.686633030000000, 0.000000000000000 ] - [ -0.176926750000000, 0.000000000000000, -1.883819300000000 ]dielectric_constant: - [ 3.684068250000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.697069160000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.452960670000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1208807400000000, 0.0000000000000000, -0.0113513600000000 ] - [ -0.0152750900000000, -0.0021928000000000, 0.0021247600000000 ] - [ -0.0152750900000000, 0.0021928000000000, 0.0021247600000000 ] - [ -0.0022858000000000, 0.0000000000000000, 0.0002446600000000 ] - [ -0.0017153800000000, -0.0002122300000000, 0.0002402800000000 ] - [ -0.0017153800000000, 0.0002122300000000, 0.0002402800000000 ] - [ 0.0076026800000000, 0.0000000000000000, -0.0009483500000000 ] - [ 0.0050510100000000, -0.0005021800000000, -0.0009734200000000 ] - [ 0.0050510100000000, 0.0005021800000000, -0.0009734200000000 ] - [ 0.0028364000000000, 0.0000000000000000, -0.0004686300000000 ] - [ 0.0019782400000000, -0.0001058100000000, -0.0001915500000000 ] - [ 0.0019782400000000, 0.0001058100000000, -0.0001915500000000 ] - [ 0.0040366300000000, 0.0020048000000000, -0.0013137700000000 ] - [ 0.0019881900000000, 0.0000000000000000, -0.0003913200000000 ] - [ 0.0040366300000000, -0.0020048000000000, -0.0013137700000000 ] - [ 0.0040141100000000, 0.0004134200000000, 0.0024482600000000 ] - [ 0.0019874100000000, 0.0000000000000000, 0.0012548800000000 ] - [ 0.0040141100000000, -0.0004134200000000, 0.0024482600000000 ] - [ -0.0075664700000000, -0.0091340700000000, 0.0077500300000000 ] - [ -0.0018890700000000, 0.0000000000000000, 0.0007357000000000 ] - [ -0.0075664700000000, 0.0091340700000000, 0.0077500300000000 ] - [ -0.0047838500000000, -0.0020906600000000, -0.0099356300000000 ] - [ -0.0023426600000000, 0.0000000000000000, -0.0008220100000000 ] - [ -0.0047838500000000, 0.0020906600000000, -0.0099356300000000 ] - [ 0.0090625800000000, 0.0000000000000000, 0.0054561500000000 ] - [ 0.0007311500000000, -0.0010567700000000, 0.0001667400000000 ] - [ 0.0007311500000000, 0.0010567700000000, 0.0001667400000000 ] - [ 0.0004338500000000, 0.0000000000000000, -0.0008690200000000 ] - [ 0.0003749200000000, -0.0000475800000000, -0.0004917800000000 ] - [ 0.0003749200000000, 0.0000475800000000, -0.0004917800000000 ] - [ 0.0027750600000000, 0.0004219200000000, -0.0009877400000000 ] - [ 0.0002146400000000, 0.0000000000000000, 0.0001403700000000 ] - [ 0.0027750600000000, -0.0004219200000000, -0.0009877400000000 ] - [ -0.0000897600000000, 0.0001040000000000, 0.0003977900000000 ] - [ -0.0001016200000000, 0.0000000000000000, 0.0004518400000000 ] - [ -0.0000897600000000, -0.0001040000000000, 0.0003977900000000 ] - [ 0.0073142500000000, -0.0083795700000000, -0.0022742100000000 ] - [ -0.0000902300000000, 0.0000000000000000, -0.0002345000000000 ] - [ 0.0073142500000000, 0.0083795700000000, -0.0022742100000000 ] - [ -0.0001242200000000, -0.0001656300000000, -0.0002469100000000 ] - [ -0.0001329700000000, 0.0000000000000000, -0.0002429800000000 ] - [ -0.0001242200000000, 0.0001656300000000, -0.0002469100000000 ] - [ 0.0031483500000000, 0.0000000000000000, 0.0015945900000000 ] - [ 0.0023565700000000, 0.0021925300000000, 0.0009715900000000 ] - [ 0.0023565700000000, -0.0021925300000000, 0.0009715900000000 ] - [ 0.0001591900000000, 0.0000000000000000, -0.0004089100000000 ] - [ 0.0002674700000000, 0.0000398100000000, 0.0001766000000000 ] - [ 0.0002674700000000, -0.0000398100000000, 0.0001766000000000 ] - [ 0.0002321000000000, -0.0003216700000000, -0.0001873100000000 ] - [ 0.0000319700000000, 0.0000000000000000, -0.0002846700000000 ] - [ 0.0002321000000000, 0.0003216700000000, -0.0001873100000000 ] - [ 0.0006097000000000, -0.0005343800000000, -0.0004255700000000 ] - [ 0.0002990700000000, 0.0000000000000000, -0.0001943300000000 ] - [ 0.0006097000000000, 0.0005343800000000, -0.0004255700000000 ] - [ -0.0013317700000000, 0.0000000000000000, -0.0014302700000000 ] - [ -0.0003276000000000, 0.0004263900000000, -0.0002596600000000 ] - [ -0.0003276000000000, -0.0004263900000000, -0.0002596600000000 ] - [ -0.0012374800000000, 0.0000000000000000, 0.0069140500000000 ] - [ -0.0008483700000000, 0.0010439200000000, 0.0014532900000000 ] - [ -0.0008483700000000, -0.0010439200000000, 0.0014532900000000 ] - [ 0.0011089000000000, 0.0000000000000000, -0.0002082900000000 ] - [ 0.0006457100000000, -0.0002313000000000, -0.0001045800000000 ] - [ 0.0006457100000000, 0.0002313000000000, -0.0001045800000000 ] - [ 0.0018324700000000, 0.0000000000000000, -0.0010328600000000 ] - [ 0.0008977900000000, -0.0000421700000000, -0.0005643800000000 ] - [ 0.0008977900000000, 0.0000421700000000, -0.0005643800000000 ] - [ 0.0007638700000000, 0.0053301500000000, -0.0045362900000000 ] - [ -0.0009170900000000, 0.0000000000000000, 0.0002558200000000 ] - [ 0.0007638700000000, -0.0053301500000000, -0.0045362900000000 ] - [ -0.0008414800000000, 0.0000748000000000, 0.0008398900000000 ] - [ -0.0007822600000000, 0.0000000000000000, 0.0004549500000000 ] - [ -0.0008414800000000, -0.0000748000000000, 0.0008398900000000 ] - [ -0.0039437400000000, 0.0012279300000000, 0.0001319200000000 ] - [ -0.0008466300000000, 0.0000000000000000, -0.0000418500000000 ] - [ -0.0039437400000000, -0.0012279300000000, 0.0001319200000000 ] - [ -0.0007237700000000, 0.0002182900000000, 0.0000777600000000 ] - [ -0.0005256700000000, 0.0000000000000000, 0.0000094700000000 ] - [ -0.0007237700000000, -0.0002182900000000, 0.0000777600000000 ] - [ 0.0079915800000000, 0.0015220400000000, 0.0031398800000000 ] - [ 0.0018143900000000, 0.0000000000000000, 0.0007188400000000 ] - [ 0.0079915800000000, -0.0015220400000000, 0.0031398800000000 ] - [ 0.0008907900000000, -0.0001272400000000, 0.0004568800000000 ] - [ 0.0006738900000000, 0.0000000000000000, 0.0002270000000000 ] - [ 0.0008907900000000, 0.0001272400000000, 0.0004568800000000 ] - [ -0.0017652500000000, 0.0000000000000000, -0.0019333600000000 ] - [ -0.0004161700000000, 0.0003487200000000, -0.0004285000000000 ] - [ -0.0004161700000000, -0.0003487200000000, -0.0004285000000000 ] - [ -0.0020312400000000, 0.0000000000000000, 0.0017289700000000 ] - [ -0.0007434600000000, 0.0008984300000000, 0.0004160800000000 ] - [ -0.0007434600000000, -0.0008984300000000, 0.0004160800000000 ] - [ -0.0039813100000000, 0.0000000000000000, 0.0032104200000000 ] - [ -0.0004377400000000, -0.0007580800000000, 0.0009424300000000 ] - [ -0.0004377400000000, 0.0007580800000000, 0.0009424300000000 ] - [ -0.0001387800000000, 0.0000000000000000, -0.0008758100000000 ] - [ -0.0001255400000000, -0.0004694300000000, -0.0005966100000000 ] - [ -0.0001255400000000, 0.0004694300000000, -0.0005966100000000 ] - [ 0.0132049600000000, -0.0030100100000000, 0.0041806900000000 ] - [ 0.0019213700000000, 0.0000000000000000, -0.0003702800000000 ] - [ 0.0132049600000000, 0.0030100100000000, 0.0041806900000000 ] - [ 0.0022422400000000, 0.0000422300000000, 0.0003247500000000 ] - [ 0.0013925700000000, 0.0000000000000000, 0.0001727300000000 ] - [ 0.0022422400000000, -0.0000422300000000, 0.0003247500000000 ] - [ -0.0030784700000000, -0.0005034200000000, 0.0002218100000000 ] - [ -0.0006763800000000, 0.0000000000000000, -0.0002742700000000 ] - [ -0.0030784700000000, 0.0005034200000000, 0.0002218100000000 ] - [ -0.0001787800000000, -0.0001048100000000, -0.0005806000000000 ] - [ -0.0000756500000000, 0.0000000000000000, -0.0006572000000000 ] - [ -0.0001787800000000, 0.0001048100000000, -0.0005806000000000 ] - [ 0.0235621000000000, -0.0061771100000000, 0.0001861800000000 ] - [ 0.0022152900000000, 0.0000000000000000, -0.0000697600000000 ] - [ 0.0235621000000000, 0.0061771100000000, 0.0001861800000000 ] - [ 0.0012756500000000, 0.0001989600000000, -0.0006273400000000 ] - [ 0.0011335300000000, 0.0000000000000000, 0.0000133300000000 ] - [ 0.0012756500000000, -0.0001989600000000, -0.0006273400000000 ] - [ -0.0021260800000000, 0.0002489800000000, 0.0004374400000000 ] - [ -0.0012807500000000, 0.0000000000000000, 0.0000342000000000 ] - [ -0.0021260800000000, -0.0002489800000000, 0.0004374400000000 ] - [ -0.0010295300000000, 0.0002239600000000, 0.0002534600000000 ] - [ -0.0004959700000000, 0.0000000000000000, 0.0001154800000000 ] - [ -0.0010295300000000, -0.0002239600000000, 0.0002534600000000 ] - [ -0.0021737500000000, 0.0000000000000000, 0.0021283400000000 ] - [ -0.0010126900000000, -0.0001879000000000, 0.0006081400000000 ] - [ -0.0010126900000000, 0.0001879000000000, 0.0006081400000000 ] - [ -0.0043036200000000, 0.0000000000000000, -0.0010108000000000 ] - [ -0.0033922300000000, -0.0015190700000000, -0.0005439300000000 ] - [ -0.0033922300000000, 0.0015190700000000, -0.0005439300000000 ] - [ 0.0030224600000000, 0.0000000000000000, -0.0012060500000000 ] - [ 0.0014995800000000, 0.0003986100000000, 0.0000075200000000 ] - [ 0.0014995800000000, -0.0003986100000000, 0.0000075200000000 ] - [ 0.0140990200000000, 0.0000000000000000, -0.0052448500000000 ] - [ 0.0036091100000000, 0.0003766000000000, -0.0005439300000000 ] - [ 0.0036091100000000, -0.0003766000000000, -0.0005439300000000 ] - [ -0.0032084300000000, 0.0000000000000000, -0.0000477700000000 ] - [ -0.0022518300000000, -0.0000002300000000, -0.0002168200000000 ] - [ -0.0022518300000000, 0.0000002300000000, -0.0002168200000000 ] - [ -0.0026839600000000, 0.0000000000000000, 0.0001711000000000 ] - [ -0.0019665800000000, -0.0000236200000000, -0.0000247900000000 ] - [ -0.0019665800000000, 0.0000236200000000, -0.0000247900000000 ] - [ 0.0288243900000000, 0.0000000000000000, 0.0016100300000000 ] - [ 0.0013754700000000, 0.0024852300000000, -0.0014130600000000 ] - [ 0.0013754700000000, -0.0024852300000000, -0.0014130600000000 ] - [ 0.0008225600000000, 0.0000000000000000, 0.0009975000000000 ] - [ 0.0000757400000000, 0.0006506100000000, 0.0005037600000000 ] - [ 0.0000757400000000, -0.0006506100000000, 0.0005037600000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1225557200000000, 0.0000000000000000, 0.0120341200000000 ] - [ 0.0156553500000000, 0.0020819900000000, -0.0017140300000000 ] - [ 0.0156553500000000, -0.0020819900000000, -0.0017140300000000 ] - [ 0.0026943600000000, 0.0000000000000000, 0.0001511900000000 ] - [ 0.0021141800000000, 0.0002260000000000, 0.0002021500000000 ] - [ 0.0021141800000000, -0.0002260000000000, 0.0002021500000000 ] - [ -0.0071798900000000, 0.0000000000000000, 0.0005006200000000 ] - [ -0.0046397200000000, 0.0005247600000000, 0.0005776800000000 ] - [ -0.0046397200000000, -0.0005247600000000, 0.0005776800000000 ] - [ -0.0024153200000000, 0.0000000000000000, -0.0000001900000000 ] - [ -0.0015776000000000, 0.0001220400000000, -0.0002616800000000 ] - [ -0.0015776000000000, -0.0001220400000000, -0.0002616800000000 ] - [ -0.0044357000000000, -0.0019917700000000, 0.0017588900000000 ] - [ -0.0023958000000000, 0.0000000000000000, 0.0008088300000000 ] - [ -0.0044357000000000, 0.0019917700000000, 0.0017588900000000 ] - [ -0.0044535800000000, -0.0003901500000000, -0.0019958800000000 ] - [ -0.0023988900000000, 0.0000000000000000, -0.0008401100000000 ] - [ -0.0044535800000000, 0.0003901500000000, -0.0019958800000000 ] - [ 0.0072303000000000, 0.0091617500000000, -0.0081857600000000 ] - [ 0.0015036800000000, 0.0000000000000000, -0.0011929200000000 ] - [ 0.0072303000000000, -0.0091617500000000, -0.0081857600000000 ] - [ 0.0044167800000000, 0.0020514200000000, 0.0095191900000000 ] - [ 0.0019221500000000, 0.0000000000000000, 0.0003841100000000 ] - [ 0.0044167800000000, -0.0020514200000000, 0.0095191900000000 ] - [ -0.0086671400000000, 0.0000000000000000, -0.0062593400000000 ] - [ -0.0001425800000000, 0.0010614700000000, -0.0008379900000000 ] - [ -0.0001425800000000, -0.0010614700000000, -0.0008379900000000 ] - [ 0.0001920200000000, 0.0000000000000000, 0.0001935800000000 ] - [ 0.0002016200000000, 0.0000477600000000, -0.0001783700000000 ] - [ 0.0002016200000000, -0.0000477600000000, -0.0001783700000000 ] - [ -0.0031075400000000, -0.0004136800000000, 0.0015827500000000 ] - [ -0.0005692200000000, 0.0000000000000000, 0.0004580700000000 ] - [ -0.0031075400000000, 0.0004136800000000, 0.0015827500000000 ] - [ -0.0001971900000000, -0.0001029000000000, 0.0001744400000000 ] - [ -0.0001945000000000, 0.0000000000000000, 0.0001257500000000 ] - [ -0.0001971900000000, 0.0001029000000000, 0.0001744400000000 ] - [ -0.0077439100000000, 0.0084740500000000, 0.0016859000000000 ] - [ -0.0002218100000000, 0.0000000000000000, -0.0003447400000000 ] - [ -0.0077439100000000, -0.0084740500000000, 0.0016859000000000 ] - [ -0.0002164500000000, 0.0001670800000000, -0.0003453400000000 ] - [ -0.0001382400000000, 0.0000000000000000, -0.0003210900000000 ] - [ -0.0002164500000000, -0.0001670800000000, -0.0003453400000000 ] - [ -0.0025975100000000, 0.0000000000000000, -0.0009276300000000 ] - [ -0.0017734300000000, -0.0021958400000000, -0.0003000000000000 ] - [ -0.0017734300000000, 0.0021958400000000, -0.0003000000000000 ] - [ 0.0003832400000000, 0.0000000000000000, 0.0010645300000000 ] - [ 0.0002951000000000, -0.0000383100000000, 0.0004914400000000 ] - [ 0.0002951000000000, 0.0000383100000000, 0.0004914400000000 ] - [ -0.0007667700000000, 0.0003215100000000, -0.0004701500000000 ] - [ -0.0006223900000000, 0.0000000000000000, -0.0003879700000000 ] - [ -0.0007667700000000, -0.0003215100000000, -0.0004701500000000 ] - [ -0.0011886800000000, 0.0005410400000000, -0.0002432100000000 ] - [ -0.0009225800000000, 0.0000000000000000, -0.0004886400000000 ] - [ -0.0011886800000000, -0.0005410400000000, -0.0002432100000000 ] - [ 0.0016274000000000, 0.0000000000000000, 0.0020233300000000 ] - [ 0.0006071100000000, -0.0004312200000000, 0.0008365800000000 ] - [ 0.0006071100000000, 0.0004312200000000, 0.0008365800000000 ] - [ 0.0015886400000000, 0.0000000000000000, -0.0062891200000000 ] - [ 0.0011822100000000, -0.0010424300000000, -0.0008567700000000 ] - [ 0.0011822100000000, 0.0010424300000000, -0.0008567700000000 ] - [ -0.0008240600000000, 0.0000000000000000, -0.0003645700000000 ] - [ -0.0003092300000000, 0.0002316600000000, -0.0004901000000000 ] - [ -0.0003092300000000, -0.0002316600000000, -0.0004901000000000 ] - [ -0.0014908600000000, 0.0000000000000000, 0.0004432900000000 ] - [ -0.0005627800000000, 0.0000421600000000, -0.0000253300000000 ] - [ -0.0005627800000000, -0.0000421600000000, -0.0000253300000000 ] - [ -0.0013576700000000, -0.0053006500000000, 0.0051536500000000 ] - [ 0.0003503200000000, 0.0000000000000000, 0.0004109000000000 ] - [ -0.0013576700000000, 0.0053006500000000, 0.0051536500000000 ] - [ 0.0002469000000000, -0.0000782000000000, -0.0001682500000000 ] - [ 0.0002072500000000, 0.0000000000000000, 0.0002140300000000 ] - [ 0.0002469000000000, 0.0000782000000000, -0.0001682500000000 ] - [ 0.0040696600000000, -0.0012609300000000, -0.0004495400000000 ] - [ 0.0009420700000000, 0.0000000000000000, -0.0002740500000000 ] - [ 0.0040696600000000, 0.0012609300000000, -0.0004495400000000 ] - [ 0.0008316800000000, -0.0002341800000000, -0.0004184800000000 ] - [ 0.0006265000000000, 0.0000000000000000, -0.0003565400000000 ] - [ 0.0008316800000000, 0.0002341800000000, -0.0004184800000000 ] - [ -0.0074660100000000, -0.0012168500000000, -0.0026232200000000 ] - [ -0.0017042300000000, 0.0000000000000000, -0.0003703200000000 ] - [ -0.0074660100000000, 0.0012168500000000, -0.0026232200000000 ] - [ -0.0007742300000000, 0.0001071600000000, -0.0001341200000000 ] - [ -0.0005668400000000, 0.0000000000000000, 0.0000998800000000 ] - [ -0.0007742300000000, -0.0001071600000000, -0.0001341200000000 ] - [ 0.0016406700000000, 0.0000000000000000, 0.0015821900000000 ] - [ 0.0002967000000000, -0.0003506300000000, 0.0000918700000000 ] - [ 0.0002967000000000, 0.0003506300000000, 0.0000918700000000 ] - [ 0.0019386400000000, 0.0000000000000000, -0.0020963900000000 ] - [ 0.0006254900000000, -0.0008943400000000, -0.0007378800000000 ] - [ 0.0006254900000000, 0.0008943400000000, -0.0007378800000000 ] - [ 0.0038281900000000, 0.0000000000000000, -0.0028238100000000 ] - [ 0.0003369900000000, 0.0007651100000000, -0.0006069300000000 ] - [ 0.0003369900000000, -0.0007651100000000, -0.0006069300000000 ] - [ 0.0000322600000000, 0.0000000000000000, 0.0011985700000000 ] - [ 0.0000090300000000, 0.0004730800000000, 0.0009140200000000 ] - [ 0.0000090300000000, -0.0004730800000000, 0.0009140200000000 ] - [ -0.0123710000000000, 0.0030399700000000, -0.0040491000000000 ] - [ -0.0011301700000000, 0.0000000000000000, 0.0004624300000000 ] - [ -0.0123710000000000, -0.0030399700000000, -0.0040491000000000 ] - [ -0.0014470200000000, -0.0000079300000000, -0.0002253200000000 ] - [ -0.0005924800000000, 0.0000000000000000, -0.0000936400000000 ] - [ -0.0014470200000000, 0.0000079300000000, -0.0002253200000000 ] - [ 0.0042768600000000, 0.0005095400000000, -0.0007080700000000 ] - [ 0.0018618000000000, 0.0000000000000000, -0.0001846700000000 ] - [ 0.0042768600000000, -0.0005095400000000, -0.0007080700000000 ] - [ 0.0014133500000000, 0.0001200200000000, 0.0000907600000000 ] - [ 0.0013114400000000, 0.0000000000000000, 0.0001816000000000 ] - [ 0.0014133500000000, -0.0001200200000000, 0.0000907600000000 ] - [ -0.0227194500000000, 0.0070015100000000, 0.0005903100000000 ] - [ -0.0010243000000000, 0.0000000000000000, 0.0005446600000000 ] - [ -0.0227194500000000, -0.0070015100000000, 0.0005903100000000 ] - [ -0.0000844700000000, -0.0001785600000000, 0.0011035800000000 ] - [ 0.0001130100000000, 0.0000000000000000, 0.0004706000000000 ] - [ -0.0000844700000000, 0.0001785600000000, 0.0011035800000000 ] - [ 0.0029329800000000, -0.0002214900000000, -0.0005332100000000 ] - [ 0.0020223200000000, 0.0000000000000000, -0.0001273500000000 ] - [ 0.0029329800000000, 0.0002214900000000, -0.0005332100000000 ] - [ 0.0018349400000000, -0.0002007100000000, -0.0003411400000000 ] - [ 0.0012524000000000, 0.0000000000000000, -0.0001985100000000 ] - [ 0.0018349400000000, 0.0002007100000000, -0.0003411400000000 ] - [ 0.0013621700000000, 0.0000000000000000, -0.0020214300000000 ] - [ 0.0002172000000000, 0.0001612600000000, -0.0005126200000000 ] - [ 0.0002172000000000, -0.0001612600000000, -0.0005126200000000 ] - [ 0.0034866000000000, 0.0000000000000000, 0.0010887300000000 ] - [ 0.0026250200000000, 0.0014934700000000, 0.0006385700000000 ] - [ 0.0026250200000000, -0.0014934700000000, 0.0006385700000000 ] - [ -0.0042369100000000, 0.0000000000000000, 0.0007226500000000 ] - [ -0.0027358100000000, -0.0004151600000000, -0.0005064900000000 ] - [ -0.0027358100000000, 0.0004151600000000, -0.0005064900000000 ] - [ -0.0153186700000000, 0.0000000000000000, 0.0047937800000000 ] - [ -0.0047814300000000, -0.0003951100000000, 0.0000733200000000 ] - [ -0.0047814300000000, 0.0003951100000000, 0.0000733200000000 ] - [ 0.0019726600000000, 0.0000000000000000, 0.0005372200000000 ] - [ 0.0010506500000000, -0.0000279900000000, 0.0006950100000000 ] - [ 0.0010506500000000, 0.0000279900000000, 0.0006950100000000 ] - [ 0.0015142100000000, 0.0000000000000000, 0.0003001100000000 ] - [ 0.0007576900000000, -0.0000028600000000, 0.0005055700000000 ] - [ 0.0007576900000000, 0.0000028600000000, 0.0005055700000000 ] - [ -0.0307672500000000, 0.0000000000000000, -0.0027480200000000 ] - [ -0.0021700300000000, -0.0025262500000000, 0.0013271100000000 ] - [ -0.0021700300000000, 0.0025262500000000, 0.0013271100000000 ] - [ -0.0016058900000000, 0.0000000000000000, -0.0010811100000000 ] - [ -0.0008778800000000, -0.0006788800000000, -0.0005951000000000 ] - [ -0.0008778800000000, 0.0006788800000000, -0.0005951000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006001700000000, -0.1622095300000000, 0.0003184800000000 ] - [ 0.0023615000000000, 0.0392886600000000, 0.0002977200000000 ] - [ -0.0019158200000000, 0.0388242300000000, 0.0001389500000000 ] - [ 0.0002048700000000, -0.0022435400000000, 0.0001896000000000 ] - [ 0.0004244500000000, 0.0011073000000000, -0.0000286300000000 ] - [ -0.0000113400000000, 0.0011323600000000, 0.0004340100000000 ] - [ 0.0002146300000000, -0.0040272400000000, -0.0002090600000000 ] - [ 0.0007249500000000, 0.0020101300000000, -0.0002937800000000 ] - [ -0.0003062400000000, 0.0020177700000000, -0.0000985800000000 ] - [ 0.0002128800000000, -0.0008347600000000, -0.0002225200000000 ] - [ 0.0003198600000000, 0.0004117900000000, -0.0002235800000000 ] - [ 0.0000913000000000, 0.0004226300000000, -0.0002114800000000 ] - [ 0.0001961800000000, -0.0014548000000000, -0.0009258900000000 ] - [ -0.0001997000000000, 0.0028702000000000, 0.0002075800000000 ] - [ -0.0006102100000000, -0.0014326400000000, 0.0013551000000000 ] - [ 0.0017769800000000, -0.0014441200000000, 0.0021022200000000 ] - [ -0.0002108000000000, 0.0028660800000000, 0.0002021100000000 ] - [ -0.0022182800000000, -0.0014397200000000, -0.0016785900000000 ] - [ -0.0093728700000000, -0.0024453900000000, -0.0127943300000000 ] - [ -0.0002087200000000, 0.0065735000000000, -0.0002249000000000 ] - [ 0.0089184300000000, -0.0023705100000000, 0.0123543500000000 ] - [ -0.0022574300000000, -0.0024969100000000, 0.0146200700000000 ] - [ -0.0002151500000000, 0.0065512200000000, -0.0002069600000000 ] - [ 0.0018652200000000, -0.0024066700000000, -0.0149818500000000 ] - [ 0.0003152400000000, -0.0007125700000000, -0.0003438500000000 ] - [ -0.0008270100000000, 0.0006001300000000, -0.0005454500000000 ] - [ 0.0014462400000000, 0.0006009200000000, -0.0001417400000000 ] - [ 0.0003208700000000, -0.0000759400000000, -0.0003438500000000 ] - [ 0.0000980600000000, 0.0000335100000000, -0.0002389700000000 ] - [ 0.0005163500000000, 0.0000342400000000, -0.0004454400000000 ] - [ 0.0028945900000000, -0.0003375200000000, -0.0014501600000000 ] - [ -0.0001631600000000, 0.0005916800000000, 0.0002927700000000 ] - [ -0.0032152900000000, -0.0003399000000000, 0.0020341100000000 ] - [ -0.0000210400000000, -0.0001269800000000, 0.0002478100000000 ] - [ -0.0001526000000000, 0.0002574600000000, 0.0002878800000000 ] - [ -0.0002686300000000, -0.0001259900000000, 0.0003215700000000 ] - [ -0.0070840900000000, 0.0020993400000000, -0.0011739500000000 ] - [ -0.0001490600000000, 0.0008603600000000, -0.0002863000000000 ] - [ 0.0066584400000000, 0.0020618700000000, 0.0006078900000000 ] - [ -0.0003027300000000, -0.0000902500000000, -0.0003020500000000 ] - [ -0.0001525200000000, 0.0001792800000000, -0.0002879700000000 ] - [ -0.0000033800000000, -0.0000893600000000, -0.0002743500000000 ] - [ 0.0002925000000000, -0.0043739100000000, 0.0003380500000000 ] - [ 0.0015191200000000, 0.0025051300000000, 0.0007155000000000 ] - [ -0.0009017900000000, 0.0025195500000000, -0.0000300300000000 ] - [ 0.0002925100000000, -0.0002166200000000, 0.0003384400000000 ] - [ 0.0003052200000000, 0.0001091100000000, 0.0001204200000000 ] - [ 0.0003134900000000, 0.0001096700000000, 0.0005640400000000 ] - [ -0.0003303000000000, -0.0001953000000000, -0.0003783700000000 ] - [ -0.0003140100000000, 0.0003963700000000, -0.0003441000000000 ] - [ -0.0002709200000000, -0.0001921100000000, -0.0003020800000000 ] - [ -0.0004076400000000, -0.0003321100000000, -0.0000965500000000 ] - [ -0.0003257500000000, 0.0006599900000000, -0.0003469600000000 ] - [ -0.0002096400000000, -0.0003306800000000, -0.0005877900000000 ] - [ 0.0001550800000000, -0.0023166500000000, 0.0002916900000000 ] - [ 0.0006378500000000, 0.0011324900000000, -0.0007072200000000 ] - [ -0.0003463000000000, 0.0011350000000000, 0.0012774000000000 ] - [ 0.0001725800000000, -0.0013217700000000, 0.0003037900000000 ] - [ 0.0005402300000000, 0.0006958400000000, 0.0009629200000000 ] - [ -0.0002226500000000, 0.0006982100000000, -0.0003814700000000 ] - [ 0.0001450200000000, -0.0003017300000000, -0.0002850000000000 ] - [ 0.0000247200000000, 0.0001538600000000, -0.0003659300000000 ] - [ 0.0002942100000000, 0.0001555800000000, -0.0002170600000000 ] - [ 0.0001596500000000, -0.0000114000000000, -0.0002905100000000 ] - [ -0.0003217200000000, 0.0000038200000000, -0.0000135900000000 ] - [ 0.0006312000000000, 0.0000050800000000, -0.0005637700000000 ] - [ 0.0043741300000000, 0.0013957600000000, -0.0022691400000000 ] - [ -0.0003079000000000, 0.0009875600000000, 0.0003434000000000 ] - [ -0.0049446700000000, 0.0013658400000000, 0.0029103000000000 ] - [ -0.0001629700000000, -0.0003175100000000, 0.0005428400000000 ] - [ -0.0003024700000000, 0.0005800200000000, 0.0003405800000000 ] - [ -0.0004699000000000, -0.0003110700000000, 0.0001411900000000 ] - [ 0.0023682400000000, 0.0005971100000000, 0.0003778300000000 ] - [ 0.0000337100000000, -0.0011669500000000, -0.0001482600000000 ] - [ -0.0022883500000000, 0.0006046400000000, -0.0006579400000000 ] - [ 0.0001693300000000, 0.0002345200000000, -0.0001541500000000 ] - [ 0.0000280600000000, -0.0004880600000000, -0.0001584900000000 ] - [ -0.0001091300000000, 0.0002455000000000, -0.0001576000000000 ] - [ -0.0005631800000000, 0.0066061300000000, 0.0012142600000000 ] - [ 0.0000125300000000, -0.0044578000000000, 0.0001566500000000 ] - [ 0.0009087900000000, 0.0063387900000000, -0.0007923900000000 ] - [ -0.0001052100000000, 0.0003291100000000, 0.0002303500000000 ] - [ 0.0000282800000000, -0.0006736000000000, 0.0001480900000000 ] - [ 0.0001678700000000, 0.0003429400000000, 0.0000599000000000 ] - [ -0.0000355400000000, 0.0013011000000000, -0.0001595400000000 ] - [ 0.0007312700000000, -0.0006984500000000, 0.0003910600000000 ] - [ -0.0007906000000000, -0.0007055500000000, -0.0006885400000000 ] - [ -0.0000282100000000, 0.0028101500000000, -0.0001644500000000 ] - [ 0.0012355200000000, -0.0014227400000000, -0.0009848200000000 ] - [ -0.0012908100000000, -0.0014363200000000, 0.0006758100000000 ] - [ -0.0000287600000000, 0.0029725300000000, 0.0001546100000000 ] - [ -0.0019778500000000, -0.0015607900000000, 0.0011528700000000 ] - [ 0.0019089000000000, -0.0015670000000000, -0.0008390300000000 ] - [ -0.0000326200000000, 0.0013190500000000, 0.0001490400000000 ] - [ -0.0006307800000000, -0.0007141300000000, -0.0005432800000000 ] - [ 0.0005540200000000, -0.0007227900000000, 0.0008354600000000 ] - [ 0.0030963900000000, 0.0140664800000000, -0.0034593300000000 ] - [ 0.0003551000000000, -0.0064130800000000, 0.0000661000000000 ] - [ -0.0021896600000000, 0.0131844600000000, 0.0028686500000000 ] - [ -0.0004408000000000, 0.0009376000000000, -0.0007607700000000 ] - [ 0.0003671700000000, -0.0014948400000000, 0.0000382100000000 ] - [ 0.0011740300000000, 0.0008925100000000, 0.0008601800000000 ] - [ -0.0014985600000000, 0.0007460500000000, 0.0006829500000000 ] - [ 0.0006214000000000, -0.0014559900000000, -0.0002374200000000 ] - [ 0.0027477700000000, 0.0007302400000000, -0.0011608100000000 ] - [ 0.0004766400000000, 0.0003260200000000, -0.0003736700000000 ] - [ 0.0006325400000000, -0.0006406500000000, -0.0002397600000000 ] - [ 0.0007896900000000, 0.0003058300000000, -0.0001147500000000 ] - [ -0.0111173000000000, 0.0189030400000000, 0.0014080600000000 ] - [ 0.0006418300000000, -0.0075948100000000, 0.0002340700000000 ] - [ 0.0114886300000000, 0.0177829400000000, -0.0004708300000000 ] - [ 0.0004258900000000, 0.0005488300000000, 0.0011449000000000 ] - [ 0.0006290400000000, -0.0010700500000000, 0.0002363400000000 ] - [ 0.0008275500000000, 0.0005232800000000, -0.0006683200000000 ] - [ 0.0004939100000000, 0.0006150700000000, -0.0003732600000000 ] - [ 0.0003543000000000, -0.0012252500000000, -0.0000499600000000 ] - [ 0.0002506400000000, 0.0005899400000000, 0.0002708600000000 ] - [ 0.0003531800000000, 0.0002495400000000, 0.0000515300000000 ] - [ 0.0003552500000000, -0.0004760300000000, -0.0000521600000000 ] - [ 0.0003844700000000, 0.0002198400000000, -0.0001583600000000 ] - [ -0.0003700500000000, 0.0004930700000000, 0.0000447400000000 ] - [ -0.0007606400000000, -0.0002625400000000, 0.0005780500000000 ] - [ 0.0000390800000000, -0.0002354100000000, -0.0004697700000000 ] - [ -0.0003788500000000, 0.0038300200000000, 0.0000433100000000 ] - [ -0.0022896400000000, -0.0021449500000000, -0.0006741900000000 ] - [ 0.0015735100000000, -0.0021211200000000, 0.0007855900000000 ] - [ -0.0006211100000000, 0.0050694700000000, -0.0002359300000000 ] - [ -0.0001127100000000, -0.0025500600000000, 0.0020776400000000 ] - [ -0.0011554900000000, -0.0025359100000000, -0.0025576700000000 ] - [ -0.0005780800000000, 0.0147633000000000, -0.0001882300000000 ] - [ -0.0004995500000000, -0.0041413400000000, -0.0038976200000000 ] - [ -0.0007493400000000, -0.0041139600000000, 0.0033921700000000 ] - [ -0.0006334800000000, 0.0014006700000000, 0.0002445200000000 ] - [ -0.0004751900000000, -0.0007148900000000, 0.0006987000000000 ] - [ -0.0007812900000000, -0.0006937100000000, -0.0002089400000000 ] - [ -0.0006166100000000, 0.0006993300000000, 0.0002358000000000 ] - [ -0.0003981200000000, -0.0003598000000000, -0.0000900700000000 ] - [ -0.0008527600000000, -0.0003371400000000, 0.0005719700000000 ] - [ -0.0003227100000000, 0.0154016400000000, -0.0000479400000000 ] - [ 0.0022756200000000, -0.0044352900000000, 0.0035059400000000 ] - [ -0.0029859700000000, -0.0043859300000000, -0.0035717300000000 ] - [ -0.0003676900000000, 0.0025153300000000, -0.0000500700000000 ] - [ 0.0000199600000000, -0.0012941400000000, -0.0007986900000000 ] - [ -0.0007575100000000, -0.0012633400000000, 0.0006835100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0110115600000000, 0.0000000000000000, -0.1389688300000000 ] - [ 0.0021367600000000, -0.0001331200000000, -0.0148422500000000 ] - [ 0.0021367600000000, 0.0001331200000000, -0.0148422500000000 ] - [ 0.0002692000000000, 0.0000000000000000, 0.0103250400000000 ] - [ 0.0002398400000000, 0.0002446700000000, 0.0053545800000000 ] - [ 0.0002398400000000, -0.0002446700000000, 0.0053545800000000 ] - [ 0.0009516400000000, 0.0000000000000000, -0.0036680900000000 ] - [ 0.0010027300000000, -0.0001024000000000, -0.0028042800000000 ] - [ 0.0010027300000000, 0.0001024000000000, -0.0028042800000000 ] - [ 0.0004614100000000, 0.0000000000000000, 0.0028474700000000 ] - [ 0.0001859600000000, -0.0000083300000000, 0.0019131600000000 ] - [ 0.0001859600000000, 0.0000083300000000, 0.0019131600000000 ] - [ -0.0024381300000000, -0.0018835200000000, 0.0007469200000000 ] - [ -0.0012723800000000, 0.0000000000000000, 0.0006415100000000 ] - [ -0.0024381300000000, 0.0018835200000000, 0.0007469200000000 ] - [ 0.0013060900000000, 0.0011386600000000, 0.0007194500000000 ] - [ 0.0003732100000000, 0.0000000000000000, 0.0006195900000000 ] - [ 0.0013060900000000, -0.0011386600000000, 0.0007194500000000 ] - [ 0.0077086700000000, -0.0125047600000000, 0.0152404300000000 ] - [ 0.0007486000000000, 0.0000000000000000, 0.0002164200000000 ] - [ 0.0077086700000000, 0.0125047600000000, 0.0152404300000000 ] - [ -0.0100129100000000, 0.0148752300000000, 0.0125168000000000 ] - [ -0.0008356600000000, 0.0000000000000000, 0.0004719000000000 ] - [ -0.0100129100000000, -0.0148752300000000, 0.0125168000000000 ] - [ 0.0034253200000000, 0.0000000000000000, -0.0026117700000000 ] - [ 0.0004073500000000, 0.0002191900000000, -0.0009419700000000 ] - [ 0.0004073500000000, -0.0002191900000000, -0.0009419700000000 ] - [ -0.0002735500000000, 0.0000000000000000, -0.0002600800000000 ] - [ -0.0000128500000000, -0.0000488600000000, -0.0000453100000000 ] - [ -0.0000128500000000, 0.0000488600000000, -0.0000453100000000 ] - [ 0.0014126700000000, -0.0003852500000000, -0.0014745800000000 ] - [ 0.0001165500000000, 0.0000000000000000, -0.0003511200000000 ] - [ 0.0014126700000000, 0.0003852500000000, -0.0014745800000000 ] - [ -0.0003667200000000, 0.0001316000000000, 0.0009073900000000 ] - [ -0.0002981300000000, 0.0000000000000000, 0.0006903700000000 ] - [ -0.0003667200000000, -0.0001316000000000, 0.0009073900000000 ] - [ -0.0009244300000000, -0.0017886100000000, -0.0037043900000000 ] - [ -0.0002543800000000, 0.0000000000000000, -0.0008721400000000 ] - [ -0.0009244300000000, 0.0017886100000000, -0.0037043900000000 ] - [ 0.0000624900000000, 0.0000061700000000, 0.0003657600000000 ] - [ -0.0001033400000000, 0.0000000000000000, 0.0001851200000000 ] - [ 0.0000624900000000, -0.0000061700000000, 0.0003657600000000 ] - [ 0.0015580800000000, 0.0000000000000000, 0.0002447400000000 ] - [ 0.0011536400000000, 0.0008769700000000, 0.0006751300000000 ] - [ 0.0011536400000000, -0.0008769700000000, 0.0006751300000000 ] - [ 0.0002872300000000, 0.0000000000000000, 0.0010551600000000 ] - [ 0.0002437000000000, -0.0000475600000000, 0.0005394000000000 ] - [ 0.0002437000000000, 0.0000475600000000, 0.0005394000000000 ] - [ 0.0001849700000000, -0.0003782100000000, -0.0000823000000000 ] - [ 0.0000487300000000, 0.0000000000000000, -0.0001357500000000 ] - [ 0.0001849700000000, 0.0003782100000000, -0.0000823000000000 ] - [ -0.0009223300000000, 0.0004207800000000, -0.0007452800000000 ] - [ -0.0007778600000000, 0.0000000000000000, -0.0006130500000000 ] - [ -0.0009223300000000, -0.0004207800000000, -0.0007452800000000 ] - [ -0.0021633000000000, 0.0000000000000000, 0.0036758900000000 ] - [ -0.0005728100000000, -0.0007449500000000, 0.0009293600000000 ] - [ -0.0005728100000000, 0.0007449500000000, 0.0009293600000000 ] - [ 0.0052454300000000, 0.0000000000000000, 0.0071034300000000 ] - [ 0.0005921900000000, 0.0005710800000000, 0.0008245700000000 ] - [ 0.0005921900000000, -0.0005710800000000, 0.0008245700000000 ] - [ 0.0008485200000000, 0.0000000000000000, -0.0004858800000000 ] - [ 0.0003775600000000, -0.0000543900000000, -0.0003617200000000 ] - [ 0.0003775600000000, 0.0000543900000000, -0.0003617200000000 ] - [ -0.0008462000000000, 0.0000000000000000, 0.0002995400000000 ] - [ -0.0001854100000000, -0.0000028500000000, -0.0000579400000000 ] - [ -0.0001854100000000, 0.0000028500000000, -0.0000579400000000 ] - [ -0.0045894800000000, -0.0037957000000000, 0.0023542100000000 ] - [ -0.0003303600000000, 0.0000000000000000, -0.0000047000000000 ] - [ -0.0045894800000000, 0.0037957000000000, 0.0023542100000000 ] - [ 0.0004257400000000, 0.0008249600000000, 0.0012558400000000 ] - [ -0.0002924100000000, 0.0000000000000000, 0.0006259500000000 ] - [ 0.0004257400000000, -0.0008249600000000, 0.0012558400000000 ] - [ -0.0010236100000000, 0.0009853100000000, 0.0014511800000000 ] - [ -0.0003525800000000, 0.0000000000000000, 0.0005174400000000 ] - [ -0.0010236100000000, -0.0009853100000000, 0.0014511800000000 ] - [ 0.0004202400000000, -0.0000669100000000, -0.0010838900000000 ] - [ 0.0003282400000000, 0.0000000000000000, -0.0008043000000000 ] - [ 0.0004202400000000, 0.0000669100000000, -0.0010838900000000 ] - [ 0.0016746700000000, 0.0004983800000000, 0.0060362200000000 ] - [ 0.0001812300000000, 0.0000000000000000, 0.0008726100000000 ] - [ 0.0016746700000000, -0.0004983800000000, 0.0060362200000000 ] - [ 0.0000427000000000, 0.0002323500000000, -0.0011580200000000 ] - [ 0.0001136000000000, 0.0000000000000000, -0.0005348300000000 ] - [ 0.0000427000000000, -0.0002323500000000, -0.0011580200000000 ] - [ -0.0027154300000000, 0.0000000000000000, -0.0020540300000000 ] - [ -0.0011215200000000, 0.0008554900000000, -0.0006334800000000 ] - [ -0.0011215200000000, -0.0008554900000000, -0.0006334800000000 ] - [ 0.0031310800000000, 0.0000000000000000, -0.0003853900000000 ] - [ 0.0012644300000000, -0.0010278300000000, 0.0000375100000000 ] - [ 0.0012644300000000, 0.0010278300000000, 0.0000375100000000 ] - [ 0.0048581300000000, 0.0000000000000000, -0.0010106500000000 ] - [ 0.0014713100000000, 0.0009719700000000, 0.0001911500000000 ] - [ 0.0014713100000000, -0.0009719700000000, 0.0001911500000000 ] - [ -0.0028796100000000, 0.0000000000000000, -0.0008793800000000 ] - [ -0.0004799500000000, -0.0003044300000000, -0.0001440200000000 ] - [ -0.0004799500000000, 0.0003044300000000, -0.0001440200000000 ] - [ -0.0004831200000000, -0.0013325700000000, 0.0179595100000000 ] - [ 0.0005503200000000, 0.0000000000000000, 0.0024036800000000 ] - [ -0.0004831200000000, 0.0013325700000000, 0.0179595100000000 ] - [ -0.0003015600000000, -0.0020764900000000, -0.0051520000000000 ] - [ 0.0001428800000000, 0.0000000000000000, -0.0016151800000000 ] - [ -0.0003015600000000, 0.0020764900000000, -0.0051520000000000 ] - [ 0.0001133300000000, 0.0004429400000000, 0.0018495500000000 ] - [ 0.0007869300000000, 0.0000000000000000, 0.0009292600000000 ] - [ 0.0001133300000000, -0.0004429400000000, 0.0018495500000000 ] - [ 0.0002276200000000, -0.0002686700000000, -0.0015756200000000 ] - [ 0.0003998700000000, 0.0000000000000000, -0.0011611900000000 ] - [ 0.0002276200000000, 0.0002686700000000, -0.0015756200000000 ] - [ -0.0034259200000000, 0.0045810500000000, 0.0166786300000000 ] - [ -0.0004108500000000, 0.0000000000000000, 0.0021311800000000 ] - [ -0.0034259200000000, -0.0045810500000000, 0.0166786300000000 ] - [ 0.0008494100000000, 0.0003632300000000, -0.0036125200000000 ] - [ 0.0007013400000000, 0.0000000000000000, -0.0015506200000000 ] - [ 0.0008494100000000, -0.0003632300000000, -0.0036125200000000 ] - [ 0.0005597500000000, -0.0003797500000000, 0.0013185900000000 ] - [ 0.0005813800000000, 0.0000000000000000, 0.0009005800000000 ] - [ 0.0005597500000000, 0.0003797500000000, 0.0013185900000000 ] - [ 0.0001902900000000, 0.0003250300000000, -0.0012475000000000 ] - [ 0.0002534100000000, 0.0000000000000000, -0.0009783100000000 ] - [ 0.0001902900000000, -0.0003250300000000, -0.0012475000000000 ] - [ 0.0005990700000000, 0.0000000000000000, -0.0020477400000000 ] - [ -0.0001656500000000, 0.0001305200000000, -0.0008665700000000 ] - [ -0.0001656500000000, -0.0001305200000000, -0.0008665700000000 ] - [ -0.0019692000000000, 0.0000000000000000, 0.0006698000000000 ] - [ -0.0015143100000000, -0.0006970600000000, 0.0003042500000000 ] - [ -0.0015143100000000, 0.0006970600000000, 0.0003042500000000 ] - [ 0.0001032100000000, 0.0000000000000000, -0.0081570800000000 ] - [ 0.0001610500000000, 0.0027473800000000, -0.0029016800000000 ] - [ 0.0001610500000000, -0.0027473800000000, -0.0029016800000000 ] - [ 0.0033936800000000, 0.0000000000000000, 0.0216673100000000 ] - [ -0.0007787700000000, -0.0031679500000000, 0.0003835200000000 ] - [ -0.0007787700000000, 0.0031679500000000, 0.0003835200000000 ] - [ -0.0004491200000000, 0.0000000000000000, 0.0009389400000000 ] - [ -0.0004906100000000, 0.0002336400000000, 0.0008138500000000 ] - [ -0.0004906100000000, -0.0002336400000000, 0.0008138500000000 ] - [ -0.0003954800000000, 0.0000000000000000, -0.0006406400000000 ] - [ -0.0006524100000000, -0.0001644200000000, -0.0004004300000000 ] - [ -0.0006524100000000, 0.0001644200000000, -0.0004004300000000 ] - [ 0.0119334500000000, 0.0000000000000000, 0.0189230200000000 ] - [ -0.0016876200000000, 0.0019456900000000, 0.0028393000000000 ] - [ -0.0016876200000000, -0.0019456900000000, 0.0028393000000000 ] - [ 0.0013379900000000, 0.0000000000000000, -0.0045774200000000 ] - [ -0.0003142100000000, -0.0015305000000000, -0.0026644200000000 ] - [ -0.0003142100000000, 0.0015305000000000, -0.0026644200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0123747900000000, 0.0000000000000000, 0.1386589700000000 ] - [ -0.0017080000000000, 0.0000143300000000, 0.0153109000000000 ] - [ -0.0017080000000000, -0.0000143300000000, 0.0153109000000000 ] - [ 0.0001697500000000, 0.0000000000000000, -0.0099293200000000 ] - [ 0.0001970700000000, -0.0002296300000000, -0.0049245000000000 ] - [ 0.0001970700000000, 0.0002296300000000, -0.0049245000000000 ] - [ -0.0005127700000000, 0.0000000000000000, 0.0032400800000000 ] - [ -0.0005722000000000, 0.0000995300000000, 0.0023948600000000 ] - [ -0.0005722000000000, -0.0000995300000000, 0.0023948600000000 ] - [ -0.0000137900000000, 0.0000000000000000, -0.0033026500000000 ] - [ 0.0002524300000000, 0.0000077300000000, -0.0023644100000000 ] - [ 0.0002524300000000, -0.0000077300000000, -0.0023644100000000 ] - [ 0.0020086700000000, 0.0018895800000000, -0.0002905900000000 ] - [ 0.0008381300000000, 0.0000000000000000, -0.0001956900000000 ] - [ 0.0020086700000000, -0.0018895800000000, -0.0002905900000000 ] - [ -0.0017660000000000, -0.0011268400000000, -0.0003135800000000 ] - [ -0.0008197400000000, 0.0000000000000000, -0.0002141700000000 ] - [ -0.0017660000000000, 0.0011268400000000, -0.0003135800000000 ] - [ -0.0082188000000000, 0.0126362600000000, -0.0157475100000000 ] - [ -0.0011774000000000, 0.0000000000000000, -0.0006360300000000 ] - [ -0.0082188000000000, -0.0126362600000000, -0.0157475100000000 ] - [ 0.0094547200000000, -0.0147244200000000, -0.0128907800000000 ] - [ 0.0003927800000000, 0.0000000000000000, -0.0009367900000000 ] - [ 0.0094547200000000, 0.0147244200000000, -0.0128907800000000 ] - [ -0.0028746000000000, 0.0000000000000000, 0.0018845300000000 ] - [ 0.0002155900000000, -0.0002205800000000, 0.0002561500000000 ] - [ 0.0002155900000000, 0.0002205800000000, 0.0002561500000000 ] - [ 0.0008882900000000, 0.0000000000000000, -0.0004322400000000 ] - [ 0.0006194200000000, 0.0000482600000000, -0.0006430100000000 ] - [ 0.0006194200000000, -0.0000482600000000, -0.0006430100000000 ] - [ -0.0017370400000000, 0.0003874400000000, 0.0020621500000000 ] - [ -0.0004436000000000, 0.0000000000000000, 0.0009349300000000 ] - [ -0.0017370400000000, -0.0003874400000000, 0.0020621500000000 ] - [ 0.0000788300000000, -0.0001296300000000, -0.0003437100000000 ] - [ -0.0000109400000000, 0.0000000000000000, -0.0001196500000000 ] - [ 0.0000788300000000, 0.0001296300000000, -0.0003437100000000 ] - [ 0.0006219200000000, 0.0017587800000000, 0.0031472400000000 ] - [ -0.0000555600000000, 0.0000000000000000, 0.0003013200000000 ] - [ 0.0006219200000000, -0.0017587800000000, 0.0031472400000000 ] - [ -0.0003818900000000, -0.0000058700000000, -0.0009418300000000 ] - [ -0.0001845900000000, 0.0000000000000000, -0.0007494400000000 ] - [ -0.0003818900000000, 0.0000058700000000, -0.0009418300000000 ] - [ -0.0009675800000000, 0.0000000000000000, 0.0004319700000000 ] - [ -0.0005443700000000, -0.0008944900000000, 0.0000135500000000 ] - [ -0.0005443700000000, 0.0008944900000000, 0.0000135500000000 ] - [ 0.0003203300000000, 0.0000000000000000, -0.0003705000000000 ] - [ 0.0003641400000000, 0.0000495400000000, 0.0001470300000000 ] - [ 0.0003641400000000, -0.0000495400000000, 0.0001470300000000 ] - [ -0.0007892900000000, 0.0003790700000000, -0.0006031300000000 ] - [ -0.0006641000000000, 0.0000000000000000, -0.0005526100000000 ] - [ -0.0007892900000000, -0.0003790700000000, -0.0006031300000000 ] - [ 0.0003089100000000, -0.0004178600000000, 0.0000566200000000 ] - [ 0.0001460900000000, 0.0000000000000000, -0.0000800200000000 ] - [ 0.0003089100000000, 0.0004178600000000, 0.0000566200000000 ] - [ 0.0025035200000000, 0.0000000000000000, -0.0031414700000000 ] - [ 0.0008705400000000, 0.0007448100000000, -0.0003548600000000 ] - [ 0.0008705400000000, -0.0007448100000000, -0.0003548600000000 ] - [ -0.0048113100000000, 0.0000000000000000, -0.0063432100000000 ] - [ -0.0002731300000000, -0.0005688200000000, -0.0002540300000000 ] - [ -0.0002731300000000, 0.0005688200000000, -0.0002540300000000 ] - [ -0.0005586300000000, 0.0000000000000000, -0.0000765800000000 ] - [ -0.0000710500000000, 0.0000535000000000, -0.0002084700000000 ] - [ -0.0000710500000000, -0.0000535000000000, -0.0002084700000000 ] - [ 0.0011678300000000, 0.0000000000000000, -0.0008760100000000 ] - [ 0.0005028000000000, 0.0000024000000000, -0.0005196400000000 ] - [ 0.0005028000000000, -0.0000024000000000, -0.0005196400000000 ] - [ 0.0040187900000000, 0.0038436900000000, -0.0016799100000000 ] - [ -0.0002849100000000, 0.0000000000000000, 0.0006961900000000 ] - [ 0.0040187900000000, -0.0038436900000000, -0.0016799100000000 ] - [ -0.0010430400000000, -0.0008191500000000, -0.0005615700000000 ] - [ -0.0003170100000000, 0.0000000000000000, 0.0000594000000000 ] - [ -0.0010430400000000, 0.0008191500000000, -0.0005615700000000 ] - [ 0.0011505700000000, -0.0010187500000000, -0.0017811200000000 ] - [ 0.0004606000000000, 0.0000000000000000, -0.0008397100000000 ] - [ 0.0011505700000000, 0.0010187500000000, -0.0017811200000000 ] - [ -0.0002974800000000, 0.0000489900000000, 0.0007347600000000 ] - [ -0.0002177100000000, 0.0000000000000000, 0.0004520600000000 ] - [ -0.0002974800000000, -0.0000489900000000, 0.0007347600000000 ] - [ -0.0014444700000000, -0.0004357600000000, -0.0056482400000000 ] - [ -0.0000728900000000, 0.0000000000000000, -0.0005258700000000 ] - [ -0.0014444700000000, 0.0004357600000000, -0.0056482400000000 ] - [ 0.0000618100000000, -0.0002540500000000, 0.0014869200000000 ] - [ -0.0000070100000000, 0.0000000000000000, 0.0008688000000000 ] - [ 0.0000618100000000, 0.0002540500000000, 0.0014869200000000 ] - [ 0.0026124000000000, 0.0000000000000000, 0.0017052200000000 ] - [ 0.0010126100000000, -0.0008581700000000, 0.0002919800000000 ] - [ 0.0010126100000000, 0.0008581700000000, 0.0002919800000000 ] - [ -0.0032191500000000, 0.0000000000000000, 0.0000480600000000 ] - [ -0.0013759500000000, 0.0010304000000000, -0.0003619400000000 ] - [ -0.0013759500000000, -0.0010304000000000, -0.0003619400000000 ] - [ -0.0050083400000000, 0.0000000000000000, 0.0013677200000000 ] - [ -0.0015838500000000, -0.0009722100000000, 0.0001531200000000 ] - [ -0.0015838500000000, 0.0009722100000000, 0.0001531200000000 ] - [ 0.0027249400000000, 0.0000000000000000, 0.0012080700000000 ] - [ 0.0003616500000000, 0.0003076100000000, 0.0004753800000000 ] - [ 0.0003616500000000, -0.0003076100000000, 0.0004753800000000 ] - [ 0.0013954600000000, 0.0020727300000000, -0.0184366600000000 ] - [ 0.0002517200000000, 0.0000000000000000, -0.0023296800000000 ] - [ 0.0013954600000000, -0.0020727300000000, -0.0184366600000000 ] - [ 0.0011059600000000, 0.0020859600000000, 0.0052218500000000 ] - [ 0.0006646100000000, 0.0000000000000000, 0.0017054000000000 ] - [ 0.0011059600000000, -0.0020859600000000, 0.0052218500000000 ] - [ 0.0010843900000000, -0.0004301900000000, -0.0023342300000000 ] - [ 0.0003931500000000, 0.0000000000000000, -0.0013899000000000 ] - [ 0.0010843900000000, 0.0004301900000000, -0.0023342300000000 ] - [ 0.0009808400000000, 0.0002834100000000, 0.0010984200000000 ] - [ 0.0007940200000000, 0.0000000000000000, 0.0007002800000000 ] - [ 0.0009808400000000, -0.0002834100000000, 0.0010984200000000 ] - [ 0.0045014500000000, -0.0043197100000000, -0.0160984000000000 ] - [ 0.0015920800000000, 0.0000000000000000, -0.0016586700000000 ] - [ 0.0045014500000000, 0.0043197100000000, -0.0160984000000000 ] - [ 0.0003404300000000, -0.0003524900000000, 0.0040847500000000 ] - [ 0.0005215900000000, 0.0000000000000000, 0.0020171500000000 ] - [ 0.0003404300000000, 0.0003524900000000, 0.0040847500000000 ] - [ 0.0002658100000000, 0.0004106400000000, -0.0014081800000000 ] - [ 0.0002078900000000, 0.0000000000000000, -0.0009840900000000 ] - [ 0.0002658100000000, -0.0004106400000000, -0.0014081800000000 ] - [ 0.0006368800000000, -0.0003007900000000, 0.0011508200000000 ] - [ 0.0005537500000000, 0.0000000000000000, 0.0008881400000000 ] - [ 0.0006368800000000, 0.0003007900000000, 0.0011508200000000 ] - [ -0.0014196000000000, 0.0000000000000000, 0.0021372400000000 ] - [ -0.0006537200000000, -0.0001631200000000, 0.0009578200000000 ] - [ -0.0006537200000000, 0.0001631200000000, 0.0009578200000000 ] - [ 0.0011605700000000, 0.0000000000000000, -0.0005703800000000 ] - [ 0.0007358200000000, 0.0006802400000000, -0.0002030300000000 ] - [ 0.0007358200000000, -0.0006802400000000, -0.0002030300000000 ] - [ -0.0012902300000000, 0.0000000000000000, 0.0077641400000000 ] - [ -0.0013736000000000, -0.0027779700000000, 0.0024153000000000 ] - [ -0.0013736000000000, 0.0027779700000000, 0.0024153000000000 ] - [ -0.0045810600000000, 0.0000000000000000, -0.0199702500000000 ] - [ -0.0004061300000000, 0.0031354200000000, -0.0008253900000000 ] - [ -0.0004061300000000, -0.0031354200000000, -0.0008253900000000 ] - [ -0.0007612900000000, 0.0000000000000000, -0.0004698300000000 ] - [ -0.0007038000000000, -0.0002580600000000, -0.0003442100000000 ] - [ -0.0007038000000000, 0.0002580600000000, -0.0003442100000000 ] - [ -0.0007716000000000, 0.0000000000000000, 0.0011134000000000 ] - [ -0.0005272000000000, 0.0001373600000000, 0.0008740700000000 ] - [ -0.0005272000000000, -0.0001373600000000, 0.0008740700000000 ] - [ -0.0136708100000000, 0.0000000000000000, -0.0197124300000000 ] - [ 0.0008789800000000, -0.0019869000000000, -0.0029476600000000 ] - [ 0.0008789800000000, 0.0019869000000000, -0.0029476600000000 ] - [ -0.0021248300000000, 0.0000000000000000, 0.0044832000000000 ] - [ -0.0005043900000000, 0.0014838300000000, 0.0025673700000000 ] - [ -0.0005043900000000, -0.0014838300000000, 0.0025673700000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0090571500000000, 0.0000000000000000, 0.0033049400000000 ] - [ 0.0006225300000000, 0.0011042700000000, 0.0003011000000000 ] - [ 0.0006225300000000, -0.0011042700000000, 0.0003011000000000 ] - [ 0.0003182300000000, 0.0000000000000000, -0.0003591700000000 ] - [ 0.0002724100000000, 0.0002009800000000, -0.0001052000000000 ] - [ 0.0002724100000000, -0.0002009800000000, -0.0001052000000000 ] - [ 0.0030241300000000, 0.0000000000000000, -0.0014535800000000 ] - [ 0.0022258000000000, -0.0011937700000000, -0.0010490600000000 ] - [ 0.0022258000000000, 0.0011937700000000, -0.0010490600000000 ] - [ 0.0000757400000000, 0.0000000000000000, -0.0001951300000000 ] - [ 0.0001731700000000, 0.0000029400000000, -0.0001537700000000 ] - [ 0.0001731700000000, -0.0000029400000000, -0.0001537700000000 ] - [ 0.0006964500000000, -0.0001038500000000, 0.0008175500000000 ] - [ 0.0004199400000000, 0.0000000000000000, 0.0006662100000000 ] - [ 0.0006964500000000, 0.0001038500000000, 0.0008175500000000 ] - [ 0.0003099400000000, -0.0000204300000000, -0.0002717500000000 ] - [ 0.0001341700000000, 0.0000000000000000, -0.0001371000000000 ] - [ 0.0003099400000000, 0.0000204300000000, -0.0002717500000000 ] - [ 0.0008653800000000, 0.0045779800000000, -0.0044591300000000 ] - [ -0.0008096200000000, 0.0000000000000000, -0.0002358900000000 ] - [ 0.0008653800000000, -0.0045779800000000, -0.0044591300000000 ] - [ -0.0007321100000000, 0.0001607800000000, 0.0005237300000000 ] - [ -0.0006798100000000, 0.0000000000000000, -0.0001903700000000 ] - [ -0.0007321100000000, -0.0001607800000000, 0.0005237300000000 ] - [ -0.4140236300000000, 0.0000000000000000, 0.1177868900000000 ] - [ -0.0004955700000000, -0.0001944900000000, -0.0001714400000000 ] - [ -0.0004955700000000, 0.0001944900000000, -0.0001714400000000 ] - [ 0.0002650200000000, 0.0000000000000000, -0.0003915100000000 ] - [ 0.0002156600000000, 0.0000127100000000, -0.0003718000000000 ] - [ 0.0002156600000000, -0.0000127100000000, -0.0003718000000000 ] - [ 0.0001002400000000, 0.0000042100000000, 0.0001974400000000 ] - [ 0.0000110800000000, 0.0000000000000000, 0.0002645300000000 ] - [ 0.0001002400000000, -0.0000042100000000, 0.0001974400000000 ] - [ -0.0000436300000000, 0.0000008700000000, 0.0002700200000000 ] - [ -0.0000882700000000, 0.0000000000000000, 0.0002886300000000 ] - [ -0.0000436300000000, -0.0000008700000000, 0.0002700200000000 ] - [ -0.0021577500000000, 0.0013586300000000, 0.0002111600000000 ] - [ -0.0004734600000000, 0.0000000000000000, -0.0003591900000000 ] - [ -0.0021577500000000, -0.0013586300000000, 0.0002111600000000 ] - [ -0.0003342000000000, -0.0000033000000000, -0.0002664400000000 ] - [ -0.0002388100000000, 0.0000000000000000, -0.0002770600000000 ] - [ -0.0003342000000000, 0.0000033000000000, -0.0002664400000000 ] - [ 0.0004766100000000, 0.0000000000000000, 0.0003852600000000 ] - [ 0.0004714000000000, 0.0000558100000000, 0.0003788300000000 ] - [ 0.0004714000000000, -0.0000558100000000, 0.0003788300000000 ] - [ 0.0003577600000000, 0.0000000000000000, 0.0003073500000000 ] - [ 0.0003819000000000, 0.0000130000000000, 0.0003351000000000 ] - [ 0.0003819000000000, -0.0000130000000000, 0.0003351000000000 ] - [ -0.0004020600000000, 0.0000543100000000, -0.0001940300000000 ] - [ -0.0004066600000000, 0.0000000000000000, -0.0003071100000000 ] - [ -0.0004020600000000, -0.0000543100000000, -0.0001940300000000 ] - [ -0.0003953100000000, 0.0000264100000000, -0.0007365100000000 ] - [ -0.0003931800000000, 0.0000000000000000, -0.0004373200000000 ] - [ -0.0003953100000000, -0.0000264100000000, -0.0007365100000000 ] - [ 0.0005208100000000, 0.0000000000000000, 0.0003764100000000 ] - [ 0.0003161600000000, -0.0000244300000000, 0.0003491500000000 ] - [ 0.0003161600000000, 0.0000244300000000, 0.0003491500000000 ] - [ 0.0003699000000000, 0.0000000000000000, 0.0003552200000000 ] - [ 0.0002497700000000, -0.0000108300000000, 0.0003081500000000 ] - [ 0.0002497700000000, 0.0000108300000000, 0.0003081500000000 ] - [ 0.0003234100000000, 0.0000000000000000, 0.0005260700000000 ] - [ 0.0001169100000000, -0.0001974000000000, 0.0001016100000000 ] - [ 0.0001169100000000, 0.0001974000000000, 0.0001016100000000 ] - [ 0.0000794800000000, 0.0000000000000000, -0.0003667200000000 ] - [ 0.0001221100000000, -0.0000166400000000, -0.0003634100000000 ] - [ 0.0001221100000000, 0.0000166400000000, -0.0003634100000000 ] - [ -0.0001450900000000, 0.0000305500000000, 0.0003566900000000 ] - [ -0.0001782900000000, 0.0000000000000000, 0.0003407000000000 ] - [ -0.0001450900000000, -0.0000305500000000, 0.0003566900000000 ] - [ -0.0002291600000000, 0.0000063800000000, 0.0003398700000000 ] - [ -0.0002430500000000, 0.0000000000000000, 0.0003395000000000 ] - [ -0.0002291600000000, -0.0000063800000000, 0.0003398700000000 ] - [ -0.0001254500000000, 0.0015885000000000, 0.0004581900000000 ] - [ 0.0002719500000000, 0.0000000000000000, -0.0001827200000000 ] - [ -0.0001254500000000, -0.0015885000000000, 0.0004581900000000 ] - [ 0.0001655200000000, -0.0000353000000000, -0.0001361700000000 ] - [ 0.0001309900000000, 0.0000000000000000, -0.0001583800000000 ] - [ 0.0001655200000000, 0.0000353000000000, -0.0001361700000000 ] - [ -0.0005493700000000, -0.0002857400000000, 0.0000092300000000 ] - [ -0.0002234700000000, 0.0000000000000000, 0.0001212700000000 ] - [ -0.0005493700000000, 0.0002857400000000, 0.0000092300000000 ] - [ -0.0001511100000000, -0.0000633300000000, 0.0001895300000000 ] - [ -0.0001227100000000, 0.0000000000000000, 0.0001883500000000 ] - [ -0.0001511100000000, 0.0000633300000000, 0.0001895300000000 ] - [ 0.0020292900000000, 0.0000000000000000, 0.0014439800000000 ] - [ 0.0005009100000000, -0.0001017400000000, -0.0002292200000000 ] - [ 0.0005009100000000, 0.0001017400000000, -0.0002292200000000 ] - [ 0.0005840700000000, 0.0000000000000000, 0.0000469100000000 ] - [ 0.0003829600000000, -0.0000005400000000, 0.0000371200000000 ] - [ 0.0003829600000000, 0.0000005400000000, 0.0000371200000000 ] - [ -0.0005403600000000, 0.0000000000000000, 0.0001891900000000 ] - [ -0.0004180500000000, -0.0000417100000000, 0.0001754500000000 ] - [ -0.0004180500000000, 0.0000417100000000, 0.0001754500000000 ] - [ -0.0002950200000000, 0.0000000000000000, 0.0002063400000000 ] - [ -0.0002408600000000, -0.0000034400000000, 0.0002077700000000 ] - [ -0.0002408600000000, 0.0000034400000000, 0.0002077700000000 ] - [ -0.0002579600000000, -0.0005381300000000, -0.0000178000000000 ] - [ 0.0003155900000000, 0.0000000000000000, 0.0000941500000000 ] - [ -0.0002579600000000, 0.0005381300000000, -0.0000178000000000 ] - [ 0.0002727000000000, -0.0000736200000000, 0.0000621500000000 ] - [ 0.0003734300000000, 0.0000000000000000, 0.0000838200000000 ] - [ 0.0002727000000000, 0.0000736200000000, 0.0000621500000000 ] - [ -0.0000791400000000, 0.0001085400000000, -0.0003622800000000 ] - [ 0.0000878800000000, 0.0000000000000000, -0.0004586600000000 ] - [ -0.0000791400000000, -0.0001085400000000, -0.0003622800000000 ] - [ 0.0005307900000000, -0.0000026500000000, -0.0002158900000000 ] - [ 0.0005006800000000, 0.0000000000000000, -0.0002082000000000 ] - [ 0.0005307900000000, 0.0000026500000000, -0.0002158900000000 ] - [ 0.0007249800000000, -0.0020491300000000, -0.0015490600000000 ] - [ 0.0010160700000000, 0.0000000000000000, 0.0001460800000000 ] - [ 0.0007249800000000, 0.0020491300000000, -0.0015490600000000 ] - [ 0.0008150100000000, 0.0000140500000000, 0.0007912000000000 ] - [ 0.0008208000000000, 0.0000000000000000, 0.0002999400000000 ] - [ 0.0008150100000000, -0.0000140500000000, 0.0007912000000000 ] - [ -0.0000688800000000, 0.0000172400000000, 0.0008655300000000 ] - [ 0.0003212500000000, 0.0000000000000000, 0.0003220400000000 ] - [ -0.0000688800000000, -0.0000172400000000, 0.0008655300000000 ] - [ 0.0005145700000000, -0.0000259600000000, -0.0003046600000000 ] - [ 0.0004211700000000, 0.0000000000000000, -0.0002149100000000 ] - [ 0.0005145700000000, 0.0000259600000000, -0.0003046600000000 ] - [ -0.0006689400000000, 0.0000000000000000, -0.0000941400000000 ] - [ -0.0005739100000000, -0.0000033200000000, -0.0000885500000000 ] - [ -0.0005739100000000, 0.0000033200000000, -0.0000885500000000 ] - [ -0.0009745300000000, 0.0000000000000000, 0.0004180000000000 ] - [ -0.0008598500000000, -0.0000457100000000, 0.0003822300000000 ] - [ -0.0008598500000000, 0.0000457100000000, 0.0003822300000000 ] - [ -0.0019346700000000, 0.0000000000000000, 0.0013642300000000 ] - [ -0.0011679600000000, -0.0006820600000000, -0.0000288100000000 ] - [ -0.0011679600000000, 0.0006820600000000, -0.0000288100000000 ] - [ -0.0005746400000000, 0.0000000000000000, -0.0007657800000000 ] - [ -0.0007154300000000, -0.0002123500000000, -0.0004521700000000 ] - [ -0.0007154300000000, 0.0002123500000000, -0.0004521700000000 ] - [ -0.0014678200000000, 0.0000000000000000, -0.0005170800000000 ] - [ -0.0011486200000000, 0.0003304100000000, -0.0003806100000000 ] - [ -0.0011486200000000, -0.0003304100000000, -0.0003806100000000 ] - [ -0.0005439600000000, 0.0000000000000000, 0.0004286900000000 ] - [ -0.0006029100000000, 0.0000122300000000, 0.0003988100000000 ] - [ -0.0006029100000000, -0.0000122300000000, 0.0003988100000000 ] - [ 0.4041026700000000, 0.0000000000000000, -0.1150611000000000 ] - [ 0.0003382600000000, -0.0007031400000000, -0.0001976700000000 ] - [ 0.0003382600000000, 0.0007031400000000, -0.0001976700000000 ] - [ -0.0000522800000000, 0.0000000000000000, 0.0000439200000000 ] - [ -0.0002291800000000, -0.0001273900000000, 0.0000540900000000 ] - [ -0.0002291800000000, 0.0001273900000000, 0.0000540900000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0086479500000000, 0.0000000000000000, -0.0029885900000000 ] - [ -0.0002204700000000, -0.0011329600000000, 0.0001226000000000 ] - [ -0.0002204700000000, 0.0011329600000000, 0.0001226000000000 ] - [ 0.0000948700000000, 0.0000000000000000, 0.0007976000000000 ] - [ 0.0001384700000000, -0.0002103400000000, 0.0005271400000000 ] - [ 0.0001384700000000, 0.0002103400000000, 0.0005271400000000 ] - [ -0.0026745900000000, 0.0000000000000000, 0.0010767600000000 ] - [ -0.0018699600000000, 0.0012171600000000, 0.0006498500000000 ] - [ -0.0018699600000000, -0.0012171600000000, 0.0006498500000000 ] - [ 0.0003420800000000, 0.0000000000000000, -0.0002384800000000 ] - [ 0.0002323400000000, -0.0000140000000000, -0.0002815500000000 ] - [ 0.0002323400000000, 0.0000140000000000, -0.0002815500000000 ] - [ -0.0011209100000000, 0.0000975600000000, -0.0004142800000000 ] - [ -0.0008326100000000, 0.0000000000000000, -0.0002502400000000 ] - [ -0.0011209100000000, -0.0000975600000000, -0.0004142800000000 ] - [ -0.0007411200000000, 0.0000079800000000, 0.0007069400000000 ] - [ -0.0005569200000000, 0.0000000000000000, 0.0005772100000000 ] - [ -0.0007411200000000, -0.0000079800000000, 0.0007069400000000 ] - [ -0.0012996000000000, -0.0047398000000000, 0.0041424400000000 ] - [ 0.0004179500000000, 0.0000000000000000, -0.0001990700000000 ] - [ -0.0012996000000000, 0.0047398000000000, 0.0041424400000000 ] - [ 0.0003268300000000, -0.0001688100000000, -0.0009503200000000 ] - [ 0.0002799600000000, 0.0000000000000000, -0.0002172400000000 ] - [ 0.0003268300000000, 0.0001688100000000, -0.0009503200000000 ] - [ 0.3863055200000000, 0.0000000000000000, -0.1078337400000000 ] - [ 0.0011464300000000, 0.0001969000000000, -0.0005226400000000 ] - [ 0.0011464300000000, -0.0001969000000000, -0.0005226400000000 ] - [ 0.0004038400000000, 0.0000000000000000, -0.0003078900000000 ] - [ 0.0003834700000000, -0.0000139500000000, -0.0003066400000000 ] - [ 0.0003834700000000, 0.0000139500000000, -0.0003066400000000 ] - [ -0.0004272600000000, -0.0000049700000000, 0.0003885600000000 ] - [ -0.0003687200000000, 0.0000000000000000, 0.0003339100000000 ] - [ -0.0004272600000000, 0.0000049700000000, 0.0003885600000000 ] - [ -0.0002515400000000, -0.0000016200000000, 0.0003028300000000 ] - [ -0.0002376300000000, 0.0000000000000000, 0.0002968600000000 ] - [ -0.0002515400000000, 0.0000016200000000, 0.0003028300000000 ] - [ 0.0018271100000000, -0.0013745600000000, -0.0008100100000000 ] - [ 0.0001898900000000, 0.0000000000000000, -0.0002055400000000 ] - [ 0.0018271100000000, 0.0013745600000000, -0.0008100100000000 ] - [ 0.0000129600000000, 0.0000049200000000, -0.0003147400000000 ] - [ -0.0000586700000000, 0.0000000000000000, -0.0002965400000000 ] - [ 0.0000129600000000, -0.0000049200000000, -0.0003147400000000 ] - [ 0.0001049300000000, 0.0000000000000000, 0.0002909600000000 ] - [ 0.0001308800000000, -0.0000557600000000, 0.0003026800000000 ] - [ 0.0001308800000000, 0.0000557600000000, 0.0003026800000000 ] - [ 0.0002089100000000, 0.0000000000000000, 0.0003650600000000 ] - [ 0.0002200300000000, -0.0000120400000000, 0.0003469300000000 ] - [ 0.0002200300000000, 0.0000120400000000, 0.0003469300000000 ] - [ -0.0001980900000000, -0.0000581500000000, -0.0004896100000000 ] - [ -0.0002331200000000, 0.0000000000000000, -0.0003848500000000 ] - [ -0.0001980900000000, 0.0000581500000000, -0.0004896100000000 ] - [ -0.0001984000000000, -0.0000268700000000, 0.0000685300000000 ] - [ -0.0002298200000000, 0.0000000000000000, -0.0002457800000000 ] - [ -0.0001984000000000, 0.0000268700000000, 0.0000685300000000 ] - [ -0.0002177800000000, 0.0000000000000000, 0.0002077500000000 ] - [ -0.0000240200000000, 0.0000219900000000, 0.0002236600000000 ] - [ -0.0000240200000000, -0.0000219900000000, 0.0002236600000000 ] - [ 0.0000204600000000, 0.0000000000000000, 0.0002571200000000 ] - [ 0.0000734200000000, 0.0000106200000000, 0.0002762700000000 ] - [ 0.0000734200000000, -0.0000106200000000, 0.0002762700000000 ] - [ -0.0000340900000000, 0.0000000000000000, -0.0011119200000000 ] - [ 0.0002193200000000, 0.0001990500000000, -0.0006985100000000 ] - [ 0.0002193200000000, -0.0001990500000000, -0.0006985100000000 ] - [ 0.0002682300000000, 0.0000000000000000, -0.0002229400000000 ] - [ 0.0002068700000000, 0.0000143700000000, -0.0002198000000000 ] - [ 0.0002068700000000, -0.0000143700000000, -0.0002198000000000 ] - [ -0.0004619900000000, -0.0000287800000000, 0.0003272400000000 ] - [ -0.0004376000000000, 0.0000000000000000, 0.0003455300000000 ] - [ -0.0004619900000000, 0.0000287800000000, 0.0003272400000000 ] - [ -0.0003974300000000, -0.0000092500000000, 0.0003468500000000 ] - [ -0.0003748200000000, 0.0000000000000000, 0.0003460500000000 ] - [ -0.0003974300000000, 0.0000092500000000, 0.0003468500000000 ] - [ 0.0002571100000000, -0.0017213400000000, -0.0007916400000000 ] - [ -0.0002494700000000, 0.0000000000000000, -0.0001260100000000 ] - [ 0.0002571100000000, 0.0017213400000000, -0.0007916400000000 ] - [ -0.0001275300000000, 0.0000252300000000, -0.0001908900000000 ] - [ -0.0000891400000000, 0.0000000000000000, -0.0001767200000000 ] - [ -0.0001275300000000, -0.0000252300000000, -0.0001908900000000 ] - [ 0.0006023400000000, 0.0002651800000000, 0.0003358700000000 ] - [ 0.0002686600000000, 0.0000000000000000, 0.0002195500000000 ] - [ 0.0006023400000000, -0.0002651800000000, 0.0003358700000000 ] - [ 0.0002086000000000, 0.0000422100000000, 0.0001043800000000 ] - [ 0.0001743500000000, 0.0000000000000000, 0.0001052000000000 ] - [ 0.0002086000000000, -0.0000422100000000, 0.0001043800000000 ] - [ -0.0020978800000000, 0.0000000000000000, -0.0017828200000000 ] - [ -0.0005585700000000, 0.0001038600000000, -0.0000967200000000 ] - [ -0.0005585700000000, -0.0001038600000000, -0.0000967200000000 ] - [ -0.0006437200000000, 0.0000000000000000, -0.0003642400000000 ] - [ -0.0004404200000000, -0.0000045400000000, -0.0003376600000000 ] - [ -0.0004404200000000, 0.0000045400000000, -0.0003376600000000 ] - [ 0.0005133200000000, 0.0000000000000000, 0.0001175300000000 ] - [ 0.0003888100000000, 0.0000472300000000, 0.0001318600000000 ] - [ 0.0003888100000000, -0.0000472300000000, 0.0001318600000000 ] - [ 0.0002451900000000, 0.0000000000000000, 0.0001034200000000 ] - [ 0.0001957000000000, 0.0000090900000000, 0.0001094600000000 ] - [ 0.0001957000000000, -0.0000090900000000, 0.0001094600000000 ] - [ 0.0010458300000000, 0.0005846400000000, 0.0001466700000000 ] - [ 0.0004095900000000, 0.0000000000000000, 0.0000277900000000 ] - [ 0.0010458300000000, -0.0005846400000000, 0.0001466700000000 ] - [ 0.0004625000000000, 0.0000871100000000, 0.0000354800000000 ] - [ 0.0003794700000000, 0.0000000000000000, 0.0000092900000000 ] - [ 0.0004625000000000, -0.0000871100000000, 0.0000354800000000 ] - [ 0.0013425900000000, -0.0000983600000000, -0.0001125600000000 ] - [ 0.0011143300000000, 0.0000000000000000, 0.0000294300000000 ] - [ 0.0013425900000000, 0.0000983600000000, -0.0001125600000000 ] - [ 0.0007450500000000, 0.0000145300000000, -0.0002925600000000 ] - [ 0.0007251800000000, 0.0000000000000000, -0.0002651500000000 ] - [ 0.0007450500000000, -0.0000145300000000, -0.0002925600000000 ] - [ 0.0004439500000000, 0.0020658400000000, 0.0020173900000000 ] - [ 0.0002660000000000, 0.0000000000000000, 0.0003675900000000 ] - [ 0.0004439500000000, -0.0020658400000000, 0.0020173900000000 ] - [ 0.0004162100000000, 0.0000144100000000, -0.0003383500000000 ] - [ 0.0004416900000000, 0.0000000000000000, 0.0001686300000000 ] - [ 0.0004162100000000, -0.0000144100000000, -0.0003383500000000 ] - [ 0.0008432700000000, 0.0000147400000000, -0.0009821800000000 ] - [ 0.0003881500000000, 0.0000000000000000, -0.0004368900000000 ] - [ 0.0008432700000000, -0.0000147400000000, -0.0009821800000000 ] - [ 0.0002304700000000, 0.0000553900000000, 0.0001930200000000 ] - [ 0.0002453700000000, 0.0000000000000000, 0.0000971400000000 ] - [ 0.0002304700000000, -0.0000553900000000, 0.0001930200000000 ] - [ -0.0001372600000000, 0.0000000000000000, 0.0001753600000000 ] - [ -0.0001710700000000, -0.0000204700000000, 0.0001946100000000 ] - [ -0.0001710700000000, 0.0000204700000000, 0.0001946100000000 ] - [ 0.0002116600000000, 0.0000000000000000, -0.0003157300000000 ] - [ 0.0001377500000000, 0.0000175300000000, -0.0002618500000000 ] - [ 0.0001377500000000, -0.0000175300000000, -0.0002618500000000 ] - [ 0.0007095200000000, 0.0000000000000000, -0.0018724200000000 ] - [ -0.0000961100000000, 0.0006636900000000, -0.0004772500000000 ] - [ -0.0000961100000000, -0.0006636900000000, -0.0004772500000000 ] - [ -0.0005217200000000, 0.0000000000000000, 0.0003824900000000 ] - [ -0.0005178800000000, 0.0001959800000000, -0.0000111900000000 ] - [ -0.0005178800000000, -0.0001959800000000, -0.0000111900000000 ] - [ 0.0001752700000000, 0.0000000000000000, 0.0010472700000000 ] - [ -0.0000704500000000, -0.0003657700000000, 0.0008695400000000 ] - [ -0.0000704500000000, 0.0003657700000000, 0.0008695400000000 ] - [ -0.0006466800000000, 0.0000000000000000, 0.0000252100000000 ] - [ -0.0006368900000000, -0.0000443800000000, 0.0000713900000000 ] - [ -0.0006368900000000, 0.0000443800000000, 0.0000713900000000 ] - [ -0.3765985800000000, 0.0000000000000000, 0.1043324000000000 ] - [ -0.0010582800000000, 0.0006689300000000, 0.0000905500000000 ] - [ -0.0010582800000000, -0.0006689300000000, 0.0000905500000000 ] - [ -0.0005997800000000, 0.0000000000000000, -0.0001926100000000 ] - [ -0.0005582200000000, 0.0000870100000000, -0.0001656500000000 ] - [ -0.0005582200000000, -0.0000870100000000, -0.0001656500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002009900000000, -0.0007198500000000, 0.0001878200000000 ] - [ 0.0012795800000000, 0.0006025600000000, -0.0000009600000000 ] - [ -0.0008429200000000, 0.0006061600000000, 0.0004399000000000 ] - [ 0.0002160500000000, -0.0000763200000000, 0.0002081000000000 ] - [ 0.0002650300000000, 0.0000310100000000, 0.0002601000000000 ] - [ 0.0001719500000000, 0.0000362900000000, 0.0001617200000000 ] - [ 0.0002116800000000, -0.0043754000000000, -0.0002097400000000 ] - [ -0.0019843700000000, 0.0025184700000000, 0.0006854000000000 ] - [ 0.0024013000000000, 0.0025084900000000, -0.0010900500000000 ] - [ 0.0002254500000000, -0.0002100200000000, -0.0002209200000000 ] - [ 0.0001736900000000, 0.0001010600000000, -0.0002695200000000 ] - [ 0.0002570900000000, 0.0001115200000000, -0.0001671500000000 ] - [ -0.0007581300000000, -0.0003400000000000, -0.0002129000000000 ] - [ -0.0002175900000000, 0.0006645200000000, 0.0002038300000000 ] - [ 0.0003168800000000, -0.0003263100000000, 0.0006306400000000 ] - [ -0.0005435600000000, -0.0001920500000000, 0.0006025000000000 ] - [ -0.0002221300000000, 0.0003928700000000, 0.0002175300000000 ] - [ 0.0000919500000000, -0.0001917300000000, -0.0001587900000000 ] - [ 0.0051114700000000, 0.0013409600000000, -0.0040541100000000 ] - [ -0.0002107100000000, 0.0009854500000000, -0.0002221500000000 ] - [ -0.0055193800000000, 0.0014229800000000, 0.0035862200000000 ] - [ -0.0001427400000000, -0.0003209300000000, 0.0006172300000000 ] - [ -0.0002171600000000, 0.0005809200000000, -0.0002102500000000 ] - [ -0.0002936500000000, -0.0003083100000000, -0.0010297500000000 ] - [ 0.0021504200000000, -0.0157675600000000, -0.0008713600000000 ] - [ 0.0005084100000000, 0.0010313500000000, -0.0004464600000000 ] - [ 0.0001266000000000, 0.0010246900000000, -0.0002483800000000 ] - [ 0.0003299800000000, -0.0000140600000000, -0.0003520900000000 ] - [ 0.0002896300000000, 0.0000051100000000, -0.0003061700000000 ] - [ 0.0003204600000000, 0.0000074400000000, -0.0003824500000000 ] - [ -0.0001977500000000, 0.0000004400000000, 0.0003582400000000 ] - [ -0.0001651700000000, 0.0000091000000000, 0.0002911700000000 ] - [ -0.0001068300000000, 0.0000008400000000, 0.0002138300000000 ] - [ -0.0001375100000000, -0.0000059600000000, 0.0002787000000000 ] - [ -0.0001532700000000, 0.0000119900000000, 0.0002850300000000 ] - [ -0.0001456500000000, -0.0000061100000000, 0.0002816300000000 ] - [ 0.0004453100000000, 0.0012913300000000, 0.0018096700000000 ] - [ -0.0001397000000000, 0.0002116200000000, -0.0002790500000000 ] - [ -0.0007538700000000, 0.0012987700000000, -0.0023630000000000 ] - [ -0.0001518600000000, -0.0000509300000000, -0.0002679000000000 ] - [ -0.0001437200000000, 0.0000772300000000, -0.0002824000000000 ] - [ -0.0001599300000000, -0.0000476100000000, -0.0003058600000000 ] - [ 0.0003030700000000, -0.0000324500000000, 0.0003451400000000 ] - [ 0.0002615600000000, 0.0000197200000000, 0.0003080800000000 ] - [ 0.0003602700000000, 0.0000208200000000, 0.0003863300000000 ] - [ 0.0002991800000000, -0.0000016000000000, 0.0003420800000000 ] - [ 0.0002928800000000, 0.0000014200000000, 0.0003614800000000 ] - [ 0.0003223900000000, 0.0000017500000000, 0.0003272600000000 ] - [ -0.0002865400000000, -0.0000872800000000, -0.0005022300000000 ] - [ -0.0003242500000000, 0.0001397600000000, -0.0003505000000000 ] - [ -0.0003294500000000, -0.0000816700000000, -0.0001902300000000 ] - [ -0.0002495000000000, -0.0000850800000000, 0.0001850700000000 ] - [ -0.0003150800000000, 0.0001395300000000, -0.0003461500000000 ] - [ -0.0003623500000000, -0.0000836200000000, -0.0008694300000000 ] - [ 0.0001460900000000, 0.0000925900000000, 0.0002840900000000 ] - [ 0.0001553600000000, -0.0000266300000000, 0.0003127300000000 ] - [ 0.0001331600000000, -0.0000244500000000, 0.0002514000000000 ] - [ 0.0001735000000000, 0.0000258500000000, 0.0002946300000000 ] - [ 0.0001850700000000, -0.0000227600000000, 0.0002840300000000 ] - [ 0.0001211000000000, -0.0000210200000000, 0.0002889400000000 ] - [ 0.0001444100000000, -0.0006728600000000, -0.0002824500000000 ] - [ 0.0001199600000000, 0.0003417500000000, -0.0006340800000000 ] - [ 0.0001877600000000, 0.0003416000000000, 0.0000577600000000 ] - [ 0.0001667100000000, -0.0000851400000000, -0.0002889900000000 ] - [ 0.0000984400000000, 0.0000414100000000, -0.0002077500000000 ] - [ 0.0002087400000000, 0.0000430700000000, -0.0003624500000000 ] - [ -0.0002809300000000, 0.0005113300000000, 0.0005143100000000 ] - [ -0.0003117000000000, -0.0000584500000000, 0.0003462500000000 ] - [ -0.0003361500000000, 0.0005145900000000, 0.0001763000000000 ] - [ -0.0003110100000000, -0.0000171000000000, 0.0003427200000000 ] - [ -0.0003093800000000, 0.0000345100000000, 0.0003455600000000 ] - [ -0.0003195400000000, -0.0000150100000000, 0.0003516300000000 ] - [ 0.0031874600000000, -0.0013629000000000, -0.0012850400000000 ] - [ 0.0000194000000000, -0.0011120900000000, -0.0001473200000000 ] - [ -0.0031027700000000, -0.0013290500000000, 0.0009811200000000 ] - [ 0.0000200200000000, 0.0000570500000000, -0.0001706900000000 ] - [ 0.0000249800000000, -0.0001061500000000, -0.0001611400000000 ] - [ 0.0000328600000000, 0.0000662500000000, -0.0001502700000000 ] - [ -0.0000014200000000, 0.0000237900000000, 0.0001992500000000 ] - [ 0.0000249400000000, -0.0001421600000000, 0.0001656600000000 ] - [ 0.0000605100000000, 0.0000430200000000, 0.0001290800000000 ] - [ 0.0000307100000000, 0.0000105200000000, 0.0001295900000000 ] - [ 0.0000274400000000, -0.0000383200000000, 0.0001467200000000 ] - [ 0.0000316000000000, 0.0000250600000000, 0.0001587900000000 ] - [ -0.0000309700000000, 0.0008310800000000, -0.0001734000000000 ] - [ -0.0001635600000000, -0.0001969900000000, 0.0000776700000000 ] - [ 0.0001108100000000, -0.0001954500000000, -0.0003936300000000 ] - [ -0.0000323100000000, 0.0004811000000000, -0.0001467800000000 ] - [ -0.0001275800000000, -0.0002240000000000, -0.0003827500000000 ] - [ 0.0000645900000000, -0.0002257400000000, 0.0000856500000000 ] - [ -0.0000237100000000, 0.0000313500000000, 0.0001558700000000 ] - [ 0.0001177400000000, 0.0000238200000000, 0.0001310300000000 ] - [ -0.0001705200000000, 0.0000208800000000, 0.0001716300000000 ] - [ -0.0000325300000000, 0.0000644100000000, 0.0001547600000000 ] - [ 0.0000090900000000, -0.0000312300000000, 0.0001120600000000 ] - [ -0.0000628300000000, -0.0000369200000000, 0.0001965400000000 ] - [ 0.0024075100000000, 0.0016609800000000, 0.0001823900000000 ] - [ 0.0003778900000000, -0.0002078600000000, 0.0000559200000000 ] - [ -0.0016278300000000, 0.0016043500000000, -0.0000616600000000 ] - [ 0.0003176400000000, 0.0000306000000000, 0.0000012000000000 ] - [ 0.0003892200000000, -0.0000457200000000, 0.0000497900000000 ] - [ 0.0004447000000000, 0.0000110200000000, 0.0001017900000000 ] - [ 0.0011458500000000, 0.0003555700000000, -0.0003246600000000 ] - [ 0.0006049300000000, -0.0008480100000000, -0.0002284300000000 ] - [ 0.0000908600000000, 0.0003417900000000, -0.0001512400000000 ] - [ 0.0006396400000000, 0.0000378600000000, -0.0002926100000000 ] - [ 0.0006101100000000, -0.0000590000000000, -0.0002375400000000 ] - [ 0.0006073100000000, 0.0000197100000000, -0.0001996900000000 ] - [ -0.0005037500000000, -0.0005654500000000, -0.0010562600000000 ] - [ 0.0006239700000000, -0.0003787800000000, 0.0002428500000000 ] - [ 0.0017082200000000, -0.0006088700000000, 0.0015376700000000 ] - [ 0.0006507800000000, 0.0000368200000000, 0.0001654900000000 ] - [ 0.0006238200000000, -0.0001121500000000, 0.0002363000000000 ] - [ 0.0005657900000000, 0.0000149000000000, 0.0003010500000000 ] - [ 0.0012083100000000, 0.0003477900000000, -0.0012644900000000 ] - [ 0.0003776800000000, -0.0005506100000000, -0.0000486200000000 ] - [ -0.0004120300000000, 0.0003147100000000, 0.0011480400000000 ] - [ 0.0004119800000000, 0.0001147700000000, 0.0001009100000000 ] - [ 0.0003599300000000, -0.0001856500000000, -0.0000558100000000 ] - [ 0.0003654700000000, 0.0000849600000000, -0.0002175200000000 ] - [ -0.0003972900000000, 0.0001511100000000, 0.0000481500000000 ] - [ -0.0003033800000000, -0.0000911300000000, 0.0000594900000000 ] - [ -0.0004737500000000, -0.0000645600000000, 0.0000407700000000 ] - [ -0.0003956600000000, 0.0002308900000000, 0.0000539000000000 ] - [ -0.0000685800000000, -0.0001012000000000, -0.0002399500000000 ] - [ -0.0006997800000000, -0.0000695000000000, 0.0003581400000000 ] - [ -0.0006002600000000, 0.0000463000000000, -0.0002649200000000 ] - [ -0.0006047100000000, -0.0001607600000000, -0.0001725400000000 ] - [ -0.0006403300000000, -0.0001393400000000, -0.0003194400000000 ] - [ -0.0005893200000000, 0.0004314400000000, -0.0002152800000000 ] - [ -0.0007298000000000, -0.0002494400000000, -0.0003928400000000 ] - [ -0.0004898600000000, -0.0002308800000000, -0.0000793500000000 ] - [ -0.0006235600000000, 0.0011541800000000, 0.0002462200000000 ] - [ 0.0001170500000000, -0.0007382500000000, 0.0008654300000000 ] - [ -0.0013349100000000, -0.0007077700000000, -0.0003815800000000 ] - [ -0.0005989600000000, 0.0002674700000000, 0.0002367700000000 ] - [ -0.0005606300000000, -0.0001422800000000, 0.0001291000000000 ] - [ -0.0006594400000000, -0.0001161500000000, 0.0003486900000000 ] - [ -0.0022676700000000, 0.0101599900000000, 0.0005386800000000 ] - [ -0.0011837400000000, -0.0013234700000000, 0.0003665500000000 ] - [ 0.0004219700000000, -0.0012769500000000, -0.0004684700000000 ] - [ -0.0003549800000000, 0.0001859300000000, -0.0000536800000000 ] - [ -0.0004588400000000, -0.0001103100000000, -0.0001762700000000 ] - [ -0.0003355600000000, -0.0000710000000000, 0.0000637900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0060559300000000, 0.0000000000000000, -0.0020781700000000 ] - [ 0.0007038400000000, 0.0002058200000000, -0.0003942800000000 ] - [ 0.0007038400000000, -0.0002058200000000, -0.0003942800000000 ] - [ -0.0003187000000000, 0.0000000000000000, 0.0002899500000000 ] - [ 0.0000524400000000, -0.0000987800000000, 0.0005042300000000 ] - [ 0.0000524400000000, 0.0000987800000000, 0.0005042300000000 ] - [ -0.0010412500000000, 0.0000000000000000, -0.0002997500000000 ] - [ -0.0004215300000000, 0.0003651100000000, 0.0001254000000000 ] - [ -0.0004215300000000, -0.0003651100000000, 0.0001254000000000 ] - [ 0.0009397700000000, 0.0000000000000000, 0.0004963400000000 ] - [ 0.0003601300000000, -0.0002244400000000, -0.0000135600000000 ] - [ 0.0003601300000000, 0.0002244400000000, -0.0000135600000000 ] - [ -0.0001135300000000, -0.0002457700000000, -0.0001893400000000 ] - [ -0.0003489700000000, 0.0000000000000000, -0.0000577300000000 ] - [ -0.0001135300000000, 0.0002457700000000, -0.0001893400000000 ] - [ -0.0003554600000000, 0.0000321000000000, 0.0004627500000000 ] - [ -0.0002628100000000, 0.0000000000000000, 0.0004111100000000 ] - [ -0.0003554600000000, -0.0000321000000000, 0.0004627500000000 ] - [ -0.0050201900000000, -0.0025687200000000, 0.0018330800000000 ] - [ -0.0002783700000000, 0.0000000000000000, -0.0005533100000000 ] - [ -0.0050201900000000, 0.0025687200000000, 0.0018330800000000 ] - [ 0.0002955800000000, 0.0002040100000000, 0.0007030000000000 ] - [ -0.0000849300000000, 0.0000000000000000, 0.0000775800000000 ] - [ 0.0002955800000000, -0.0002040100000000, 0.0007030000000000 ] - [ 0.1130855300000000, 0.0000000000000000, -0.0577722500000000 ] - [ 0.0004722400000000, 0.0000974900000000, -0.0005008600000000 ] - [ 0.0004722400000000, -0.0000974900000000, -0.0005008600000000 ] - [ 0.0002859900000000, 0.0000000000000000, -0.0000240900000000 ] - [ 0.0002330900000000, -0.0000371400000000, -0.0002658900000000 ] - [ 0.0002330900000000, 0.0000371400000000, -0.0002658900000000 ] - [ -0.0002355400000000, 0.0000091800000000, 0.0003253600000000 ] - [ -0.0002365400000000, 0.0000000000000000, 0.0003037500000000 ] - [ -0.0002355400000000, -0.0000091800000000, 0.0003253600000000 ] - [ -0.0001297400000000, -0.0000058500000000, 0.0002929200000000 ] - [ -0.0001781700000000, 0.0000000000000000, 0.0003126900000000 ] - [ -0.0001297400000000, 0.0000058500000000, 0.0002929200000000 ] - [ -0.0000545300000000, 0.0019538300000000, 0.0004298800000000 ] - [ -0.0001142800000000, 0.0000000000000000, -0.0003143600000000 ] - [ -0.0000545300000000, -0.0019538300000000, 0.0004298800000000 ] - [ -0.0002800600000000, -0.0002567800000000, -0.0000268400000000 ] - [ -0.0001565000000000, 0.0000000000000000, -0.0002328900000000 ] - [ -0.0002800600000000, 0.0002567800000000, -0.0000268400000000 ] - [ 0.0002117600000000, 0.0000000000000000, 0.0003073900000000 ] - [ 0.0002442700000000, -0.0000388600000000, 0.0003148400000000 ] - [ 0.0002442700000000, 0.0000388600000000, 0.0003148400000000 ] - [ 0.0002738200000000, 0.0000000000000000, 0.0003391800000000 ] - [ 0.0002769900000000, 0.0000197400000000, 0.0003478700000000 ] - [ 0.0002769900000000, -0.0000197400000000, 0.0003478700000000 ] - [ 0.0001302600000000, -0.0005223400000000, -0.0002618900000000 ] - [ -0.0002121000000000, 0.0000000000000000, -0.0003317100000000 ] - [ 0.0001302600000000, 0.0005223400000000, -0.0002618900000000 ] - [ -0.0004211900000000, 0.0001570200000000, -0.0002641900000000 ] - [ -0.0003342600000000, 0.0000000000000000, -0.0003294400000000 ] - [ -0.0004211900000000, -0.0001570200000000, -0.0002641900000000 ] - [ 0.0003057400000000, 0.0000000000000000, 0.0004827900000000 ] - [ 0.0000885100000000, -0.0000049000000000, 0.0003024400000000 ] - [ 0.0000885100000000, 0.0000049000000000, 0.0003024400000000 ] - [ 0.0002157100000000, 0.0000000000000000, 0.0002616600000000 ] - [ 0.0002220700000000, -0.0000329300000000, 0.0002990600000000 ] - [ 0.0002220700000000, 0.0000329300000000, 0.0002990600000000 ] - [ 0.0011154900000000, 0.0000000000000000, -0.0007289600000000 ] - [ 0.0002677400000000, 0.0000606400000000, -0.0005572700000000 ] - [ 0.0002677400000000, -0.0000606400000000, -0.0005572700000000 ] - [ -0.0000870800000000, 0.0000000000000000, -0.0001022100000000 ] - [ 0.0001412900000000, -0.0000126700000000, -0.0002112700000000 ] - [ 0.0001412900000000, 0.0000126700000000, -0.0002112700000000 ] - [ -0.0002502700000000, 0.0001690500000000, 0.0004432100000000 ] - [ -0.0002826800000000, 0.0000000000000000, 0.0003179000000000 ] - [ -0.0002502700000000, -0.0001690500000000, 0.0004432100000000 ] - [ -0.0003006800000000, -0.0000070400000000, 0.0003231500000000 ] - [ -0.0002892000000000, 0.0000000000000000, 0.0003501600000000 ] - [ -0.0003006800000000, 0.0000070400000000, 0.0003231500000000 ] - [ 0.0006463100000000, -0.0005783100000000, 0.0001413000000000 ] - [ -0.0000056300000000, 0.0000000000000000, -0.0001210000000000 ] - [ 0.0006463100000000, 0.0005783100000000, 0.0001413000000000 ] - [ -0.0000048500000000, 0.0001439100000000, -0.0004933700000000 ] - [ 0.0000604800000000, 0.0000000000000000, -0.0002412800000000 ] - [ -0.0000048500000000, -0.0001439100000000, -0.0004933700000000 ] - [ 0.0001909100000000, 0.0002009600000000, 0.0002199900000000 ] - [ 0.0000117500000000, 0.0000000000000000, 0.0001721500000000 ] - [ 0.0001909100000000, -0.0002009600000000, 0.0002199900000000 ] - [ 0.0000337400000000, -0.0000521700000000, 0.0001550700000000 ] - [ 0.0000888800000000, 0.0000000000000000, 0.0001337300000000 ] - [ 0.0000337400000000, 0.0000521700000000, 0.0001550700000000 ] - [ -0.0007003700000000, 0.0000000000000000, -0.0015840200000000 ] - [ -0.0000517900000000, 0.0002892800000000, -0.0000847500000000 ] - [ -0.0000517900000000, -0.0002892800000000, -0.0000847500000000 ] - [ 0.0000316100000000, 0.0000000000000000, -0.0008846300000000 ] - [ -0.0000355400000000, -0.0000979700000000, -0.0002644500000000 ] - [ -0.0000355400000000, 0.0000979700000000, -0.0002644500000000 ] - [ -0.0000143200000000, 0.0000000000000000, 0.0001533200000000 ] - [ 0.0000466100000000, 0.0000579400000000, 0.0001664800000000 ] - [ 0.0000466100000000, -0.0000579400000000, 0.0001664800000000 ] - [ -0.0000237700000000, 0.0000000000000000, 0.0001326000000000 ] - [ -0.0000380100000000, 0.0000071500000000, 0.0001275300000000 ] - [ -0.0000380100000000, -0.0000071500000000, 0.0001275300000000 ] - [ 0.0012293200000000, 0.0006947300000000, 0.0000064400000000 ] - [ 0.0003699400000000, 0.0000000000000000, 0.0002908000000000 ] - [ 0.0012293200000000, -0.0006947300000000, 0.0000064400000000 ] - [ 0.0003112500000000, -0.0000005000000000, -0.0001080300000000 ] - [ 0.0003551400000000, 0.0000000000000000, -0.0001171100000000 ] - [ 0.0003112500000000, 0.0000005000000000, -0.0001080300000000 ] - [ 0.0008766300000000, 0.0000079900000000, -0.0001232200000000 ] - [ 0.0007069700000000, 0.0000000000000000, -0.0001011800000000 ] - [ 0.0008766300000000, -0.0000079900000000, -0.0001232200000000 ] - [ 0.0005604600000000, 0.0000457500000000, -0.0003975300000000 ] - [ 0.0005763300000000, 0.0000000000000000, -0.0003250200000000 ] - [ 0.0005604600000000, -0.0000457500000000, -0.0003975300000000 ] - [ -0.0005283700000000, -0.0009254100000000, -0.0000621800000000 ] - [ 0.0005411400000000, 0.0000000000000000, 0.0003266700000000 ] - [ -0.0005283700000000, 0.0009254100000000, -0.0000621800000000 ] - [ 0.0011115900000000, 0.0003042600000000, -0.0001398300000000 ] - [ 0.0006922900000000, 0.0000000000000000, 0.0001548700000000 ] - [ 0.0011115900000000, -0.0003042600000000, -0.0001398300000000 ] - [ 0.0005597300000000, -0.0001123600000000, -0.0001140500000000 ] - [ 0.0004209900000000, 0.0000000000000000, -0.0001525700000000 ] - [ 0.0005597300000000, 0.0001123600000000, -0.0001140500000000 ] - [ -0.0001158300000000, 0.0004122200000000, -0.0001361400000000 ] - [ 0.0002228100000000, 0.0000000000000000, -0.0000065200000000 ] - [ -0.0001158300000000, -0.0004122200000000, -0.0001361400000000 ] - [ -0.0005230900000000, 0.0000000000000000, 0.0000763400000000 ] - [ -0.0004256500000000, 0.0000495100000000, 0.0001048400000000 ] - [ -0.0004256500000000, -0.0000495100000000, 0.0001048400000000 ] - [ -0.0002289000000000, 0.0000000000000000, -0.0000613200000000 ] - [ -0.0002122700000000, 0.0000119400000000, -0.0000351700000000 ] - [ -0.0002122700000000, -0.0000119400000000, -0.0000351700000000 ] - [ -0.0017765200000000, 0.0000000000000000, 0.0020117900000000 ] - [ -0.0005913300000000, 0.0002726700000000, -0.0003542500000000 ] - [ -0.0005913300000000, -0.0002726700000000, -0.0003542500000000 ] - [ -0.0011629300000000, 0.0000000000000000, 0.0003507900000000 ] - [ -0.0007969100000000, -0.0001330500000000, -0.0003365300000000 ] - [ -0.0007969100000000, 0.0001330500000000, -0.0003365300000000 ] - [ -0.0009533900000000, 0.0000000000000000, 0.0008360200000000 ] - [ -0.0003051900000000, -0.0001980200000000, 0.0006677600000000 ] - [ -0.0003051900000000, 0.0001980200000000, 0.0006677600000000 ] - [ -0.0004826000000000, 0.0000000000000000, -0.0000236200000000 ] - [ -0.0006364000000000, 0.0000045200000000, 0.0000692200000000 ] - [ -0.0006364000000000, -0.0000045200000000, 0.0000692200000000 ] - [ -0.1097133800000000, 0.0000000000000000, 0.0523079400000000 ] - [ -0.0004894400000000, 0.0000177600000000, 0.0003281100000000 ] - [ -0.0004894400000000, -0.0000177600000000, 0.0003281100000000 ] - [ -0.0004292600000000, 0.0000000000000000, -0.0005958500000000 ] - [ -0.0004047000000000, -0.0000186500000000, -0.0002883100000000 ] - [ -0.0004047000000000, 0.0000186500000000, -0.0002883100000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0056552400000000, 0.0000000000000000, 0.0024109900000000 ] - [ -0.0003052700000000, -0.0002036300000000, 0.0008028700000000 ] - [ -0.0003052700000000, 0.0002036300000000, 0.0008028700000000 ] - [ 0.0007335100000000, 0.0000000000000000, 0.0001009200000000 ] - [ 0.0003621600000000, 0.0001033100000000, -0.0000876500000000 ] - [ 0.0003621600000000, -0.0001033100000000, -0.0000876500000000 ] - [ 0.0014703500000000, 0.0000000000000000, -0.0001309900000000 ] - [ 0.0008462200000000, -0.0003848200000000, -0.0005312200000000 ] - [ 0.0008462200000000, 0.0003848200000000, -0.0005312200000000 ] - [ -0.0005403000000000, 0.0000000000000000, -0.0009414000000000 ] - [ 0.0000425200000000, 0.0002251200000000, -0.0004085100000000 ] - [ 0.0000425200000000, -0.0002251200000000, -0.0004085100000000 ] - [ -0.0002928700000000, 0.0002362600000000, 0.0006234200000000 ] - [ -0.0000470700000000, 0.0000000000000000, 0.0004599800000000 ] - [ -0.0002928700000000, -0.0002362600000000, 0.0006234200000000 ] - [ -0.0000694100000000, -0.0000303200000000, -0.0000441600000000 ] - [ -0.0001545200000000, 0.0000000000000000, -0.0000055100000000 ] - [ -0.0000694100000000, 0.0000303200000000, -0.0000441600000000 ] - [ 0.0046787500000000, 0.0026142600000000, -0.0022039800000000 ] - [ -0.0001196400000000, 0.0000000000000000, 0.0001432800000000 ] - [ 0.0046787500000000, -0.0026142600000000, -0.0022039800000000 ] - [ -0.0007139300000000, -0.0002027700000000, -0.0010970900000000 ] - [ -0.0003265600000000, 0.0000000000000000, -0.0005027500000000 ] - [ -0.0007139300000000, 0.0002027700000000, -0.0010970900000000 ] - [ -0.1121144700000000, 0.0000000000000000, 0.0546337400000000 ] - [ 0.0001441400000000, -0.0001031000000000, -0.0001808300000000 ] - [ 0.0001441400000000, 0.0001031000000000, -0.0001808300000000 ] - [ 0.0003659700000000, 0.0000000000000000, -0.0006710300000000 ] - [ 0.0003511800000000, 0.0000375100000000, -0.0004088500000000 ] - [ 0.0003511800000000, -0.0000375100000000, -0.0004088500000000 ] - [ -0.0000888000000000, -0.0000094200000000, 0.0002587100000000 ] - [ -0.0001307600000000, 0.0000000000000000, 0.0002999200000000 ] - [ -0.0000888000000000, 0.0000094200000000, 0.0002587100000000 ] - [ -0.0001684100000000, 0.0000062400000000, 0.0002830300000000 ] - [ -0.0001503500000000, 0.0000000000000000, 0.0002767100000000 ] - [ -0.0001684100000000, -0.0000062400000000, 0.0002830300000000 ] - [ -0.0003001300000000, -0.0019420200000000, -0.0010407800000000 ] - [ -0.0001973900000000, 0.0000000000000000, -0.0002652600000000 ] - [ -0.0003001300000000, 0.0019420200000000, -0.0010407800000000 ] - [ -0.0000547300000000, 0.0002623200000000, -0.0005661000000000 ] - [ -0.0001422700000000, 0.0000000000000000, -0.0003410500000000 ] - [ -0.0000547300000000, -0.0002623200000000, -0.0005661000000000 ] - [ 0.0003662500000000, 0.0000000000000000, 0.0003653900000000 ] - [ 0.0003591700000000, 0.0000412500000000, 0.0003648100000000 ] - [ 0.0003591700000000, -0.0000412500000000, 0.0003648100000000 ] - [ 0.0002890400000000, 0.0000000000000000, 0.0003305000000000 ] - [ 0.0003126000000000, -0.0000178500000000, 0.0003295700000000 ] - [ 0.0003126000000000, 0.0000178500000000, 0.0003295700000000 ] - [ -0.0007256100000000, 0.0005312400000000, -0.0004137200000000 ] - [ -0.0004207500000000, 0.0000000000000000, -0.0003551200000000 ] - [ -0.0007256100000000, -0.0005312400000000, -0.0004137200000000 ] - [ -0.0001733300000000, -0.0001532800000000, -0.0004152000000000 ] - [ -0.0002817000000000, 0.0000000000000000, -0.0003541700000000 ] - [ -0.0001733300000000, 0.0001532800000000, -0.0004152000000000 ] - [ 0.0000187900000000, 0.0000000000000000, 0.0001124600000000 ] - [ 0.0002224500000000, 0.0000032600000000, 0.0002799200000000 ] - [ 0.0002224500000000, -0.0000032600000000, 0.0002799200000000 ] - [ 0.0001751700000000, 0.0000000000000000, 0.0003510700000000 ] - [ 0.0001109300000000, 0.0000335000000000, 0.0002885100000000 ] - [ 0.0001109300000000, -0.0000335000000000, 0.0002885100000000 ] - [ -0.0008280800000000, 0.0000000000000000, 0.0001691000000000 ] - [ 0.0000765400000000, -0.0000619300000000, -0.0000337000000000 ] - [ 0.0000765400000000, 0.0000619300000000, -0.0000337000000000 ] - [ 0.0004325400000000, 0.0000000000000000, -0.0004905900000000 ] - [ 0.0002005100000000, 0.0000116800000000, -0.0003818000000000 ] - [ 0.0002005100000000, -0.0000116800000000, -0.0003818000000000 ] - [ -0.0003349300000000, -0.0001669800000000, 0.0002335000000000 ] - [ -0.0003170200000000, 0.0000000000000000, 0.0003631100000000 ] - [ -0.0003349300000000, 0.0001669800000000, 0.0002335000000000 ] - [ -0.0003178500000000, 0.0000049600000000, 0.0003613900000000 ] - [ -0.0003138500000000, 0.0000000000000000, 0.0003306800000000 ] - [ -0.0003178500000000, -0.0000049600000000, 0.0003613900000000 ] - [ -0.0005586600000000, 0.0005529700000000, -0.0004355900000000 ] - [ 0.0000751600000000, 0.0000000000000000, -0.0001861500000000 ] - [ -0.0005586600000000, -0.0005529700000000, -0.0004355900000000 ] - [ 0.0000927100000000, -0.0001525600000000, 0.0001707500000000 ] - [ 0.0000266100000000, 0.0000000000000000, -0.0000900900000000 ] - [ 0.0000927100000000, 0.0001525600000000, 0.0001707500000000 ] - [ -0.0001139100000000, -0.0002387500000000, 0.0001040800000000 ] - [ 0.0000824600000000, 0.0000000000000000, 0.0001575100000000 ] - [ -0.0001139100000000, 0.0002387500000000, 0.0001040800000000 ] - [ 0.0000596100000000, 0.0000362800000000, 0.0001546700000000 ] - [ 0.0000013900000000, 0.0000000000000000, 0.0001787500000000 ] - [ 0.0000596100000000, -0.0000362800000000, 0.0001546700000000 ] - [ 0.0006198200000000, 0.0000000000000000, 0.0012556300000000 ] - [ -0.0000345600000000, -0.0002994600000000, -0.0002411500000000 ] - [ -0.0000345600000000, 0.0002994600000000, -0.0002411500000000 ] - [ -0.0001023500000000, 0.0000000000000000, 0.0005647600000000 ] - [ -0.0000487200000000, 0.0001011500000000, -0.0000394200000000 ] - [ -0.0000487200000000, -0.0001011500000000, -0.0000394200000000 ] - [ -0.0000713500000000, 0.0000000000000000, 0.0001658400000000 ] - [ -0.0001321800000000, -0.0000539400000000, 0.0001450400000000 ] - [ -0.0001321800000000, 0.0000539400000000, 0.0001450400000000 ] - [ -0.0000699100000000, 0.0000000000000000, 0.0001819100000000 ] - [ -0.0000421500000000, 0.0000021100000000, 0.0001834000000000 ] - [ -0.0000421500000000, -0.0000021100000000, 0.0001834000000000 ] - [ -0.0004336700000000, -0.0006519200000000, 0.0001177400000000 ] - [ 0.0003689500000000, 0.0000000000000000, -0.0001745400000000 ] - [ -0.0004336700000000, 0.0006519200000000, 0.0001177400000000 ] - [ 0.0004214300000000, 0.0000132700000000, 0.0002122900000000 ] - [ 0.0004116200000000, 0.0000000000000000, 0.0002183800000000 ] - [ 0.0004214300000000, -0.0000132700000000, 0.0002122900000000 ] - [ 0.0003615200000000, 0.0000054700000000, -0.0003728200000000 ] - [ 0.0004574500000000, 0.0000000000000000, -0.0003452600000000 ] - [ 0.0003615200000000, -0.0000054700000000, -0.0003728200000000 ] - [ 0.0007003900000000, -0.0000312300000000, -0.0001029200000000 ] - [ 0.0006486100000000, 0.0000000000000000, -0.0001449200000000 ] - [ 0.0007003900000000, 0.0000312300000000, -0.0001029200000000 ] - [ 0.0017264600000000, 0.0009424600000000, 0.0005473800000000 ] - [ 0.0007099300000000, 0.0000000000000000, 0.0001700600000000 ] - [ 0.0017264600000000, -0.0009424600000000, 0.0005473800000000 ] - [ 0.0000985600000000, -0.0002853700000000, 0.0006225600000000 ] - [ 0.0005738500000000, 0.0000000000000000, 0.0003349900000000 ] - [ 0.0000985600000000, 0.0002853700000000, 0.0006225600000000 ] - [ 0.0002103100000000, 0.0001511200000000, 0.0000121900000000 ] - [ 0.0003083300000000, 0.0000000000000000, 0.0000497500000000 ] - [ 0.0002103100000000, -0.0001511200000000, 0.0000121900000000 ] - [ 0.0009051100000000, -0.0003896800000000, 0.0000263400000000 ] - [ 0.0004598700000000, 0.0000000000000000, -0.0001020400000000 ] - [ 0.0009051100000000, 0.0003896800000000, 0.0000263400000000 ] - [ -0.0002885800000000, 0.0000000000000000, 0.0000180700000000 ] - [ -0.0003432000000000, -0.0000661400000000, 0.0000026400000000 ] - [ -0.0003432000000000, 0.0000661400000000, 0.0000026400000000 ] - [ -0.0005623100000000, 0.0000000000000000, 0.0001707100000000 ] - [ -0.0005350400000000, -0.0000374100000000, 0.0001584300000000 ] - [ -0.0005350400000000, 0.0000374100000000, 0.0001584300000000 ] - [ 0.0005480400000000, 0.0000000000000000, -0.0025232400000000 ] - [ -0.0006672800000000, -0.0003024900000000, -0.0001453800000000 ] - [ -0.0006672800000000, 0.0003024900000000, -0.0001453800000000 ] - [ 0.0000247000000000, 0.0000000000000000, -0.0007868800000000 ] - [ -0.0004335100000000, 0.0001197500000000, -0.0001466500000000 ] - [ -0.0004335100000000, -0.0001197500000000, -0.0001466500000000 ] - [ -0.0003221700000000, 0.0000000000000000, -0.0003373000000000 ] - [ -0.0009078500000000, 0.0001682700000000, -0.0001963900000000 ] - [ -0.0009078500000000, -0.0001682700000000, -0.0001963900000000 ] - [ -0.0007186200000000, 0.0000000000000000, 0.0005118600000000 ] - [ -0.0005837500000000, -0.0000341000000000, 0.0004116300000000 ] - [ -0.0005837500000000, 0.0000341000000000, 0.0004116300000000 ] - [ 0.1084145100000000, 0.0000000000000000, -0.0499306400000000 ] - [ -0.0002376900000000, -0.0000487000000000, -0.0004404500000000 ] - [ -0.0002376900000000, 0.0000487000000000, -0.0004404500000000 ] - [ -0.0002400400000000, 0.0000000000000000, 0.0004738300000000 ] - [ -0.0003996800000000, -0.0000206100000000, 0.0001790000000000 ] - [ -0.0003996800000000, 0.0000206100000000, 0.0001790000000000 ]- atom: 31 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0031124800000000, 0.0030122800000000, 0.0017592700000000 ] - [ 0.0031124800000000, -0.0030122800000000, 0.0017592700000000 ] - [ 0.0005757800000000, 0.0000000000000000, 0.0004915800000000 ] - [ 0.0002592700000000, 0.0001116200000000, -0.0000085900000000 ] - [ 0.0002592700000000, -0.0001116200000000, -0.0000085900000000 ] - [ 0.0002464400000000, 0.0000000000000000, 0.0000767900000000 ] - [ 0.0077073300000000, -0.0068143100000000, 0.0005120100000000 ] - [ 0.0077073300000000, 0.0068143100000000, 0.0005120100000000 ] - [ 0.0002744900000000, 0.0000000000000000, -0.0001196300000000 ] - [ 0.0002377800000000, -0.0001516000000000, -0.0004406400000000 ] - [ 0.0002377800000000, 0.0001516000000000, -0.0004406400000000 ] - [ 0.0002064000000000, 0.0000000000000000, -0.0002448700000000 ] - [ -0.0016011400000000, 0.0000000000000000, -0.0046935300000000 ] - [ -0.0012129800000000, 0.0003785200000000, -0.0002109300000000 ] - [ -0.0012129800000000, -0.0003785200000000, -0.0002109300000000 ] - [ -0.0016677400000000, 0.0000000000000000, 0.0025385800000000 ] - [ -0.0006802200000000, 0.0004972700000000, 0.0009273400000000 ] - [ -0.0006802200000000, -0.0004972700000000, 0.0009273400000000 ] - [ 0.0007439000000000, 0.0000000000000000, 0.0004822800000000 ] - [ 0.0002752400000000, -0.0001460100000000, 0.0000040800000000 ] - [ 0.0002752400000000, 0.0001460100000000, 0.0000040800000000 ] - [ 0.0014270600000000, 0.0000000000000000, -0.0011922700000000 ] - [ 0.0005155000000000, -0.0004692200000000, -0.0005519500000000 ] - [ 0.0005155000000000, 0.0004692200000000, -0.0005519500000000 ] - [ 0.0005696400000000, -0.0000410400000000, -0.0004004700000000 ] - [ 0.0005696400000000, 0.0000410400000000, -0.0004004700000000 ] - [ 0.0005371700000000, 0.0000000000000000, -0.0003798500000000 ] - [ 0.0004106100000000, -0.0000105200000000, -0.0003227400000000 ] - [ 0.0004106100000000, 0.0000105200000000, -0.0003227400000000 ] - [ 0.0003674400000000, 0.0000000000000000, -0.0003407800000000 ] - [ -0.3770860300000000, 0.0000000000000000, 0.1481473000000000 ] - [ -0.0006564000000000, 0.0001258900000000, 0.0003620300000000 ] - [ -0.0006564000000000, -0.0001258900000000, 0.0003620300000000 ] - [ -0.0002338000000000, 0.0000000000000000, 0.0002036800000000 ] - [ -0.0002652900000000, -0.0000125900000000, 0.0002434300000000 ] - [ -0.0002652900000000, 0.0000125900000000, 0.0002434300000000 ] - [ 0.0002114900000000, 0.0000000000000000, -0.0000601600000000 ] - [ 0.0001380400000000, -0.0000008700000000, -0.0001876300000000 ] - [ 0.0001380400000000, 0.0000008700000000, -0.0001876300000000 ] - [ -0.0000432200000000, 0.0000000000000000, -0.0003014900000000 ] - [ -0.0000671600000000, 0.0000039700000000, -0.0003030000000000 ] - [ -0.0000671600000000, -0.0000039700000000, -0.0003030000000000 ] - [ -0.0016549700000000, 0.0006072100000000, 0.0001949600000000 ] - [ -0.0016549700000000, -0.0006072100000000, 0.0001949600000000 ] - [ -0.0000443200000000, 0.0000000000000000, 0.0002892500000000 ] - [ 0.0001240200000000, 0.0000018000000000, 0.0004369200000000 ] - [ 0.0001240200000000, -0.0000018000000000, 0.0004369200000000 ] - [ 0.0002097900000000, 0.0000000000000000, 0.0003451100000000 ] - [ -0.0001734700000000, 0.0000000000000000, -0.0003343400000000 ] - [ -0.0002257500000000, 0.0000278300000000, -0.0003829200000000 ] - [ -0.0002257500000000, -0.0000278300000000, -0.0003829200000000 ] - [ 0.0000733400000000, 0.0000000000000000, -0.0004671500000000 ] - [ -0.0001311300000000, 0.0000167700000000, -0.0002674700000000 ] - [ -0.0001311300000000, -0.0000167700000000, -0.0002674700000000 ] - [ 0.0000496300000000, 0.0000706100000000, 0.0003410900000000 ] - [ 0.0000496300000000, -0.0000706100000000, 0.0003410900000000 ] - [ 0.0000940500000000, 0.0000000000000000, 0.0003091400000000 ] - [ 0.0000998500000000, 0.0005916300000000, -0.0003597800000000 ] - [ 0.0000998500000000, -0.0005916300000000, -0.0003597800000000 ] - [ 0.0000906800000000, 0.0000000000000000, 0.0001797800000000 ] - [ 0.0003774300000000, 0.0001068100000000, -0.0002600600000000 ] - [ 0.0003774300000000, -0.0001068100000000, -0.0002600600000000 ] - [ 0.0002015200000000, 0.0000000000000000, -0.0003356500000000 ] - [ 0.0003262300000000, -0.0000521300000000, -0.0002372300000000 ] - [ 0.0003262300000000, 0.0000521300000000, -0.0002372300000000 ] - [ 0.0002842600000000, 0.0000000000000000, -0.0002869800000000 ] - [ -0.0001035500000000, 0.0000000000000000, 0.0012945000000000 ] - [ -0.0003609400000000, -0.0000436300000000, 0.0004165300000000 ] - [ -0.0003609400000000, 0.0000436300000000, 0.0004165300000000 ] - [ -0.0004362300000000, 0.0000000000000000, 0.0000765200000000 ] - [ -0.0003508300000000, -0.0000497200000000, 0.0002940500000000 ] - [ -0.0003508300000000, 0.0000497200000000, 0.0002940500000000 ] - [ -0.0008391300000000, 0.0000000000000000, -0.0000208500000000 ] - [ -0.0005817600000000, -0.0003412400000000, -0.0000215900000000 ] - [ -0.0005817600000000, 0.0003412400000000, -0.0000215900000000 ] - [ -0.0001583100000000, 0.0000000000000000, -0.0001144400000000 ] - [ -0.0001129500000000, -0.0000164400000000, -0.0001471700000000 ] - [ -0.0001129500000000, 0.0000164400000000, -0.0001471700000000 ] - [ -0.0062816200000000, 0.0000000000000000, 0.0022420500000000 ] - [ 0.0003653100000000, 0.0005052900000000, 0.0001950400000000 ] - [ 0.0003653100000000, -0.0005052900000000, 0.0001950400000000 ] - [ 0.0001665900000000, 0.0000000000000000, 0.0001602400000000 ] - [ 0.0001210300000000, 0.0000184900000000, 0.0001513700000000 ] - [ 0.0001210300000000, -0.0000184900000000, 0.0001513700000000 ] - [ -0.0003894900000000, -0.0000187800000000, -0.0001706400000000 ] - [ -0.0003894900000000, 0.0000187800000000, -0.0001706400000000 ] - [ -0.0002173900000000, 0.0000000000000000, -0.0001487300000000 ] - [ -0.0005371900000000, 0.0000161000000000, -0.0002440800000000 ] - [ -0.0005371900000000, -0.0000161000000000, -0.0002440800000000 ] - [ -0.0003852400000000, 0.0000000000000000, -0.0002141400000000 ] - [ 0.0017701200000000, 0.0003337100000000, 0.0002573600000000 ] - [ 0.0017701200000000, -0.0003337100000000, 0.0002573600000000 ] - [ 0.0003047200000000, 0.0000000000000000, 0.0001019200000000 ] - [ 0.0006287300000000, -0.0002178700000000, 0.0002133600000000 ] - [ 0.0006287300000000, 0.0002178700000000, 0.0002133600000000 ] - [ 0.0002508600000000, 0.0000000000000000, 0.0001480800000000 ] - [ -0.0005967500000000, 0.0000000000000000, -0.0014153200000000 ] - [ 0.0003378400000000, 0.0003112400000000, -0.0002736100000000 ] - [ 0.0003378400000000, -0.0003112400000000, -0.0002736100000000 ] - [ 0.0003261900000000, 0.0000000000000000, 0.0005149500000000 ] - [ 0.0004219800000000, 0.0001415200000000, 0.0002381700000000 ] - [ 0.0004219800000000, -0.0001415200000000, 0.0002381700000000 ] - [ 0.3709211100000000, 0.0000000000000000, -0.1468043700000000 ] - [ 0.0011106000000000, -0.0008412700000000, 0.0000287800000000 ] - [ 0.0011106000000000, 0.0008412700000000, 0.0000287800000000 ] - [ 0.0009412600000000, 0.0000000000000000, -0.0003196000000000 ] - [ 0.0008330100000000, 0.0000258200000000, -0.0002520500000000 ] - [ 0.0008330100000000, -0.0000258200000000, -0.0002520500000000 ] - [ -0.0007865600000000, 0.0000000000000000, 0.0001116700000000 ] - [ 0.0001551300000000, 0.0004317300000000, 0.0003639600000000 ] - [ 0.0001551300000000, -0.0004317300000000, 0.0003639600000000 ] - [ 0.0004763000000000, 0.0000000000000000, 0.0002731300000000 ] - [ 0.0004862000000000, 0.0000416800000000, 0.0002954400000000 ] - [ 0.0004862000000000, -0.0000416800000000, 0.0002954400000000 ] - [ -0.0008304800000000, 0.0000000000000000, -0.0010233200000000 ] - [ 0.0002924300000000, -0.0005485400000000, -0.0005605100000000 ] - [ 0.0002924300000000, 0.0005485400000000, -0.0005605100000000 ] - [ -0.0000472500000000, 0.0000000000000000, 0.0003768500000000 ] - [ 0.0003192900000000, -0.0000965400000000, 0.0001076100000000 ] - [ 0.0003192900000000, 0.0000965400000000, 0.0001076100000000 ] - [ 0.0000674700000000, 0.0006083200000000, 0.0002136600000000 ] - [ 0.0000674700000000, -0.0006083200000000, 0.0002136600000000 ] - [ -0.0002196700000000, 0.0000000000000000, 0.0001269700000000 ] - [ 0.0008559100000000, 0.0022631400000000, -0.0031422200000000 ] - [ 0.0008559100000000, -0.0022631400000000, -0.0031422200000000 ] - [ 0.0000278700000000, 0.0000000000000000, -0.0000335700000000 ] - [ -0.0006860800000000, -0.0001069100000000, -0.0004146800000000 ] - [ -0.0006860800000000, 0.0001069100000000, -0.0004146800000000 ] - [ -0.0006490800000000, 0.0000000000000000, -0.0003121400000000 ] - [ -0.0018161900000000, -0.0012499200000000, 0.0007905300000000 ] - [ -0.0018161900000000, 0.0012499200000000, 0.0007905300000000 ] - [ -0.0007449500000000, 0.0000000000000000, -0.0001135300000000 ] - [ -0.0013444700000000, 0.0012307400000000, 0.0013842200000000 ] - [ -0.0013444700000000, -0.0012307400000000, 0.0013842200000000 ] - [ -0.0006470400000000, 0.0000000000000000, 0.0004643500000000 ] - [ -0.0007510900000000, 0.0001564400000000, -0.0000541600000000 ] - [ -0.0007510900000000, -0.0001564400000000, -0.0000541600000000 ] - [ -0.0007759500000000, 0.0000000000000000, 0.0001048200000000 ] - [ -0.0010759800000000, -0.0000405600000000, -0.0004433700000000 ] - [ -0.0010759800000000, 0.0000405600000000, -0.0004433700000000 ] - [ -0.0006967000000000, 0.0000000000000000, -0.0001804900000000 ] - [ -0.0006337800000000, -0.0000280500000000, 0.0000859200000000 ] - [ -0.0006337800000000, 0.0000280500000000, 0.0000859200000000 ] - [ -0.0005600200000000, 0.0000000000000000, 0.0000783700000000 ]- atom: 31 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0027642200000000, -0.0031018200000000, -0.0013844000000000 ] - [ -0.0027642200000000, 0.0031018200000000, -0.0013844000000000 ] - [ -0.0001934800000000, 0.0000000000000000, -0.0000713800000000 ] - [ 0.0001506100000000, -0.0001128800000000, 0.0004366000000000 ] - [ 0.0001506100000000, 0.0001128800000000, 0.0004366000000000 ] - [ 0.0001679200000000, 0.0000000000000000, 0.0003505900000000 ] - [ -0.0073255700000000, 0.0069126600000000, -0.0010272600000000 ] - [ -0.0073255700000000, -0.0069126600000000, -0.0010272600000000 ] - [ 0.0001317000000000, 0.0000000000000000, -0.0003037200000000 ] - [ 0.0001674900000000, 0.0001668000000000, 0.0000173400000000 ] - [ 0.0001674900000000, -0.0001668000000000, 0.0000173400000000 ] - [ 0.0002063600000000, 0.0000000000000000, -0.0001738000000000 ] - [ 0.0011874000000000, 0.0000000000000000, 0.0053520700000000 ] - [ 0.0008230800000000, -0.0003972600000000, 0.0006464400000000 ] - [ 0.0008230800000000, 0.0003972600000000, 0.0006464400000000 ] - [ 0.0012827800000000, 0.0000000000000000, -0.0021210600000000 ] - [ 0.0002705400000000, -0.0005048500000000, -0.0005116600000000 ] - [ 0.0002705400000000, 0.0005048500000000, -0.0005116600000000 ] - [ -0.0011695500000000, 0.0000000000000000, -0.0009269800000000 ] - [ -0.0006935700000000, 0.0001411100000000, -0.0004384500000000 ] - [ -0.0006935700000000, -0.0001411100000000, -0.0004384500000000 ] - [ -0.0018954100000000, 0.0000000000000000, 0.0008136000000000 ] - [ -0.0009511200000000, 0.0004833400000000, 0.0001442700000000 ] - [ -0.0009511200000000, -0.0004833400000000, 0.0001442700000000 ] - [ 0.0000507400000000, 0.0000458100000000, -0.0002848400000000 ] - [ 0.0000507400000000, -0.0000458100000000, -0.0002848400000000 ] - [ 0.0001151200000000, 0.0000000000000000, -0.0003181500000000 ] - [ 0.0002243000000000, 0.0000117100000000, -0.0003705000000000 ] - [ 0.0002243000000000, -0.0000117100000000, -0.0003705000000000 ] - [ 0.0002444900000000, 0.0000000000000000, -0.0003444500000000 ] - [ 0.3522558800000000, 0.0000000000000000, -0.1344628800000000 ] - [ 0.0003668100000000, -0.0001284500000000, 0.0002056700000000 ] - [ 0.0003668100000000, 0.0001284500000000, 0.0002056700000000 ] - [ 0.0000112100000000, 0.0000000000000000, 0.0003432700000000 ] - [ -0.0000206600000000, 0.0000150000000000, 0.0003267800000000 ] - [ -0.0000206600000000, -0.0000150000000000, 0.0003267800000000 ] - [ -0.0005649900000000, 0.0000000000000000, -0.0005386100000000 ] - [ -0.0004151000000000, 0.0000011500000000, -0.0003749500000000 ] - [ -0.0004151000000000, -0.0000011500000000, -0.0003749500000000 ] - [ -0.0002419500000000, 0.0000000000000000, -0.0002643700000000 ] - [ -0.0002174000000000, -0.0000022700000000, -0.0002612900000000 ] - [ -0.0002174000000000, 0.0000022700000000, -0.0002612900000000 ] - [ 0.0023208100000000, -0.0006157300000000, 0.0004853900000000 ] - [ 0.0023208100000000, 0.0006157300000000, 0.0004853900000000 ] - [ 0.0006701000000000, 0.0000000000000000, 0.0003986400000000 ] - [ 0.0004931600000000, -0.0000033300000000, 0.0002505000000000 ] - [ 0.0004931600000000, 0.0000033300000000, 0.0002505000000000 ] - [ 0.0004194800000000, 0.0000000000000000, 0.0003454200000000 ] - [ -0.0004693400000000, 0.0000000000000000, -0.0003569800000000 ] - [ -0.0004076900000000, -0.0000282200000000, -0.0003051800000000 ] - [ -0.0004076900000000, 0.0000282200000000, -0.0003051800000000 ] - [ -0.0006938800000000, 0.0000000000000000, -0.0002190400000000 ] - [ -0.0005028800000000, -0.0000163000000000, -0.0004217000000000 ] - [ -0.0005028800000000, 0.0000163000000000, -0.0004217000000000 ] - [ 0.0002228600000000, -0.0000710300000000, 0.0002206000000000 ] - [ 0.0002228600000000, 0.0000710300000000, 0.0002206000000000 ] - [ 0.0001905300000000, 0.0000000000000000, 0.0002587800000000 ] - [ 0.0002156200000000, -0.0006079500000000, 0.0009566500000000 ] - [ 0.0002156200000000, 0.0006079500000000, 0.0009566500000000 ] - [ 0.0001887900000000, 0.0000000000000000, 0.0003889000000000 ] - [ -0.0000991000000000, -0.0001058200000000, -0.0003038100000000 ] - [ -0.0000991000000000, 0.0001058200000000, -0.0003038100000000 ] - [ 0.0000682200000000, 0.0000000000000000, -0.0002261000000000 ] - [ -0.0000386500000000, 0.0000547500000000, -0.0003322800000000 ] - [ -0.0000386500000000, -0.0000547500000000, -0.0003322800000000 ] - [ 0.0000155400000000, 0.0000000000000000, -0.0002880900000000 ] - [ -0.0005113800000000, 0.0000000000000000, -0.0006310600000000 ] - [ -0.0002603400000000, 0.0000413600000000, 0.0002696200000000 ] - [ -0.0002603400000000, -0.0000413600000000, 0.0002696200000000 ] - [ -0.0002148500000000, 0.0000000000000000, 0.0006276200000000 ] - [ -0.0002723700000000, 0.0000512500000000, 0.0003955000000000 ] - [ -0.0002723700000000, -0.0000512500000000, 0.0003955000000000 ] - [ 0.0009474600000000, 0.0000000000000000, -0.0002692500000000 ] - [ 0.0006288600000000, 0.0003168100000000, -0.0002844800000000 ] - [ 0.0006288600000000, -0.0003168100000000, -0.0002844800000000 ] - [ 0.0002169000000000, 0.0000000000000000, -0.0002080900000000 ] - [ 0.0001650400000000, 0.0000000800000000, -0.0001814600000000 ] - [ 0.0001650400000000, -0.0000000800000000, -0.0001814600000000 ] - [ 0.0066011400000000, 0.0000000000000000, -0.0020463700000000 ] - [ -0.0003275900000000, -0.0005488300000000, 0.0001406500000000 ] - [ -0.0003275900000000, 0.0005488300000000, 0.0001406500000000 ] - [ -0.0001159600000000, 0.0000000000000000, 0.0001362400000000 ] - [ -0.0000688600000000, -0.0000414600000000, 0.0001468900000000 ] - [ -0.0000688600000000, 0.0000414600000000, 0.0001468900000000 ] - [ 0.0003514500000000, -0.0000030400000000, -0.0001529600000000 ] - [ 0.0003514500000000, 0.0000030400000000, -0.0001529600000000 ] - [ 0.0001617800000000, 0.0000000000000000, -0.0001744500000000 ] - [ 0.0004971900000000, -0.0000285600000000, -0.0000627300000000 ] - [ 0.0004971900000000, 0.0000285600000000, -0.0000627300000000 ] - [ 0.0003289300000000, 0.0000000000000000, -0.0000733800000000 ] - [ -0.0018472100000000, -0.0003609100000000, 0.0000584400000000 ] - [ -0.0018472100000000, 0.0003609100000000, 0.0000584400000000 ] - [ -0.0003667300000000, 0.0000000000000000, 0.0002023800000000 ] - [ -0.0006974700000000, 0.0001926900000000, 0.0000905100000000 ] - [ -0.0006974700000000, -0.0001926900000000, 0.0000905100000000 ] - [ -0.0003132000000000, 0.0000000000000000, 0.0001666400000000 ] - [ 0.0013984400000000, 0.0000000000000000, 0.0015809300000000 ] - [ 0.0004030600000000, -0.0002662700000000, 0.0003989800000000 ] - [ 0.0004030600000000, 0.0002662700000000, 0.0003989800000000 ] - [ 0.0003839700000000, 0.0000000000000000, -0.0004193600000000 ] - [ 0.0003436300000000, -0.0000878800000000, -0.0001519700000000 ] - [ 0.0003436300000000, 0.0000878800000000, -0.0001519700000000 ] - [ -0.3453010600000000, 0.0000000000000000, 0.1333535400000000 ] - [ 0.0001152300000000, 0.0009017400000000, -0.0004989600000000 ] - [ 0.0001152300000000, -0.0009017400000000, -0.0004989600000000 ] - [ 0.0003824800000000, 0.0000000000000000, -0.0002063300000000 ] - [ 0.0004030500000000, 0.0000154700000000, -0.0002347300000000 ] - [ 0.0004030500000000, -0.0000154700000000, -0.0002347300000000 ] - [ 0.0019824800000000, 0.0000000000000000, 0.0003572700000000 ] - [ 0.0011321000000000, -0.0004066200000000, 0.0001312000000000 ] - [ 0.0011321000000000, 0.0004066200000000, 0.0001312000000000 ] - [ 0.0007902700000000, 0.0000000000000000, 0.0002169000000000 ] - [ 0.0007723400000000, 0.0000020500000000, 0.0001781700000000 ] - [ 0.0007723400000000, -0.0000020500000000, 0.0001781700000000 ] - [ 0.0016310300000000, 0.0000000000000000, 0.0009458600000000 ] - [ 0.0004531200000000, 0.0006194000000000, 0.0004824300000000 ] - [ 0.0004531200000000, -0.0006194000000000, 0.0004824300000000 ] - [ 0.0008030900000000, 0.0000000000000000, -0.0005132300000000 ] - [ 0.0004192600000000, 0.0001664100000000, -0.0002203200000000 ] - [ 0.0004192600000000, -0.0001664100000000, -0.0002203200000000 ] - [ -0.0008437400000000, -0.0005575800000000, -0.0001253300000000 ] - [ -0.0008437400000000, 0.0005575800000000, -0.0001253300000000 ] - [ -0.0005409400000000, 0.0000000000000000, -0.0000211000000000 ] - [ -0.0016205500000000, -0.0022009100000000, 0.0032705000000000 ] - [ -0.0016205500000000, 0.0022009100000000, 0.0032705000000000 ] - [ -0.0008177900000000, 0.0000000000000000, 0.0001597000000000 ] - [ -0.0005964900000000, 0.0001540100000000, -0.0000776400000000 ] - [ -0.0005964900000000, -0.0001540100000000, -0.0000776400000000 ] - [ -0.0006065000000000, 0.0000000000000000, -0.0001887700000000 ] - [ 0.0006419900000000, 0.0013191400000000, -0.0012733700000000 ] - [ 0.0006419900000000, -0.0013191400000000, -0.0012733700000000 ] - [ -0.0005220100000000, 0.0000000000000000, -0.0003795800000000 ] - [ 0.0001060300000000, -0.0012192500000000, -0.0009252900000000 ] - [ 0.0001060300000000, 0.0012192500000000, -0.0009252900000000 ] - [ -0.0006217100000000, 0.0000000000000000, 0.0000295400000000 ] - [ -0.0004987600000000, -0.0001124500000000, 0.0005360000000000 ] - [ -0.0004987600000000, 0.0001124500000000, 0.0005360000000000 ] - [ -0.0004546400000000, 0.0000000000000000, 0.0003820400000000 ] - [ 0.0003492900000000, 0.0001033900000000, 0.0003612600000000 ] - [ 0.0003492900000000, -0.0001033900000000, 0.0003612600000000 ] - [ 0.0000027100000000, 0.0000000000000000, 0.0000578900000000 ] - [ -0.0000883500000000, 0.0001014500000000, -0.0002068000000000 ] - [ -0.0000883500000000, -0.0001014500000000, -0.0002068000000000 ] - [ -0.0002307600000000, 0.0000000000000000, -0.0001973000000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006389900000000, -0.0003452900000000, -0.0001763400000000 ] - [ -0.0002038900000000, -0.0003363300000000, 0.0006013300000000 ] - [ 0.0001906100000000, 0.0005977100000000, 0.0002181700000000 ] - [ 0.0003055200000000, -0.0001230400000000, 0.0003165000000000 ] - [ 0.0001050300000000, -0.0001257700000000, 0.0000826600000000 ] - [ 0.0002089800000000, 0.0002547600000000, 0.0002073200000000 ] - [ -0.0081892500000000, 0.0021090000000000, 0.0015587200000000 ] - [ 0.0086606000000000, 0.0020425300000000, -0.0019581700000000 ] - [ 0.0002124500000000, 0.0008701900000000, -0.0002046100000000 ] - [ 0.0000444900000000, -0.0000663500000000, -0.0002295000000000 ] - [ 0.0003644600000000, -0.0001043400000000, -0.0002145100000000 ] - [ 0.0002101300000000, 0.0001687900000000, -0.0002071300000000 ] - [ -0.0002022100000000, -0.0013353200000000, 0.0002334000000000 ] - [ 0.0008459100000000, 0.0007062400000000, -0.0003830900000000 ] - [ -0.0012441200000000, 0.0006996600000000, 0.0007856200000000 ] - [ -0.0002164500000000, -0.0023097700000000, 0.0002192500000000 ] - [ 0.0002169000000000, 0.0011250100000000, 0.0009550200000000 ] - [ -0.0006525300000000, 0.0011359100000000, -0.0005297900000000 ] - [ -0.0002037600000000, -0.0003004700000000, -0.0002126100000000 ] - [ -0.0004334900000000, 0.0001506400000000, -0.0002716700000000 ] - [ 0.0000208300000000, 0.0001574500000000, -0.0001568000000000 ] - [ -0.0002109200000000, -0.0000210000000000, -0.0001819600000000 ] - [ -0.0002490200000000, 0.0000083200000000, -0.0002182500000000 ] - [ -0.0001708200000000, 0.0000112200000000, -0.0001979900000000 ] - [ 0.0003049600000000, 0.0000028600000000, -0.0003309600000000 ] - [ 0.0003004700000000, -0.0000014500000000, -0.0003511300000000 ] - [ 0.0003153000000000, 0.0000090700000000, -0.0003458200000000 ] - [ 0.0003296100000000, -0.0000050200000000, -0.0003563000000000 ] - [ 0.0002910800000000, -0.0000062900000000, -0.0003337700000000 ] - [ 0.0002983400000000, 0.0000114500000000, -0.0003412600000000 ] - [ 0.0016770500000000, -0.0207714000000000, -0.0005162500000000 ] - [ -0.0003056000000000, 0.0007092000000000, 0.0003651000000000 ] - [ -0.0000323100000000, 0.0007006300000000, 0.0002242900000000 ] - [ -0.0001275200000000, -0.0000648800000000, 0.0002778600000000 ] - [ -0.0001471900000000, 0.0000337800000000, 0.0002679800000000 ] - [ -0.0001846400000000, 0.0000324700000000, 0.0003174200000000 ] - [ -0.0001896700000000, -0.0000096900000000, -0.0003029900000000 ] - [ -0.0001522200000000, 0.0000033500000000, -0.0002910000000000 ] - [ -0.0001522200000000, 0.0000031700000000, -0.0002827800000000 ] - [ -0.0001627700000000, 0.0000091300000000, -0.0002926400000000 ] - [ -0.0001533200000000, -0.0000036300000000, -0.0002848200000000 ] - [ -0.0001611300000000, -0.0000049600000000, -0.0002940500000000 ] - [ 0.0016523700000000, 0.0012967000000000, -0.0015973500000000 ] - [ -0.0010626600000000, 0.0012947000000000, 0.0023047500000000 ] - [ 0.0002992500000000, 0.0002105500000000, 0.0003421900000000 ] - [ 0.0002834000000000, -0.0000492300000000, 0.0005983000000000 ] - [ 0.0003028700000000, -0.0000479200000000, 0.0000793300000000 ] - [ 0.0003029500000000, 0.0000761600000000, 0.0003422700000000 ] - [ -0.0003067400000000, 0.0000250700000000, -0.0003435100000000 ] - [ -0.0003287100000000, -0.0000214000000000, -0.0003124400000000 ] - [ -0.0002848800000000, -0.0000215600000000, -0.0003744500000000 ] - [ -0.0002989600000000, 0.0000924300000000, -0.0003405300000000 ] - [ -0.0003284500000000, -0.0000255200000000, -0.0003385700000000 ] - [ -0.0002721600000000, -0.0000253700000000, -0.0003432700000000 ] - [ 0.0007570600000000, -0.0000828900000000, 0.0005645000000000 ] - [ -0.0004566300000000, -0.0000842300000000, 0.0000097800000000 ] - [ 0.0001589500000000, 0.0000820200000000, 0.0002906700000000 ] - [ 0.0002596600000000, -0.0000815800000000, 0.0003742800000000 ] - [ 0.0000949800000000, -0.0000854700000000, 0.0002195600000000 ] - [ 0.0001587400000000, 0.0000820100000000, 0.0002910100000000 ] - [ 0.0002542700000000, 0.0003705500000000, -0.0000816200000000 ] - [ 0.0000702100000000, 0.0003634700000000, -0.0004961000000000 ] - [ 0.0001548600000000, -0.0000405400000000, -0.0002889700000000 ] - [ 0.0001188800000000, 0.0000074900000000, -0.0002814400000000 ] - [ 0.0002124800000000, 0.0000048500000000, -0.0003038400000000 ] - [ 0.0001676800000000, -0.0000306900000000, -0.0002938000000000 ] - [ -0.0002995800000000, -0.0006740800000000, 0.0003455000000000 ] - [ -0.0005012000000000, 0.0003422600000000, 0.0004045000000000 ] - [ -0.0000996600000000, 0.0003424500000000, 0.0002792700000000 ] - [ -0.0003138800000000, -0.0000871700000000, 0.0003442000000000 ] - [ -0.0003205000000000, 0.0000427400000000, 0.0003307300000000 ] - [ -0.0002883700000000, 0.0000438200000000, 0.0003541500000000 ] - [ 0.0000456000000000, 0.0001127300000000, -0.0001362800000000 ] - [ -0.0000644100000000, -0.0001414200000000, -0.0000964400000000 ] - [ 0.0000980200000000, -0.0001126100000000, -0.0001894500000000 ] - [ 0.0000264200000000, 0.0000536400000000, -0.0001505000000000 ] - [ 0.0000090700000000, -0.0000373600000000, -0.0001508800000000 ] - [ 0.0000404600000000, -0.0000198900000000, -0.0001583200000000 ] - [ 0.0000186100000000, 0.0020652200000000, 0.0001529200000000 ] - [ 0.0003663600000000, -0.0002866300000000, 0.0001140900000000 ] - [ -0.0003199900000000, -0.0002589100000000, 0.0001994000000000 ] - [ 0.0000294500000000, 0.0002227000000000, 0.0001428400000000 ] - [ 0.0001243800000000, -0.0001525300000000, 0.0002861000000000 ] - [ -0.0000660600000000, -0.0001264700000000, 0.0000020000000000 ] - [ -0.0000804300000000, -0.0000012300000000, -0.0001467500000000 ] - [ 0.0000355300000000, 0.0000201500000000, -0.0001602200000000 ] - [ -0.0000269900000000, -0.0000268700000000, -0.0001517200000000 ] - [ -0.0000128000000000, 0.0000047000000000, -0.0001524600000000 ] - [ -0.0000379100000000, 0.0000224700000000, -0.0001408100000000 ] - [ -0.0000321100000000, -0.0000208000000000, -0.0001397700000000 ] - [ -0.0005124200000000, -0.0003421000000000, -0.0008362700000000 ] - [ 0.0004605100000000, -0.0003098200000000, 0.0011368700000000 ] - [ -0.0000265400000000, -0.0004588500000000, 0.0001413300000000 ] - [ -0.0002212300000000, 0.0000734500000000, 0.0003173300000000 ] - [ 0.0001692900000000, 0.0001053500000000, -0.0000244200000000 ] - [ -0.0000277800000000, -0.0001609400000000, 0.0001478000000000 ] - [ 0.0003857900000000, 0.0004792200000000, 0.0000627800000000 ] - [ 0.0006923600000000, -0.0002160000000000, 0.0000059300000000 ] - [ 0.0000629800000000, -0.0002671800000000, 0.0001152500000000 ] - [ 0.0003597500000000, 0.0000863300000000, 0.0000593200000000 ] - [ 0.0004477700000000, -0.0000132400000000, 0.0001031500000000 ] - [ 0.0003021900000000, -0.0000681000000000, 0.0000030100000000 ] - [ -0.0012306200000000, 0.0117703200000000, 0.0005048200000000 ] - [ -0.0000526600000000, -0.0011232900000000, -0.0001047200000000 ] - [ 0.0012714500000000, -0.0011529900000000, -0.0003567700000000 ] - [ 0.0006597500000000, 0.0001503900000000, -0.0002569200000000 ] - [ 0.0005704800000000, -0.0000511600000000, -0.0003149300000000 ] - [ 0.0006471900000000, -0.0000919000000000, -0.0001567100000000 ] - [ 0.0005785300000000, 0.0000719000000000, 0.0002312500000000 ] - [ 0.0006665500000000, -0.0000074800000000, 0.0002426400000000 ] - [ 0.0005942200000000, -0.0000462000000000, 0.0002453600000000 ] - [ 0.0006187500000000, 0.0000896500000000, 0.0002383500000000 ] - [ 0.0006605100000000, -0.0000246500000000, 0.0002686400000000 ] - [ 0.0005878900000000, -0.0000667300000000, 0.0001998200000000 ] - [ 0.0003920200000000, 0.0003329600000000, -0.0000558300000000 ] - [ 0.0000210800000000, 0.0002758900000000, 0.0004590300000000 ] - [ 0.0007279700000000, 0.0002211100000000, -0.0005674200000000 ] - [ 0.0003755100000000, -0.0000086100000000, -0.0000681200000000 ] - [ 0.0002238200000000, 0.0000732400000000, -0.0001050900000000 ] - [ 0.0005017400000000, 0.0000067300000000, -0.0000151200000000 ] - [ -0.0000154300000000, 0.0000711400000000, -0.0003601500000000 ] - [ -0.0007685500000000, 0.0000160500000000, 0.0004645800000000 ] - [ -0.0003778500000000, -0.0001970300000000, 0.0000598100000000 ] - [ 0.0004663900000000, -0.0011736700000000, 0.0029045700000000 ] - [ -0.0012120200000000, -0.0011981700000000, -0.0027806000000000 ] - [ -0.0003848300000000, -0.0004901400000000, 0.0000668600000000 ] - [ -0.0010492400000000, 0.0001053900000000, -0.0004080800000000 ] - [ -0.0002092800000000, 0.0000619800000000, -0.0000771200000000 ] - [ -0.0006206000000000, -0.0001443900000000, -0.0002472500000000 ] - [ -0.0004876700000000, 0.0002143200000000, -0.0003184800000000 ] - [ -0.0007064800000000, 0.0001844300000000, -0.0001235500000000 ] - [ -0.0006239300000000, -0.0001553200000000, -0.0002424200000000 ] - [ -0.0014585400000000, 0.0017486900000000, 0.0015680500000000 ] - [ 0.0001981700000000, 0.0017281100000000, -0.0010913000000000 ] - [ -0.0006305200000000, -0.0003026400000000, 0.0002460800000000 ] - [ -0.0004553200000000, 0.0001670700000000, 0.0004716700000000 ] - [ -0.0007775100000000, 0.0001215100000000, -0.0000008900000000 ] - [ -0.0006126000000000, -0.0003162500000000, 0.0002380100000000 ] - [ -0.0003984600000000, 0.0000626700000000, -0.0000411500000000 ] - [ -0.0003445100000000, 0.0000014500000000, -0.0000647600000000 ] - [ -0.0003590000000000, -0.0000896200000000, -0.0000652300000000 ] - [ -0.0003388900000000, 0.0000476400000000, -0.0000810200000000 ] - [ -0.0003847500000000, -0.0000231400000000, -0.0000418700000000 ] - [ -0.0003914500000000, -0.0000214300000000, -0.0000633700000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0010688100000000, -0.0017582000000000, -0.0015642400000000 ] - [ -0.0010688100000000, 0.0017582000000000, -0.0015642400000000 ] - [ 0.0000466400000000, 0.0000000000000000, -0.0004314800000000 ] - [ 0.0003253900000000, -0.0000317800000000, 0.0008208800000000 ] - [ 0.0003253900000000, 0.0000317800000000, 0.0008208800000000 ] - [ 0.0003839100000000, 0.0000000000000000, 0.0006014900000000 ] - [ 0.0021627100000000, 0.0009330700000000, -0.0036540800000000 ] - [ 0.0021627100000000, -0.0009330700000000, -0.0036540800000000 ] - [ 0.0001590900000000, 0.0000000000000000, -0.0007841500000000 ] - [ 0.0001675000000000, 0.0000290700000000, 0.0004436300000000 ] - [ 0.0001675000000000, -0.0000290700000000, 0.0004436300000000 ] - [ 0.0001786700000000, 0.0000000000000000, 0.0002622900000000 ] - [ -0.0067653800000000, 0.0000000000000000, 0.0068786300000000 ] - [ -0.0013593300000000, -0.0006737000000000, 0.0007396600000000 ] - [ -0.0013593300000000, 0.0006737000000000, 0.0007396600000000 ] - [ 0.0015148000000000, 0.0000000000000000, 0.0036380400000000 ] - [ 0.0003295400000000, 0.0009847500000000, 0.0008462700000000 ] - [ 0.0003295400000000, -0.0009847500000000, 0.0008462700000000 ] - [ -0.0001340400000000, 0.0000000000000000, -0.0004103400000000 ] - [ -0.0000267000000000, -0.0000743900000000, -0.0002839000000000 ] - [ -0.0000267000000000, 0.0000743900000000, -0.0002839000000000 ] - [ -0.0009571900000000, 0.0000000000000000, 0.0004061800000000 ] - [ -0.0004859900000000, 0.0002740800000000, 0.0000302000000000 ] - [ -0.0004859900000000, -0.0002740800000000, 0.0000302000000000 ] - [ 0.0001980200000000, 0.0000730400000000, -0.0003118400000000 ] - [ 0.0001980200000000, -0.0000730400000000, -0.0003118400000000 ] - [ 0.0002575700000000, 0.0000000000000000, -0.0003511700000000 ] - [ 0.0002842200000000, 0.0000046100000000, -0.0003406500000000 ] - [ 0.0002842200000000, -0.0000046100000000, -0.0003406500000000 ] - [ 0.0002886000000000, 0.0000000000000000, -0.0003294300000000 ] - [ 0.1397660100000000, 0.0000000000000000, -0.0797918300000000 ] - [ -0.0001008400000000, -0.0000670700000000, -0.0001691400000000 ] - [ -0.0001008400000000, 0.0000670700000000, -0.0001691400000000 ] - [ -0.0002148500000000, 0.0000000000000000, 0.0004399700000000 ] - [ -0.0002169300000000, 0.0000241200000000, 0.0004227200000000 ] - [ -0.0002169300000000, -0.0000241200000000, 0.0004227200000000 ] - [ -0.0004329200000000, 0.0000000000000000, -0.0005537600000000 ] - [ -0.0002593800000000, -0.0000041800000000, -0.0003626400000000 ] - [ -0.0002593800000000, 0.0000041800000000, -0.0003626400000000 ] - [ -0.0001545700000000, 0.0000000000000000, -0.0002536400000000 ] - [ -0.0001489700000000, 0.0000029100000000, -0.0002513100000000 ] - [ -0.0001489700000000, -0.0000029100000000, -0.0002513100000000 ] - [ -0.0002218600000000, -0.0020990500000000, 0.0010807300000000 ] - [ -0.0002218600000000, 0.0020990500000000, 0.0010807300000000 ] - [ 0.0003759000000000, 0.0000000000000000, 0.0003195400000000 ] - [ 0.0002670900000000, -0.0000193000000000, 0.0006146600000000 ] - [ 0.0002670900000000, 0.0000193000000000, 0.0006146600000000 ] - [ 0.0002886700000000, 0.0000000000000000, 0.0003968800000000 ] - [ -0.0003332600000000, 0.0000000000000000, -0.0003970000000000 ] - [ -0.0003089600000000, 0.0000039600000000, -0.0003409100000000 ] - [ -0.0003089600000000, -0.0000039600000000, -0.0003409100000000 ] - [ -0.0003769800000000, 0.0000000000000000, -0.0001656500000000 ] - [ -0.0003589700000000, -0.0000332500000000, -0.0003325600000000 ] - [ -0.0003589700000000, 0.0000332500000000, -0.0003325600000000 ] - [ 0.0008347500000000, -0.0000713700000000, 0.0005832300000000 ] - [ 0.0008347500000000, 0.0000713700000000, 0.0005832300000000 ] - [ 0.0002759000000000, 0.0000000000000000, 0.0003315900000000 ] - [ 0.0001132800000000, -0.0002746400000000, 0.0005875900000000 ] - [ 0.0001132800000000, 0.0002746400000000, 0.0005875900000000 ] - [ 0.0001477600000000, 0.0000000000000000, 0.0003324300000000 ] - [ 0.0001970400000000, 0.0002024100000000, -0.0001438000000000 ] - [ 0.0001970400000000, -0.0002024100000000, -0.0001438000000000 ] - [ 0.0001150100000000, 0.0000000000000000, -0.0002660400000000 ] - [ 0.0002247400000000, 0.0000145400000000, -0.0003251600000000 ] - [ 0.0002247400000000, -0.0000145400000000, -0.0003251600000000 ] - [ 0.0001813800000000, 0.0000000000000000, -0.0003318800000000 ] - [ 0.0005175400000000, 0.0000000000000000, -0.0001044400000000 ] - [ 0.0001087000000000, -0.0003420800000000, 0.0000878900000000 ] - [ 0.0001087000000000, 0.0003420800000000, 0.0000878900000000 ] - [ -0.0003701000000000, 0.0000000000000000, 0.0005445400000000 ] - [ -0.0003663800000000, 0.0000750800000000, 0.0004344300000000 ] - [ -0.0003663800000000, -0.0000750800000000, 0.0004344300000000 ] - [ 0.0009911600000000, 0.0000000000000000, -0.0000370500000000 ] - [ 0.0001581800000000, 0.0000254000000000, -0.0001158900000000 ] - [ 0.0001581800000000, -0.0000254000000000, -0.0001158900000000 ] - [ 0.0000549000000000, 0.0000000000000000, -0.0002584900000000 ] - [ 0.0000351900000000, -0.0000138200000000, -0.0002365400000000 ] - [ 0.0000351900000000, 0.0000138200000000, -0.0002365400000000 ] - [ 0.0045566600000000, 0.0000000000000000, 0.0011253100000000 ] - [ 0.0000927800000000, -0.0003421100000000, 0.0004150800000000 ] - [ 0.0000927800000000, 0.0003421100000000, 0.0004150800000000 ] - [ -0.0000985000000000, 0.0000000000000000, -0.0001657400000000 ] - [ -0.0000872200000000, 0.0000636500000000, -0.0001360400000000 ] - [ -0.0000872200000000, -0.0000636500000000, -0.0001360400000000 ] - [ 0.0000142500000000, -0.0000236300000000, -0.0001733200000000 ] - [ 0.0000142500000000, 0.0000236300000000, -0.0001733200000000 ] - [ -0.0000141900000000, 0.0000000000000000, -0.0001791000000000 ] - [ 0.0000563900000000, 0.0000228800000000, -0.0001260800000000 ] - [ 0.0000563900000000, -0.0000228800000000, -0.0001260800000000 ] - [ 0.0000327600000000, 0.0000000000000000, -0.0001228700000000 ] - [ -0.0007322700000000, -0.0011563700000000, -0.0005974200000000 ] - [ -0.0007322700000000, 0.0011563700000000, -0.0005974200000000 ] - [ -0.0000466300000000, 0.0000000000000000, 0.0001868100000000 ] - [ 0.0000701900000000, 0.0001464200000000, -0.0001714900000000 ] - [ 0.0000701900000000, -0.0001464200000000, -0.0001714900000000 ] - [ 0.0000385900000000, 0.0000000000000000, 0.0000652800000000 ] - [ 0.0003105800000000, 0.0000000000000000, 0.0013562500000000 ] - [ 0.0000010800000000, 0.0001092200000000, 0.0005786200000000 ] - [ 0.0000010800000000, -0.0001092200000000, 0.0005786200000000 ] - [ 0.0004072400000000, 0.0000000000000000, -0.0003858400000000 ] - [ 0.0004013900000000, -0.0000657200000000, -0.0002524800000000 ] - [ 0.0004013900000000, 0.0000657200000000, -0.0002524800000000 ] - [ -0.1373773600000000, 0.0000000000000000, 0.0745051600000000 ] - [ 0.0006976300000000, 0.0004658000000000, 0.0003306000000000 ] - [ 0.0006976300000000, -0.0004658000000000, 0.0003306000000000 ] - [ 0.0005795100000000, 0.0000000000000000, -0.0007725600000000 ] - [ 0.0005302200000000, -0.0000062300000000, -0.0005808400000000 ] - [ 0.0005302200000000, 0.0000062300000000, -0.0005808400000000 ] - [ 0.0013053900000000, 0.0000000000000000, 0.0004949700000000 ] - [ 0.0007963000000000, -0.0002137900000000, 0.0003027200000000 ] - [ 0.0007963000000000, 0.0002137900000000, 0.0003027200000000 ] - [ 0.0005578100000000, 0.0000000000000000, 0.0000694200000000 ] - [ 0.0005829500000000, 0.0000362200000000, 0.0000955700000000 ] - [ 0.0005829500000000, -0.0000362200000000, 0.0000955700000000 ] - [ 0.0001141100000000, 0.0000000000000000, 0.0014475800000000 ] - [ 0.0000979800000000, 0.0002693500000000, 0.0007092800000000 ] - [ 0.0000979800000000, -0.0002693500000000, 0.0007092800000000 ] - [ 0.0007692900000000, 0.0000000000000000, -0.0004699000000000 ] - [ 0.0005142300000000, 0.0000090500000000, -0.0002842100000000 ] - [ 0.0005142300000000, -0.0000090500000000, -0.0002842100000000 ] - [ -0.0000793100000000, 0.0001642600000000, -0.0005486500000000 ] - [ -0.0000793100000000, -0.0001642600000000, -0.0005486500000000 ] - [ -0.0003124900000000, 0.0000000000000000, -0.0002130000000000 ] - [ -0.0016667000000000, 0.0024059600000000, -0.0007761300000000 ] - [ -0.0016667000000000, -0.0024059600000000, -0.0007761300000000 ] - [ -0.0005818500000000, 0.0000000000000000, 0.0003109400000000 ] - [ -0.0011018700000000, 0.0000624900000000, -0.0004079100000000 ] - [ -0.0011018700000000, -0.0000624900000000, -0.0004079100000000 ] - [ -0.0007119100000000, 0.0000000000000000, -0.0002838700000000 ] - [ 0.0001053500000000, 0.0006706900000000, -0.0006888000000000 ] - [ 0.0001053500000000, -0.0006706900000000, -0.0006888000000000 ] - [ -0.0005420900000000, 0.0000000000000000, -0.0002530500000000 ] - [ -0.0007950700000000, 0.0008269100000000, 0.0008003900000000 ] - [ -0.0007950700000000, -0.0008269100000000, 0.0008003900000000 ] - [ -0.0004320900000000, 0.0000000000000000, 0.0003426900000000 ] - [ -0.0009400800000000, 0.0001499200000000, -0.0001202500000000 ] - [ -0.0009400800000000, -0.0001499200000000, -0.0001202500000000 ] - [ -0.0008502200000000, 0.0000000000000000, 0.0001205800000000 ] - [ -0.0001329300000000, -0.0000291500000000, 0.0002692900000000 ] - [ -0.0001329300000000, 0.0000291500000000, 0.0002692900000000 ] - [ -0.0003271700000000, 0.0000000000000000, 0.0000917800000000 ] - [ -0.0003038600000000, 0.0000741400000000, -0.0002580600000000 ] - [ -0.0003038600000000, -0.0000741400000000, -0.0002580600000000 ] - [ -0.0003909700000000, 0.0000000000000000, -0.0002343000000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0014912900000000, 0.0017319400000000, 0.0019812300000000 ] - [ 0.0014912900000000, -0.0017319400000000, 0.0019812300000000 ] - [ 0.0003583700000000, 0.0000000000000000, 0.0008609900000000 ] - [ 0.0000977700000000, 0.0000332200000000, -0.0004248400000000 ] - [ 0.0000977700000000, -0.0000332200000000, -0.0004248400000000 ] - [ 0.0000441500000000, 0.0000000000000000, -0.0002019800000000 ] - [ -0.0018151300000000, -0.0008416900000000, 0.0031911600000000 ] - [ -0.0018151300000000, 0.0008416900000000, 0.0031911600000000 ] - [ 0.0002673300000000, 0.0000000000000000, 0.0003836300000000 ] - [ 0.0002554900000000, -0.0000096700000000, -0.0008742300000000 ] - [ 0.0002554900000000, 0.0000096700000000, -0.0008742300000000 ] - [ 0.0002514700000000, 0.0000000000000000, -0.0006777200000000 ] - [ 0.0064615500000000, 0.0000000000000000, -0.0065614800000000 ] - [ 0.0009541600000000, 0.0006741400000000, -0.0003307900000000 ] - [ 0.0009541600000000, -0.0006741400000000, -0.0003307900000000 ] - [ -0.0019318300000000, 0.0000000000000000, -0.0031820800000000 ] - [ -0.0007656500000000, -0.0009929900000000, -0.0004323600000000 ] - [ -0.0007656500000000, 0.0009929900000000, -0.0004323600000000 ] - [ -0.0002931500000000, 0.0000000000000000, -0.0000098500000000 ] - [ -0.0004018200000000, 0.0000679300000000, -0.0001370700000000 ] - [ -0.0004018200000000, -0.0000679300000000, -0.0001370700000000 ] - [ 0.0005240200000000, 0.0000000000000000, -0.0007834500000000 ] - [ 0.0000585500000000, -0.0002767400000000, -0.0004367900000000 ] - [ 0.0000585500000000, 0.0002767400000000, -0.0004367900000000 ] - [ 0.0004273700000000, -0.0000699400000000, -0.0003767600000000 ] - [ 0.0004273700000000, 0.0000699400000000, -0.0003767600000000 ] - [ 0.0003722300000000, 0.0000000000000000, -0.0003403300000000 ] - [ 0.0003459700000000, -0.0000040700000000, -0.0003512900000000 ] - [ 0.0003459700000000, 0.0000040700000000, -0.0003512900000000 ] - [ 0.0003399000000000, 0.0000000000000000, -0.0003619000000000 ] - [ -0.1424007600000000, 0.0000000000000000, 0.0782963200000000 ] - [ -0.0002037800000000, 0.0000651600000000, 0.0007447900000000 ] - [ -0.0002037800000000, -0.0000651600000000, 0.0007447900000000 ] - [ -0.0000728700000000, 0.0000000000000000, 0.0001283700000000 ] - [ -0.0000883400000000, -0.0000224500000000, 0.0001514500000000 ] - [ -0.0000883400000000, 0.0000224500000000, 0.0001514500000000 ] - [ 0.0001187000000000, 0.0000000000000000, -0.0000268700000000 ] - [ -0.0000432100000000, 0.0000050400000000, -0.0002102600000000 ] - [ -0.0000432100000000, -0.0000050400000000, -0.0002102600000000 ] - [ -0.0001495000000000, 0.0000000000000000, -0.0003219200000000 ] - [ -0.0001547900000000, -0.0000015900000000, -0.0003222200000000 ] - [ -0.0001547900000000, 0.0000015900000000, -0.0003222200000000 ] - [ 0.0008516400000000, 0.0020838100000000, -0.0003993700000000 ] - [ 0.0008516400000000, -0.0020838100000000, -0.0003993700000000 ] - [ 0.0002523500000000, 0.0000000000000000, 0.0003717200000000 ] - [ 0.0003579900000000, 0.0000189700000000, 0.0000736900000000 ] - [ 0.0003579900000000, -0.0000189700000000, 0.0000736900000000 ] - [ 0.0003412600000000, 0.0000000000000000, 0.0002938300000000 ] - [ -0.0002967800000000, 0.0000000000000000, -0.0002915000000000 ] - [ -0.0003178800000000, -0.0000042000000000, -0.0003489600000000 ] - [ -0.0003178800000000, 0.0000042000000000, -0.0003489600000000 ] - [ -0.0002515300000000, 0.0000000000000000, -0.0005305200000000 ] - [ -0.0002689200000000, 0.0000328400000000, -0.0003578000000000 ] - [ -0.0002689200000000, -0.0000328400000000, -0.0003578000000000 ] - [ -0.0005334100000000, 0.0000730700000000, -0.0000114600000000 ] - [ -0.0005334100000000, -0.0000730700000000, -0.0000114600000000 ] - [ 0.0000272200000000, 0.0000000000000000, 0.0002422800000000 ] - [ 0.0001961600000000, 0.0002747200000000, -0.0000106600000000 ] - [ 0.0001961600000000, -0.0002747200000000, -0.0000106600000000 ] - [ 0.0001556800000000, 0.0000000000000000, 0.0002421200000000 ] - [ 0.0001087300000000, -0.0002001100000000, -0.0004295300000000 ] - [ 0.0001087300000000, 0.0002001100000000, -0.0004295300000000 ] - [ 0.0001858000000000, 0.0000000000000000, -0.0003069500000000 ] - [ 0.0000825600000000, -0.0000128200000000, -0.0002494700000000 ] - [ 0.0000825600000000, 0.0000128200000000, -0.0002494700000000 ] - [ 0.0001246900000000, 0.0000000000000000, -0.0002436300000000 ] - [ -0.0011478800000000, 0.0000000000000000, 0.0007979300000000 ] - [ -0.0007361400000000, 0.0003443800000000, 0.0006041700000000 ] - [ -0.0007361400000000, -0.0003443800000000, 0.0006041700000000 ] - [ -0.0002653500000000, 0.0000000000000000, 0.0001485900000000 ] - [ -0.0002628800000000, -0.0000752400000000, 0.0002567500000000 ] - [ -0.0002628800000000, 0.0000752400000000, 0.0002567500000000 ] - [ -0.0008905000000000, 0.0000000000000000, -0.0002505800000000 ] - [ -0.0001030400000000, -0.0000481500000000, -0.0001841000000000 ] - [ -0.0001030400000000, 0.0000481500000000, -0.0001841000000000 ] - [ 0.0000097800000000, 0.0000000000000000, -0.0000530100000000 ] - [ 0.0000254200000000, -0.0000071500000000, -0.0000831200000000 ] - [ 0.0000254200000000, 0.0000071500000000, -0.0000831200000000 ] - [ -0.0044267000000000, 0.0000000000000000, -0.0007850500000000 ] - [ -0.0000409400000000, 0.0003162900000000, -0.0000871500000000 ] - [ -0.0000409400000000, -0.0003162900000000, -0.0000871500000000 ] - [ 0.0001701200000000, 0.0000000000000000, 0.0004577000000000 ] - [ 0.0001548200000000, -0.0000894100000000, 0.0004316700000000 ] - [ 0.0001548200000000, 0.0000894100000000, 0.0004316700000000 ] - [ -0.0000693100000000, 0.0000012600000000, -0.0001476900000000 ] - [ -0.0000693100000000, -0.0000012600000000, -0.0001476900000000 ] - [ -0.0000527600000000, 0.0000000000000000, -0.0001386000000000 ] - [ -0.0001184400000000, -0.0000387500000000, -0.0001758000000000 ] - [ -0.0001184400000000, 0.0000387500000000, -0.0001758000000000 ] - [ -0.0001078500000000, 0.0000000000000000, -0.0001649900000000 ] - [ 0.0006728500000000, 0.0011482500000000, 0.0009028000000000 ] - [ 0.0006728500000000, -0.0011482500000000, 0.0009028000000000 ] - [ -0.0000221000000000, 0.0000000000000000, 0.0001070000000000 ] - [ -0.0001373600000000, -0.0001732600000000, 0.0004790200000000 ] - [ -0.0001373600000000, 0.0001732600000000, 0.0004790200000000 ] - [ -0.0001105200000000, 0.0000000000000000, 0.0002430400000000 ] - [ 0.0004688700000000, 0.0000000000000000, -0.0012259300000000 ] - [ 0.0007640200000000, -0.0000581100000000, -0.0004674500000000 ] - [ 0.0007640200000000, 0.0000581100000000, -0.0004674500000000 ] - [ 0.0003254200000000, 0.0000000000000000, 0.0005019900000000 ] - [ 0.0003642300000000, 0.0001207500000000, 0.0003489500000000 ] - [ 0.0003642300000000, -0.0001207500000000, 0.0003489500000000 ] - [ 0.1409178600000000, 0.0000000000000000, -0.0727450000000000 ] - [ 0.0004925800000000, -0.0004152700000000, -0.0007746200000000 ] - [ 0.0004925800000000, 0.0004152700000000, -0.0007746200000000 ] - [ 0.0006999000000000, 0.0000000000000000, 0.0002721000000000 ] - [ 0.0006580100000000, 0.0000460700000000, 0.0001288100000000 ] - [ 0.0006580100000000, -0.0000460700000000, 0.0001288100000000 ] - [ -0.0001576300000000, 0.0000000000000000, -0.0000557200000000 ] - [ 0.0004403800000000, 0.0002497000000000, 0.0001709200000000 ] - [ 0.0004403800000000, -0.0002497000000000, 0.0001709200000000 ] - [ 0.0006439100000000, 0.0000000000000000, 0.0003846600000000 ] - [ 0.0006315400000000, 0.0000054500000000, 0.0003545000000000 ] - [ 0.0006315400000000, -0.0000054500000000, 0.0003545000000000 ] - [ 0.0006471600000000, 0.0000000000000000, -0.0015639300000000 ] - [ 0.0006606200000000, -0.0002069300000000, -0.0007990700000000 ] - [ 0.0006606200000000, 0.0002069300000000, -0.0007990700000000 ] - [ -0.0000157300000000, 0.0000000000000000, 0.0003424700000000 ] - [ 0.0002379500000000, 0.0000556200000000, 0.0001684300000000 ] - [ 0.0002379500000000, -0.0000556200000000, 0.0001684300000000 ] - [ -0.0007069700000000, -0.0001017400000000, 0.0006427700000000 ] - [ -0.0007069700000000, 0.0001017400000000, 0.0006427700000000 ] - [ -0.0004665000000000, 0.0000000000000000, 0.0003179500000000 ] - [ 0.0008914300000000, -0.0023572600000000, 0.0009347900000000 ] - [ 0.0008914300000000, 0.0023572600000000, 0.0009347900000000 ] - [ -0.0002034400000000, 0.0000000000000000, -0.0001852500000000 ] - [ -0.0001222900000000, -0.0000186700000000, -0.0000601200000000 ] - [ -0.0001222900000000, 0.0000186700000000, -0.0000601200000000 ] - [ -0.0004935400000000, 0.0000000000000000, -0.0001906800000000 ] - [ -0.0012701100000000, -0.0006347500000000, 0.0002574700000000 ] - [ -0.0012701100000000, 0.0006347500000000, 0.0002574700000000 ] - [ -0.0006704800000000, 0.0000000000000000, -0.0002131600000000 ] - [ -0.0004142600000000, -0.0008136500000000, -0.0003728300000000 ] - [ -0.0004142600000000, 0.0008136500000000, -0.0003728300000000 ] - [ -0.0007934800000000, 0.0000000000000000, 0.0001261800000000 ] - [ -0.0002576000000000, -0.0001011800000000, 0.0005736600000000 ] - [ -0.0002576000000000, 0.0001011800000000, 0.0005736600000000 ] - [ -0.0003401100000000, 0.0000000000000000, 0.0003402800000000 ] - [ -0.0006219900000000, 0.0000915400000000, -0.0003653500000000 ] - [ -0.0006219900000000, -0.0000915400000000, -0.0003653500000000 ] - [ -0.0004147900000000, 0.0000000000000000, -0.0002150000000000 ] - [ -0.0004388900000000, -0.0000064500000000, 0.0001487700000000 ] - [ -0.0004388900000000, 0.0000064500000000, 0.0001487700000000 ] - [ -0.0003886900000000, 0.0000000000000000, 0.0001185900000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0037876300000000, 0.0023331200000000, -0.0008668000000000 ] - [ -0.0037876300000000, -0.0023331200000000, -0.0008668000000000 ] - [ -0.0006752000000000, 0.0000000000000000, -0.0001864300000000 ] - [ -0.0005525500000000, 0.0001396000000000, 0.0005698800000000 ] - [ -0.0005525500000000, -0.0001396000000000, 0.0005698800000000 ] - [ -0.0003469500000000, 0.0000000000000000, 0.0004877200000000 ] - [ 0.0077413800000000, -0.0009192500000000, -0.0016780100000000 ] - [ 0.0077413800000000, 0.0009192500000000, -0.0016780100000000 ] - [ 0.0019700000000000, 0.0000000000000000, -0.0003371600000000 ] - [ 0.0010549900000000, -0.0001320800000000, -0.0002217500000000 ] - [ 0.0010549900000000, 0.0001320800000000, -0.0002217500000000 ] - [ 0.0008469000000000, 0.0000000000000000, -0.0002838800000000 ] - [ -0.0022217200000000, 0.0000000000000000, -0.0029610700000000 ] - [ -0.0009151600000000, 0.0012650500000000, -0.0011016600000000 ] - [ -0.0009151600000000, -0.0012650500000000, -0.0011016600000000 ] - [ -0.0019381400000000, 0.0000000000000000, 0.0028924400000000 ] - [ -0.0005903400000000, 0.0007539900000000, 0.0012854700000000 ] - [ -0.0005903400000000, -0.0007539900000000, 0.0012854700000000 ] - [ -0.0041376000000000, 0.0000000000000000, 0.0047257300000000 ] - [ -0.0006059900000000, -0.0019546000000000, 0.0013125800000000 ] - [ -0.0006059900000000, 0.0019546000000000, 0.0013125800000000 ] - [ -0.0003066900000000, 0.0000000000000000, -0.0030262800000000 ] - [ -0.0002855400000000, -0.0005953700000000, -0.0006356000000000 ] - [ -0.0002855400000000, 0.0005953700000000, -0.0006356000000000 ] - [ 0.0001093100000000, 0.0031311200000000, 0.0002530900000000 ] - [ 0.0001093100000000, -0.0031311200000000, 0.0002530900000000 ] - [ 0.0005654200000000, 0.0000000000000000, -0.0003904400000000 ] - [ 0.0004362100000000, -0.0000070100000000, -0.0003968700000000 ] - [ 0.0004362100000000, 0.0000070100000000, -0.0003968700000000 ] - [ 0.0003912800000000, 0.0000000000000000, -0.0003318000000000 ] - [ -0.0010604700000000, 0.0000000000000000, 0.0012269200000000 ] - [ -0.0007621500000000, 0.0000808100000000, 0.0004221600000000 ] - [ -0.0007621500000000, -0.0000808100000000, 0.0004221600000000 ] - [ -0.0003236200000000, 0.0000000000000000, 0.0003036700000000 ] - [ -0.0003019300000000, 0.0000177700000000, 0.0002953200000000 ] - [ -0.0003019300000000, -0.0000177700000000, 0.0002953200000000 ] - [ -0.0066320700000000, 0.0000000000000000, -0.0048043200000000 ] - [ 0.0001974500000000, -0.0003412500000000, -0.0003533400000000 ] - [ 0.0001974500000000, 0.0003412500000000, -0.0003533400000000 ] - [ -0.0000146600000000, 0.0000000000000000, -0.0001570300000000 ] - [ -0.0000620600000000, -0.0000968600000000, -0.0001692700000000 ] - [ -0.0000620600000000, 0.0000968600000000, -0.0001692700000000 ] - [ -0.0002923700000000, -0.0000333900000000, 0.0001915800000000 ] - [ -0.0002923700000000, 0.0000333900000000, 0.0001915800000000 ] - [ 0.0000304700000000, 0.0000000000000000, 0.0003832000000000 ] - [ 0.0001001000000000, 0.0000001400000000, 0.0003583100000000 ] - [ 0.0001001000000000, -0.0000001400000000, 0.0003583100000000 ] - [ 0.0001364500000000, 0.0000000000000000, 0.0003033900000000 ] - [ 0.0003223700000000, 0.0000000000000000, -0.0004156000000000 ] - [ 0.0001266700000000, -0.0000985300000000, -0.0003522300000000 ] - [ 0.0001266700000000, 0.0000985300000000, -0.0003522300000000 ] - [ 0.0017852100000000, 0.0000000000000000, 0.0003275800000000 ] - [ 0.0002450400000000, -0.0001389200000000, -0.0003378200000000 ] - [ 0.0002450400000000, 0.0001389200000000, -0.0003378200000000 ] - [ -0.0003660800000000, 0.0000145500000000, 0.0002003000000000 ] - [ -0.0003660800000000, -0.0000145500000000, 0.0002003000000000 ] - [ -0.0002028800000000, 0.0000000000000000, 0.0002181900000000 ] - [ -0.0002000700000000, -0.0000569100000000, 0.0002533500000000 ] - [ -0.0002000700000000, 0.0000569100000000, 0.0002533500000000 ] - [ -0.0000299200000000, 0.0000000000000000, 0.0002722900000000 ] - [ 0.0019651000000000, -0.0004928300000000, -0.0010047600000000 ] - [ 0.0019651000000000, 0.0004928300000000, -0.0010047600000000 ] - [ 0.0004887800000000, 0.0000000000000000, -0.0003026300000000 ] - [ 0.0008263400000000, -0.0001908000000000, -0.0001862900000000 ] - [ 0.0008263400000000, 0.0001908000000000, -0.0001862900000000 ] - [ 0.0004463500000000, 0.0000000000000000, -0.0002187200000000 ] - [ -0.0008073600000000, 0.0000000000000000, 0.0003776800000000 ] - [ -0.0006867600000000, 0.0001425900000000, 0.0004344500000000 ] - [ -0.0006867600000000, -0.0001425900000000, 0.0004344500000000 ] - [ -0.0005596400000000, 0.0000000000000000, 0.0003685600000000 ] - [ -0.0005075400000000, 0.0000320800000000, 0.0003482600000000 ] - [ -0.0005075400000000, -0.0000320800000000, 0.0003482600000000 ] - [ -0.0483061200000000, 0.0000000000000000, 0.0111238900000000 ] - [ -0.0021333700000000, 0.0004761700000000, 0.0003115400000000 ] - [ -0.0021333700000000, -0.0004761700000000, 0.0003115400000000 ] - [ -0.0004741200000000, 0.0000000000000000, -0.0001800800000000 ] - [ -0.0003941200000000, 0.0000708100000000, -0.0001678600000000 ] - [ -0.0003941200000000, -0.0000708100000000, -0.0001678600000000 ] - [ 0.0017428700000000, 0.0000000000000000, 0.0002910700000000 ] - [ 0.0009195500000000, 0.0000844200000000, 0.0003143900000000 ] - [ 0.0009195500000000, -0.0000844200000000, 0.0003143900000000 ] - [ 0.0005201600000000, 0.0000000000000000, 0.0001842200000000 ] - [ 0.0004617100000000, -0.0000071400000000, 0.0001821900000000 ] - [ 0.0004617100000000, 0.0000071400000000, 0.0001821900000000 ] - [ -0.0008629500000000, -0.0009728800000000, -0.0016827000000000 ] - [ -0.0008629500000000, 0.0009728800000000, -0.0016827000000000 ] - [ -0.0005228700000000, 0.0000000000000000, -0.0002021600000000 ] - [ -0.0008627000000000, -0.0007737500000000, 0.0009903200000000 ] - [ -0.0008627000000000, 0.0007737500000000, 0.0009903200000000 ] - [ -0.0005225200000000, 0.0000000000000000, -0.0002129200000000 ] - [ 0.0008618400000000, 0.0001029100000000, 0.0002367400000000 ] - [ 0.0008618400000000, -0.0001029100000000, 0.0002367400000000 ] - [ 0.0007885600000000, 0.0000000000000000, 0.0001711400000000 ] - [ 0.0006247700000000, 0.0001526900000000, -0.0001102200000000 ] - [ 0.0006247700000000, -0.0001526900000000, -0.0001102200000000 ] - [ 0.0002903600000000, 0.0000000000000000, 0.0000860200000000 ] - [ 0.0019902800000000, 0.0000000000000000, -0.0000388900000000 ] - [ 0.0015426600000000, 0.0007210200000000, -0.0000245600000000 ] - [ 0.0015426600000000, -0.0007210200000000, -0.0000245600000000 ] - [ 0.0009491900000000, 0.0000000000000000, 0.0002373000000000 ] - [ 0.0007489600000000, 0.0000900500000000, 0.0001109100000000 ] - [ 0.0007489600000000, -0.0000900500000000, 0.0001109100000000 ] - [ 0.0068502500000000, 0.0000000000000000, -0.0005459400000000 ] - [ 0.0017244200000000, -0.0023334900000000, 0.0010525500000000 ] - [ 0.0017244200000000, 0.0023334900000000, 0.0010525500000000 ] - [ 0.0006022400000000, 0.0000000000000000, -0.0006007100000000 ] - [ 0.0006466400000000, -0.0000502800000000, -0.0003659900000000 ] - [ 0.0006466400000000, 0.0000502800000000, -0.0003659900000000 ] - [ 0.0106499300000000, 0.0000000000000000, 0.0056375500000000 ] - [ 0.0005371200000000, 0.0007225100000000, 0.0006858700000000 ] - [ 0.0005371200000000, -0.0007225100000000, 0.0006858700000000 ] - [ 0.0007612300000000, 0.0000000000000000, -0.0003468000000000 ] - [ 0.0007360300000000, 0.0001770500000000, -0.0001697300000000 ] - [ 0.0007360300000000, -0.0001770500000000, -0.0001697300000000 ] - [ 0.0065378500000000, 0.0000000000000000, -0.0144330000000000 ] - [ -0.0005061900000000, -0.0011190800000000, -0.0008937000000000 ] - [ -0.0005061900000000, 0.0011190800000000, -0.0008937000000000 ] - [ -0.0003559700000000, 0.0000000000000000, 0.0006849400000000 ] - [ -0.0002292800000000, -0.0001207200000000, 0.0003883200000000 ] - [ -0.0002292800000000, 0.0001207200000000, 0.0003883200000000 ] - [ -0.0000742600000000, 0.0001817000000000, 0.0005560700000000 ] - [ -0.0000742600000000, -0.0001817000000000, 0.0005560700000000 ] - [ -0.0003435800000000, 0.0000000000000000, 0.0005163500000000 ] - [ 0.0015141400000000, 0.0000410600000000, -0.0019883900000000 ] - [ 0.0015141400000000, -0.0000410600000000, -0.0019883900000000 ] - [ -0.0001058400000000, 0.0000000000000000, -0.0001895500000000 ] - [ 0.0003013800000000, -0.0003147000000000, -0.0009345800000000 ] - [ 0.0003013800000000, 0.0003147000000000, -0.0009345800000000 ] - [ 0.0000700000000000, 0.0000000000000000, -0.0005046300000000 ] - [ 0.0000441000000000, -0.0006039400000000, 0.0004278800000000 ] - [ 0.0000441000000000, 0.0006039400000000, 0.0004278800000000 ] - [ -0.0002711900000000, 0.0000000000000000, -0.0001432400000000 ] - [ 0.0034439200000000, 0.0057689100000000, 0.0055827100000000 ] - [ 0.0034439200000000, -0.0057689100000000, 0.0055827100000000 ] - [ -0.0013010400000000, 0.0000000000000000, 0.0003643400000000 ] - [ -0.0011035200000000, 0.0005524100000000, -0.0005057500000000 ] - [ -0.0011035200000000, -0.0005524100000000, -0.0005057500000000 ] - [ -0.0009596100000000, 0.0000000000000000, -0.0001281100000000 ] - [ 0.0069579800000000, -0.0069063900000000, -0.0028770500000000 ] - [ 0.0069579800000000, 0.0069063900000000, -0.0028770500000000 ] - [ -0.0006263400000000, 0.0000000000000000, 0.0000631800000000 ] - [ -0.0003957000000000, -0.0001437100000000, 0.0001360200000000 ] - [ -0.0003957000000000, 0.0001437100000000, 0.0001360200000000 ] - [ -0.0004690900000000, 0.0000000000000000, -0.0000565900000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0042051100000000, -0.0022955600000000, 0.0013217100000000 ] - [ 0.0042051100000000, 0.0022955600000000, 0.0013217100000000 ] - [ 0.0011052200000000, 0.0000000000000000, 0.0006309400000000 ] - [ 0.0009954500000000, -0.0001417800000000, -0.0001361900000000 ] - [ 0.0009954500000000, 0.0001417800000000, -0.0001361900000000 ] - [ 0.0007877900000000, 0.0000000000000000, -0.0000573300000000 ] - [ -0.0077303800000000, 0.0005606200000000, 0.0014432000000000 ] - [ -0.0077303800000000, -0.0005606200000000, 0.0014432000000000 ] - [ -0.0015648700000000, 0.0000000000000000, -0.0000864200000000 ] - [ -0.0006240900000000, 0.0001284700000000, -0.0002326200000000 ] - [ -0.0006240900000000, -0.0001284700000000, -0.0002326200000000 ] - [ -0.0004148300000000, 0.0000000000000000, -0.0001717100000000 ] - [ 0.0017573900000000, 0.0000000000000000, 0.0033895800000000 ] - [ 0.0004717600000000, -0.0012631000000000, 0.0015411100000000 ] - [ 0.0004717600000000, 0.0012631000000000, 0.0015411100000000 ] - [ 0.0014789300000000, 0.0000000000000000, -0.0024454300000000 ] - [ 0.0001420700000000, -0.0007578300000000, -0.0008394400000000 ] - [ 0.0001420700000000, 0.0007578300000000, -0.0008394400000000 ] - [ 0.0036902400000000, 0.0000000000000000, -0.0051323500000000 ] - [ 0.0001823800000000, 0.0019387100000000, -0.0017444200000000 ] - [ 0.0001823800000000, -0.0019387100000000, -0.0017444200000000 ] - [ -0.0001140200000000, 0.0000000000000000, 0.0025406400000000 ] - [ -0.0001382200000000, 0.0005864300000000, 0.0002008000000000 ] - [ -0.0001382200000000, -0.0005864300000000, 0.0002008000000000 ] - [ 0.0005457800000000, -0.0031432700000000, -0.0009505100000000 ] - [ 0.0005457800000000, 0.0031432700000000, -0.0009505100000000 ] - [ 0.0000718800000000, 0.0000000000000000, -0.0003062000000000 ] - [ 0.0001904300000000, 0.0000073100000000, -0.0002956100000000 ] - [ 0.0001904300000000, -0.0000073100000000, -0.0002956100000000 ] - [ 0.0002387400000000, 0.0000000000000000, -0.0003632300000000 ] - [ 0.0007544400000000, 0.0000000000000000, -0.0006671300000000 ] - [ 0.0004630600000000, -0.0000808300000000, 0.0001483400000000 ] - [ 0.0004630600000000, 0.0000808300000000, 0.0001483400000000 ] - [ 0.0000338200000000, 0.0000000000000000, 0.0002616000000000 ] - [ -0.0000000600000000, -0.0000170200000000, 0.0002736800000000 ] - [ -0.0000000600000000, 0.0000170200000000, 0.0002736800000000 ] - [ 0.0062830700000000, 0.0000000000000000, 0.0041982700000000 ] - [ -0.0004913200000000, 0.0003411300000000, -0.0002150400000000 ] - [ -0.0004913200000000, -0.0003411300000000, -0.0002150400000000 ] - [ -0.0002821600000000, 0.0000000000000000, -0.0004149200000000 ] - [ -0.0002376900000000, 0.0000985300000000, -0.0004023500000000 ] - [ -0.0002376900000000, -0.0000985300000000, -0.0004023500000000 ] - [ 0.0009152100000000, 0.0000360500000000, 0.0005016400000000 ] - [ 0.0009152100000000, -0.0000360500000000, 0.0005016400000000 ] - [ 0.0005965300000000, 0.0000000000000000, 0.0003118900000000 ] - [ 0.0005287400000000, -0.0000001900000000, 0.0003359000000000 ] - [ 0.0005287400000000, 0.0000001900000000, 0.0003359000000000 ] - [ 0.0004911600000000, 0.0000000000000000, 0.0003901100000000 ] - [ -0.0009485400000000, 0.0000000000000000, -0.0002856900000000 ] - [ -0.0007481100000000, 0.0000988500000000, -0.0003420500000000 ] - [ -0.0007481100000000, -0.0000988500000000, -0.0003420500000000 ] - [ -0.0024105200000000, 0.0000000000000000, -0.0009951100000000 ] - [ -0.0008750500000000, 0.0001409700000000, -0.0003524200000000 ] - [ -0.0008750500000000, -0.0001409700000000, -0.0003524200000000 ] - [ 0.0006649500000000, -0.0000128400000000, 0.0003690900000000 ] - [ 0.0006649500000000, 0.0000128400000000, 0.0003690900000000 ] - [ 0.0004987200000000, 0.0000000000000000, 0.0003510700000000 ] - [ 0.0005046000000000, 0.0000577600000000, 0.0003192700000000 ] - [ 0.0005046000000000, -0.0000577600000000, 0.0003192700000000 ] - [ 0.0003309600000000, 0.0000000000000000, 0.0002993100000000 ] - [ -0.0016727200000000, 0.0004777900000000, 0.0004118300000000 ] - [ -0.0016727200000000, -0.0004777900000000, 0.0004118300000000 ] - [ -0.0001961000000000, 0.0000000000000000, -0.0002690900000000 ] - [ -0.0005256100000000, 0.0001917500000000, -0.0003819500000000 ] - [ -0.0005256100000000, -0.0001917500000000, -0.0003819500000000 ] - [ -0.0001484500000000, 0.0000000000000000, -0.0003512100000000 ] - [ 0.0001791300000000, 0.0000000000000000, 0.0003168100000000 ] - [ 0.0000581100000000, -0.0001412600000000, 0.0002604200000000 ] - [ 0.0000581100000000, 0.0001412600000000, 0.0002604200000000 ] - [ -0.0000646000000000, 0.0000000000000000, 0.0003232400000000 ] - [ -0.0001214900000000, -0.0000331300000000, 0.0003453900000000 ] - [ -0.0001214900000000, 0.0000331300000000, 0.0003453900000000 ] - [ 0.0489568000000000, 0.0000000000000000, -0.0118166700000000 ] - [ 0.0021534100000000, -0.0005406500000000, -0.0006335200000000 ] - [ 0.0021534100000000, 0.0005406500000000, -0.0006335200000000 ] - [ 0.0005001800000000, 0.0000000000000000, -0.0001501400000000 ] - [ 0.0004109200000000, -0.0000939300000000, -0.0001727900000000 ] - [ 0.0004109200000000, 0.0000939300000000, -0.0001727900000000 ] - [ -0.0017082900000000, 0.0000000000000000, 0.0000598000000000 ] - [ -0.0009013600000000, -0.0001026100000000, 0.0000363200000000 ] - [ -0.0009013600000000, 0.0001026100000000, 0.0000363200000000 ] - [ -0.0004871800000000, 0.0000000000000000, 0.0001204300000000 ] - [ -0.0004384900000000, -0.0000172800000000, 0.0001243200000000 ] - [ -0.0004384900000000, 0.0000172800000000, 0.0001243200000000 ] - [ 0.0008290600000000, 0.0009554100000000, 0.0013478200000000 ] - [ 0.0008290600000000, -0.0009554100000000, 0.0013478200000000 ] - [ 0.0004899100000000, 0.0000000000000000, -0.0001242100000000 ] - [ 0.0008224400000000, 0.0007680000000000, -0.0013160000000000 ] - [ 0.0008224400000000, -0.0007680000000000, -0.0013160000000000 ] - [ 0.0004799600000000, 0.0000000000000000, -0.0000934300000000 ] - [ -0.0008721000000000, -0.0001241900000000, 0.0000865900000000 ] - [ -0.0008721000000000, 0.0001241900000000, 0.0000865900000000 ] - [ -0.0008128000000000, 0.0000000000000000, 0.0001473800000000 ] - [ -0.0006527200000000, -0.0001758700000000, 0.0004387300000000 ] - [ -0.0006527200000000, 0.0001758700000000, 0.0004387300000000 ] - [ -0.0003210800000000, 0.0000000000000000, 0.0002400600000000 ] - [ -0.0012389600000000, 0.0000000000000000, 0.0001723600000000 ] - [ -0.0008098700000000, -0.0006525500000000, 0.0001465200000000 ] - [ -0.0008098700000000, 0.0006525500000000, 0.0001465200000000 ] - [ -0.0002018500000000, 0.0000000000000000, -0.0001100000000000 ] - [ -0.0000104900000000, -0.0000343400000000, -0.0000038900000000 ] - [ -0.0000104900000000, 0.0000343400000000, -0.0000038900000000 ] - [ -0.0057096500000000, 0.0000000000000000, 0.0000806600000000 ] - [ -0.0004752800000000, 0.0023855600000000, -0.0015412400000000 ] - [ -0.0004752800000000, -0.0023855600000000, -0.0015412400000000 ] - [ 0.0006606700000000, 0.0000000000000000, 0.0000995300000000 ] - [ 0.0005939000000000, 0.0000874300000000, -0.0001168800000000 ] - [ 0.0005939000000000, -0.0000874300000000, -0.0001168800000000 ] - [ -0.0092147500000000, 0.0000000000000000, -0.0050238200000000 ] - [ 0.0007053000000000, -0.0006749800000000, -0.0001922900000000 ] - [ 0.0007053000000000, 0.0006749800000000, -0.0001922900000000 ] - [ 0.0004852500000000, 0.0000000000000000, 0.0008225000000000 ] - [ 0.0005069300000000, -0.0001387100000000, 0.0006340700000000 ] - [ 0.0005069300000000, 0.0001387100000000, 0.0006340700000000 ] - [ -0.0057843500000000, 0.0000000000000000, 0.0144093100000000 ] - [ 0.0012452300000000, 0.0011813300000000, 0.0007915700000000 ] - [ 0.0012452300000000, -0.0011813300000000, 0.0007915700000000 ] - [ 0.0010945700000000, 0.0000000000000000, -0.0008231300000000 ] - [ 0.0009598900000000, 0.0001782200000000, -0.0005199800000000 ] - [ 0.0009598900000000, -0.0001782200000000, -0.0005199800000000 ] - [ -0.0006513200000000, -0.0001200300000000, -0.0004524900000000 ] - [ -0.0006513200000000, 0.0001200300000000, -0.0004524900000000 ] - [ -0.0003958400000000, 0.0000000000000000, -0.0003974800000000 ] - [ -0.0022499200000000, 0.0000257200000000, 0.0021274900000000 ] - [ -0.0022499200000000, -0.0000257200000000, 0.0021274900000000 ] - [ -0.0006320800000000, 0.0000000000000000, 0.0003310000000000 ] - [ -0.0015453500000000, 0.0003541600000000, 0.0004384500000000 ] - [ -0.0015453500000000, -0.0003541600000000, 0.0004384500000000 ] - [ -0.0013184600000000, 0.0000000000000000, 0.0000013100000000 ] - [ -0.0012716500000000, 0.0006375400000000, -0.0008797700000000 ] - [ -0.0012716500000000, -0.0006375400000000, -0.0008797700000000 ] - [ -0.0009770900000000, 0.0000000000000000, -0.0003383600000000 ] - [ -0.0047059400000000, -0.0057796600000000, -0.0051423000000000 ] - [ -0.0047059400000000, 0.0057796600000000, -0.0051423000000000 ] - [ 0.0000483800000000, 0.0000000000000000, 0.0001315400000000 ] - [ -0.0001358300000000, -0.0005058800000000, 0.0009871300000000 ] - [ -0.0001358300000000, 0.0005058800000000, 0.0009871300000000 ] - [ -0.0002871800000000, 0.0000000000000000, 0.0006229000000000 ] - [ -0.0075634400000000, 0.0068458800000000, 0.0027123500000000 ] - [ -0.0075634400000000, -0.0068458800000000, 0.0027123500000000 ] - [ -0.0001169100000000, 0.0000000000000000, -0.0001948800000000 ] - [ -0.0003398300000000, 0.0002050000000000, -0.0002600600000000 ] - [ -0.0003398300000000, -0.0002050000000000, -0.0002600600000000 ] - [ -0.0002759700000000, 0.0000000000000000, -0.0000741100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014705200000000, 0.0005636500000000, 0.0012121400000000 ] - [ -0.0010296800000000, 0.0006237200000000, -0.0007884200000000 ] - [ 0.0001845100000000, -0.0011519500000000, 0.0002264600000000 ] - [ 0.0004272800000000, 0.0002391500000000, 0.0001298900000000 ] - [ -0.0000121000000000, 0.0002337400000000, 0.0002843800000000 ] - [ 0.0002101900000000, -0.0004772500000000, 0.0002160400000000 ] - [ 0.0014256900000000, 0.0063328500000000, -0.0006412700000000 ] - [ -0.0013091200000000, 0.0065877800000000, 0.0003281400000000 ] - [ 0.0002246500000000, -0.0044334900000000, -0.0002166400000000 ] - [ 0.0000848600000000, 0.0003602400000000, -0.0004782800000000 ] - [ 0.0003115600000000, 0.0003114800000000, 0.0000075800000000 ] - [ 0.0002111000000000, -0.0006757100000000, -0.0002196300000000 ] - [ -0.0002091900000000, 0.0028034200000000, 0.0002157400000000 ] - [ 0.0006983000000000, -0.0014220900000000, 0.0012303100000000 ] - [ -0.0010951000000000, -0.0014323500000000, -0.0007923400000000 ] - [ -0.0002228100000000, 0.0013298600000000, 0.0002463300000000 ] - [ 0.0001418600000000, -0.0007213300000000, -0.0006454500000000 ] - [ -0.0005713100000000, -0.0007130700000000, 0.0010716900000000 ] - [ -0.0001780600000000, 0.0029914000000000, -0.0002405700000000 ] - [ -0.0009587000000000, -0.0015707700000000, 0.0007486500000000 ] - [ 0.0005522200000000, -0.0015753400000000, -0.0011884300000000 ] - [ -0.0002132200000000, 0.0013237300000000, -0.0001715600000000 ] - [ -0.0006775400000000, -0.0007146300000000, -0.0005354900000000 ] - [ 0.0002577000000000, -0.0007281700000000, 0.0001003000000000 ] - [ 0.0019449700000000, -0.0013595100000000, -0.0009040500000000 ] - [ -0.0013569200000000, -0.0013452900000000, 0.0002261800000000 ] - [ 0.0003126100000000, -0.0011001300000000, -0.0003452700000000 ] - [ 0.0003039400000000, 0.0000574900000000, -0.0002032700000000 ] - [ 0.0003208100000000, 0.0000565200000000, -0.0004880200000000 ] - [ 0.0003001700000000, -0.0000960000000000, -0.0003419900000000 ] - [ -0.0001589100000000, 0.0001136800000000, 0.0002917000000000 ] - [ 0.0001489000000000, -0.0001285500000000, 0.0002618700000000 ] - [ -0.0004818100000000, -0.0001277900000000, 0.0003249100000000 ] - [ -0.0001108900000000, 0.0000523200000000, 0.0002708400000000 ] - [ -0.0001454300000000, -0.0000264900000000, 0.0002923600000000 ] - [ -0.0001777700000000, -0.0000282900000000, 0.0002882400000000 ] - [ -0.0001711400000000, 0.0020712200000000, -0.0002899600000000 ] - [ -0.0006765000000000, -0.0002740800000000, -0.0006145900000000 ] - [ 0.0003860300000000, -0.0002763900000000, 0.0000460200000000 ] - [ -0.0001586400000000, 0.0002259200000000, -0.0002906400000000 ] - [ -0.0001757200000000, -0.0001396900000000, -0.0002078300000000 ] - [ -0.0001327300000000, -0.0001421100000000, -0.0003675800000000 ] - [ 0.0000241700000000, 0.0000277500000000, 0.0001201300000000 ] - [ 0.0005781600000000, 0.0000291800000000, 0.0005652000000000 ] - [ 0.0003009800000000, -0.0001317600000000, 0.0003422600000000 ] - [ 0.0002388700000000, 0.0000117300000000, 0.0003815300000000 ] - [ 0.0003499700000000, 0.0000131700000000, 0.0002984300000000 ] - [ 0.0003024800000000, -0.0000272700000000, 0.0003420400000000 ] - [ -0.0003089000000000, 0.0004914200000000, -0.0003468100000000 ] - [ -0.0003166900000000, -0.0002284600000000, -0.0002477400000000 ] - [ -0.0002957700000000, -0.0002310200000000, -0.0004382000000000 ] - [ -0.0002957900000000, 0.0008445600000000, -0.0003346100000000 ] - [ -0.0004145800000000, -0.0002026100000000, -0.0006407400000000 ] - [ -0.0002023100000000, -0.0002040900000000, -0.0000494900000000 ] - [ 0.0001741400000000, 0.0000156000000000, 0.0002573500000000 ] - [ 0.0001189900000000, 0.0000142400000000, 0.0003120000000000 ] - [ 0.0001522200000000, -0.0000221900000000, 0.0002871600000000 ] - [ 0.0001857800000000, 0.0000131100000000, 0.0003160700000000 ] - [ 0.0001729900000000, 0.0000119300000000, 0.0002788400000000 ] - [ 0.0001528700000000, -0.0000348600000000, 0.0002874800000000 ] - [ 0.0004776100000000, -0.0003294500000000, -0.0014350200000000 ] - [ -0.0001754500000000, -0.0003180200000000, 0.0008521000000000 ] - [ 0.0001501300000000, -0.0004611200000000, -0.0002831100000000 ] - [ -0.0000278800000000, 0.0000918300000000, -0.0001337100000000 ] - [ 0.0003547400000000, 0.0000917300000000, -0.0004468300000000 ] - [ 0.0001643700000000, -0.0001658300000000, -0.0002924000000000 ] - [ -0.0002992200000000, 0.0000442000000000, 0.0003425500000000 ] - [ -0.0003518800000000, 0.0000162600000000, 0.0004008400000000 ] - [ -0.0002524900000000, 0.0000165200000000, 0.0002850300000000 ] - [ -0.0003201500000000, 0.0000789800000000, 0.0003470100000000 ] - [ -0.0003101000000000, -0.0000416400000000, 0.0003453100000000 ] - [ -0.0003020400000000, -0.0000413100000000, 0.0003413700000000 ] - [ 0.0002529500000000, -0.0381250700000000, -0.0001363600000000 ] - [ -0.0005097800000000, 0.0089200500000000, 0.0000875900000000 ] - [ 0.0005151900000000, 0.0087715800000000, -0.0003714400000000 ] - [ 0.0000168800000000, -0.0002777900000000, -0.0001495500000000 ] - [ -0.0000613500000000, 0.0001522400000000, -0.0001675000000000 ] - [ 0.0000940900000000, 0.0001698100000000, -0.0001392800000000 ] - [ 0.0000178400000000, -0.0003358400000000, 0.0001513000000000 ] - [ -0.0000866200000000, 0.0001460800000000, 0.0001919800000000 ] - [ 0.0001116700000000, 0.0001775100000000, 0.0001190800000000 ] - [ 0.0000179400000000, -0.0001503200000000, 0.0001418700000000 ] - [ 0.0000142300000000, 0.0000659400000000, 0.0001454400000000 ] - [ 0.0000257900000000, 0.0000904200000000, 0.0001397200000000 ] - [ -0.0007761400000000, 0.0006190000000000, 0.0017769300000000 ] - [ 0.0007560000000000, 0.0006342700000000, -0.0020913300000000 ] - [ -0.0000168700000000, 0.0005215900000000, -0.0001523100000000 ] - [ -0.0009778800000000, 0.0006239000000000, -0.0021418600000000 ] - [ 0.0009532600000000, 0.0006338400000000, 0.0018662700000000 ] - [ -0.0000197300000000, 0.0005147000000000, -0.0001351500000000 ] - [ 0.0000984500000000, -0.0001918400000000, 0.0001768900000000 ] - [ -0.0001269800000000, -0.0001741400000000, 0.0001187600000000 ] - [ -0.0000171700000000, 0.0004300400000000, 0.0001409800000000 ] - [ 0.0001456000000000, -0.0000821200000000, -0.0000482700000000 ] - [ -0.0001808000000000, -0.0000528100000000, 0.0003363000000000 ] - [ -0.0000168500000000, 0.0001749700000000, 0.0001465400000000 ] - [ 0.0003852800000000, -0.0006272500000000, 0.0000687600000000 ] - [ 0.0007876100000000, 0.0004598700000000, 0.0000929800000000 ] - [ -0.0000443300000000, 0.0004102900000000, 0.0000338300000000 ] - [ 0.0003476500000000, -0.0002084600000000, 0.0000589400000000 ] - [ 0.0004481800000000, 0.0001308400000000, 0.0001088600000000 ] - [ 0.0002922500000000, 0.0000768200000000, -0.0000001500000000 ] - [ 0.0006374900000000, -0.0028690800000000, -0.0002506500000000 ] - [ -0.0002981700000000, 0.0024382800000000, -0.0012287400000000 ] - [ 0.0015289200000000, 0.0023928600000000, 0.0007498300000000 ] - [ 0.0006828000000000, -0.0002386500000000, -0.0002637800000000 ] - [ 0.0006380900000000, 0.0001413700000000, -0.0001786300000000 ] - [ 0.0006008600000000, 0.0001010200000000, -0.0003027400000000 ] - [ 0.0005560900000000, -0.0015157500000000, 0.0002249700000000 ] - [ 0.0011697000000000, 0.0004641900000000, 0.0005295900000000 ] - [ 0.0001231000000000, 0.0004317200000000, -0.0000305100000000 ] - [ 0.0006254800000000, -0.0004705400000000, 0.0002436000000000 ] - [ 0.0008709700000000, 0.0003036600000000, 0.0000228100000000 ] - [ 0.0003883300000000, 0.0002619000000000, 0.0004519000000000 ] - [ 0.0004304200000000, -0.0044784300000000, -0.0001201200000000 ] - [ 0.0001570000000000, 0.0012279600000000, 0.0009614300000000 ] - [ 0.0005703700000000, 0.0011719100000000, -0.0010638900000000 ] - [ 0.0003718700000000, -0.0007269300000000, -0.0000661600000000 ] - [ 0.0002987400000000, 0.0004061000000000, -0.0004119200000000 ] - [ 0.0004368900000000, 0.0003431300000000, 0.0002907100000000 ] - [ -0.0001255600000000, -0.0001947200000000, 0.0002804700000000 ] - [ -0.0006424600000000, -0.0002558400000000, -0.0001701600000000 ] - [ -0.0003796500000000, 0.0005223900000000, 0.0000598800000000 ] - [ 0.0011551000000000, -0.0007106900000000, -0.0019630400000000 ] - [ -0.0019196300000000, -0.0007710400000000, 0.0021100900000000 ] - [ -0.0003835600000000, 0.0005669400000000, 0.0000737300000000 ] - [ -0.0007947500000000, -0.0002381300000000, 0.0000442900000000 ] - [ -0.0004850200000000, -0.0002858000000000, -0.0005382100000000 ] - [ -0.0006336200000000, 0.0004987400000000, -0.0002524600000000 ] - [ -0.0006120500000000, -0.0001785000000000, -0.0003659300000000 ] - [ -0.0005873500000000, -0.0002189800000000, -0.0000908400000000 ] - [ -0.0006345900000000, 0.0004045000000000, -0.0002452100000000 ] - [ 0.0045098800000000, 0.0027759100000000, 0.0047349000000000 ] - [ -0.0058085600000000, 0.0027274300000000, -0.0042811100000000 ] - [ -0.0006414300000000, 0.0012664000000000, 0.0002434500000000 ] - [ -0.0004701000000000, -0.0002586200000000, 0.0000710000000000 ] - [ -0.0007694100000000, -0.0003121800000000, 0.0004097200000000 ] - [ -0.0006194000000000, 0.0005008600000000, 0.0002451300000000 ] - [ -0.0063420900000000, 0.0026631800000000, 0.0017597900000000 ] - [ 0.0056829400000000, 0.0026011000000000, -0.0018950400000000 ] - [ -0.0003487600000000, 0.0010681500000000, -0.0000682000000000 ] - [ -0.0006529400000000, -0.0001177300000000, -0.0004334300000000 ] - [ -0.0000652900000000, -0.0001934300000000, 0.0003066000000000 ] - [ -0.0003867700000000, 0.0002669400000000, -0.0000654600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004988000000000, 0.0004948100000000, 0.0018205400000000 ] - [ 0.0004988000000000, -0.0004948100000000, 0.0018205400000000 ] - [ 0.0002947900000000, 0.0000000000000000, 0.0008949600000000 ] - [ 0.0004544800000000, 0.0000033200000000, -0.0007076400000000 ] - [ 0.0004544800000000, -0.0000033200000000, -0.0007076400000000 ] - [ 0.0003922400000000, 0.0000000000000000, -0.0004216600000000 ] - [ -0.0027047300000000, -0.0010358500000000, 0.0056331800000000 ] - [ -0.0027047300000000, 0.0010358500000000, 0.0056331800000000 ] - [ -0.0003377100000000, 0.0000000000000000, 0.0004974200000000 ] - [ -0.0000941500000000, -0.0000644300000000, -0.0015452000000000 ] - [ -0.0000941500000000, 0.0000644300000000, -0.0015452000000000 ] - [ 0.0001451100000000, 0.0000000000000000, -0.0009113400000000 ] - [ -0.0021082400000000, 0.0000000000000000, -0.0000125800000000 ] - [ -0.0007764200000000, 0.0008326900000000, 0.0004056900000000 ] - [ -0.0007764200000000, -0.0008326900000000, 0.0004056900000000 ] - [ 0.0015413700000000, 0.0000000000000000, -0.0016433200000000 ] - [ 0.0000452700000000, -0.0005453700000000, -0.0002511700000000 ] - [ 0.0000452700000000, 0.0005453700000000, -0.0002511700000000 ] - [ 0.0028045700000000, 0.0000000000000000, -0.0013999700000000 ] - [ 0.0005688200000000, 0.0009868400000000, -0.0001978000000000 ] - [ 0.0005688200000000, -0.0009868400000000, -0.0001978000000000 ] - [ -0.0012488800000000, 0.0000000000000000, -0.0012114700000000 ] - [ -0.0009651500000000, -0.0006894900000000, -0.0005153600000000 ] - [ -0.0009651500000000, 0.0006894900000000, -0.0005153600000000 ] - [ 0.0009260900000000, -0.0011218300000000, -0.0000547400000000 ] - [ 0.0009260900000000, 0.0011218300000000, -0.0000547400000000 ] - [ 0.0002949800000000, 0.0000000000000000, -0.0003105000000000 ] - [ 0.0003396300000000, -0.0000120200000000, -0.0006750600000000 ] - [ 0.0003396300000000, 0.0000120200000000, -0.0006750600000000 ] - [ 0.0003120200000000, 0.0000000000000000, -0.0004136900000000 ] - [ -0.0000368900000000, 0.0000000000000000, 0.0003970100000000 ] - [ -0.0000341800000000, -0.0000449600000000, 0.0003238500000000 ] - [ -0.0000341800000000, 0.0000449600000000, 0.0003238500000000 ] - [ -0.0000730000000000, 0.0000000000000000, 0.0001704300000000 ] - [ -0.0001444300000000, -0.0000033800000000, 0.0002126800000000 ] - [ -0.0001444300000000, 0.0000033800000000, 0.0002126800000000 ] - [ -0.0023062200000000, 0.0000000000000000, 0.0006603900000000 ] - [ -0.0001686200000000, -0.0000409600000000, -0.0000304800000000 ] - [ -0.0001686200000000, 0.0000409600000000, -0.0000304800000000 ] - [ -0.0001679900000000, 0.0000000000000000, -0.0006001200000000 ] - [ -0.0001573700000000, 0.0001410800000000, -0.0005692800000000 ] - [ -0.0001573700000000, -0.0001410800000000, -0.0005692800000000 ] - [ 0.0004625800000000, -0.0000381500000000, 0.0003962600000000 ] - [ 0.0004625800000000, 0.0000381500000000, 0.0003962600000000 ] - [ 0.0003512000000000, 0.0000000000000000, 0.0003463000000000 ] - [ 0.0002591300000000, 0.0000127100000000, 0.0003371400000000 ] - [ 0.0002591300000000, -0.0000127100000000, 0.0003371400000000 ] - [ 0.0002694100000000, 0.0000000000000000, 0.0003178500000000 ] - [ -0.0005200200000000, 0.0000000000000000, -0.0010584900000000 ] - [ -0.0004930900000000, 0.0002299300000000, -0.0004532800000000 ] - [ -0.0004930900000000, -0.0002299300000000, -0.0004532800000000 ] - [ -0.0019379800000000, 0.0000000000000000, -0.0017366300000000 ] - [ -0.0002397600000000, -0.0002366000000000, -0.0002607200000000 ] - [ -0.0002397600000000, 0.0002366000000000, -0.0002607200000000 ] - [ 0.0002374700000000, 0.0000065800000000, 0.0003093200000000 ] - [ 0.0002374700000000, -0.0000065800000000, 0.0003093200000000 ] - [ 0.0002269100000000, 0.0000000000000000, 0.0003080800000000 ] - [ 0.0001819600000000, -0.0000074200000000, 0.0002807300000000 ] - [ 0.0001819600000000, 0.0000074200000000, 0.0002807300000000 ] - [ 0.0001448900000000, 0.0000000000000000, 0.0002685100000000 ] - [ 0.0002555500000000, -0.0009847000000000, -0.0010392700000000 ] - [ 0.0002555500000000, 0.0009847000000000, -0.0010392700000000 ] - [ 0.0001004800000000, 0.0000000000000000, -0.0002466200000000 ] - [ 0.0002249500000000, 0.0001702000000000, -0.0006132900000000 ] - [ 0.0002249500000000, -0.0001702000000000, -0.0006132900000000 ] - [ 0.0001546200000000, 0.0000000000000000, -0.0003789600000000 ] - [ -0.0002702400000000, 0.0000000000000000, 0.0003359800000000 ] - [ -0.0002821100000000, -0.0000229200000000, 0.0003493900000000 ] - [ -0.0002821100000000, 0.0000229200000000, 0.0003493900000000 ] - [ -0.0002699400000000, 0.0000000000000000, 0.0003189100000000 ] - [ -0.0002584600000000, -0.0000419300000000, 0.0003124500000000 ] - [ -0.0002584600000000, 0.0000419300000000, 0.0003124500000000 ] - [ 0.0116852700000000, 0.0000000000000000, -0.0358678000000000 ] - [ 0.0004996900000000, -0.0002553100000000, -0.0009988500000000 ] - [ 0.0004996900000000, 0.0002553100000000, -0.0009988500000000 ] - [ 0.0000254500000000, 0.0000000000000000, 0.0002557100000000 ] - [ 0.0000397400000000, 0.0000049300000000, 0.0001676600000000 ] - [ 0.0000397400000000, -0.0000049300000000, 0.0001676600000000 ] - [ -0.0000792200000000, 0.0000000000000000, -0.0000216800000000 ] - [ -0.0001055400000000, 0.0000207100000000, 0.0000368300000000 ] - [ -0.0001055400000000, -0.0000207100000000, 0.0000368300000000 ] - [ 0.0000128400000000, 0.0000000000000000, 0.0002780500000000 ] - [ 0.0000189500000000, -0.0000101000000000, 0.0002572000000000 ] - [ 0.0000189500000000, 0.0000101000000000, 0.0002572000000000 ] - [ -0.0011792100000000, 0.0019709600000000, 0.0024711100000000 ] - [ -0.0011792100000000, -0.0019709600000000, 0.0024711100000000 ] - [ 0.0000174500000000, 0.0000000000000000, -0.0001898600000000 ] - [ 0.0014866500000000, -0.0019619100000000, 0.0025310500000000 ] - [ 0.0014866500000000, 0.0019619100000000, 0.0025310500000000 ] - [ -0.0000095900000000, 0.0000000000000000, -0.0001766600000000 ] - [ 0.0000352400000000, 0.0000180300000000, 0.0000511400000000 ] - [ 0.0000352400000000, -0.0000180300000000, 0.0000511400000000 ] - [ -0.0000252900000000, 0.0000000000000000, -0.0000060200000000 ] - [ -0.0003099000000000, -0.0002079800000000, 0.0003224500000000 ] - [ -0.0003099000000000, 0.0002079800000000, 0.0003224500000000 ] - [ -0.0001168400000000, 0.0000000000000000, 0.0002267300000000 ] - [ 0.0000456100000000, 0.0000000000000000, -0.0004626600000000 ] - [ 0.0000618400000000, -0.0000936100000000, -0.0003105500000000 ] - [ 0.0000618400000000, 0.0000936100000000, -0.0003105500000000 ] - [ 0.0004339400000000, 0.0000000000000000, 0.0004551500000000 ] - [ 0.0004037800000000, 0.0000729700000000, 0.0004038300000000 ] - [ 0.0004037800000000, -0.0000729700000000, 0.0004038300000000 ] - [ 0.0005818400000000, 0.0000000000000000, -0.0014915300000000 ] - [ 0.0002290400000000, 0.0010085800000000, -0.0012534900000000 ] - [ 0.0002290400000000, -0.0010085800000000, -0.0012534900000000 ] - [ 0.0008078500000000, 0.0000000000000000, 0.0004630300000000 ] - [ 0.0006560300000000, 0.0000647800000000, 0.0001284600000000 ] - [ 0.0006560300000000, -0.0000647800000000, 0.0001284600000000 ] - [ 0.0045536100000000, 0.0000000000000000, 0.0006283900000000 ] - [ 0.0007879000000000, 0.0001019200000000, -0.0002433200000000 ] - [ 0.0007879000000000, -0.0001019200000000, -0.0002433200000000 ] - [ 0.0002616600000000, 0.0000000000000000, 0.0008677200000000 ] - [ 0.0002450800000000, -0.0002180400000000, 0.0007486800000000 ] - [ 0.0002450800000000, 0.0002180400000000, 0.0007486800000000 ] - [ -0.0123951000000000, 0.0000000000000000, 0.0157947200000000 ] - [ 0.0003363200000000, 0.0005965400000000, -0.0001355700000000 ] - [ 0.0003363200000000, -0.0005965400000000, -0.0001355700000000 ] - [ 0.0008574700000000, 0.0000000000000000, 0.0009223100000000 ] - [ 0.0005737800000000, -0.0002035700000000, 0.0003629400000000 ] - [ 0.0005737800000000, 0.0002035700000000, 0.0003629400000000 ] - [ -0.0002013800000000, 0.0000867800000000, 0.0003708600000000 ] - [ -0.0002013800000000, -0.0000867800000000, 0.0003708600000000 ] - [ -0.0003563500000000, 0.0000000000000000, 0.0003722500000000 ] - [ -0.0009532200000000, -0.0001849200000000, 0.0003866100000000 ] - [ -0.0009532200000000, 0.0001849200000000, 0.0003866100000000 ] - [ -0.0004692200000000, 0.0000000000000000, -0.0000073300000000 ] - [ -0.0010135000000000, 0.0001719200000000, 0.0000183100000000 ] - [ -0.0010135000000000, -0.0001719200000000, 0.0000183100000000 ] - [ -0.0008597800000000, 0.0000000000000000, -0.0001122900000000 ] - [ -0.0003716600000000, -0.0001754700000000, -0.0002943900000000 ] - [ -0.0003716600000000, 0.0001754700000000, -0.0002943900000000 ] - [ -0.0005177000000000, 0.0000000000000000, -0.0003944800000000 ] - [ 0.0042861700000000, 0.0046411200000000, 0.0021703800000000 ] - [ 0.0042861700000000, -0.0046411200000000, 0.0021703800000000 ] - [ -0.0005358300000000, 0.0000000000000000, -0.0000826100000000 ] - [ -0.0006808500000000, -0.0004821500000000, 0.0010329400000000 ] - [ -0.0006808500000000, 0.0004821500000000, 0.0010329400000000 ] - [ -0.0005286300000000, 0.0000000000000000, 0.0005496400000000 ] - [ -0.0031495500000000, 0.0020841000000000, -0.0005225000000000 ] - [ -0.0031495500000000, -0.0020841000000000, -0.0005225000000000 ] - [ -0.0004097400000000, 0.0000000000000000, -0.0003657400000000 ] - [ -0.0000149200000000, 0.0000252000000000, 0.0007854500000000 ] - [ -0.0000149200000000, -0.0000252000000000, 0.0007854500000000 ] - [ -0.0003686900000000, 0.0000000000000000, 0.0002841600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000725000000000, -0.0005112000000000, -0.0013921700000000 ] - [ -0.0000725000000000, 0.0005112000000000, -0.0013921700000000 ] - [ 0.0001017000000000, 0.0000000000000000, -0.0004539600000000 ] - [ -0.0000319300000000, -0.0000008700000000, 0.0011191800000000 ] - [ -0.0000319300000000, 0.0000008700000000, 0.0011191800000000 ] - [ 0.0000328500000000, 0.0000000000000000, 0.0008335500000000 ] - [ 0.0030626400000000, 0.0009702000000000, -0.0060584300000000 ] - [ 0.0030626400000000, -0.0009702000000000, -0.0060584300000000 ] - [ 0.0007548900000000, 0.0000000000000000, -0.0009056700000000 ] - [ 0.0005138700000000, 0.0000861100000000, 0.0011035600000000 ] - [ 0.0005138700000000, -0.0000861100000000, 0.0011035600000000 ] - [ 0.0002821000000000, 0.0000000000000000, 0.0004777100000000 ] - [ 0.0016974900000000, 0.0000000000000000, 0.0004157800000000 ] - [ 0.0003594100000000, -0.0008345800000000, 0.0000052700000000 ] - [ 0.0003594100000000, 0.0008345800000000, 0.0000052700000000 ] - [ -0.0019814900000000, 0.0000000000000000, 0.0021042000000000 ] - [ -0.0004829100000000, 0.0005393500000000, 0.0006916500000000 ] - [ -0.0004829100000000, -0.0005393500000000, 0.0006916500000000 ] - [ -0.0032498500000000, 0.0000000000000000, 0.0009787900000000 ] - [ -0.0009982600000000, -0.0010019700000000, -0.0002414000000000 ] - [ -0.0009982600000000, 0.0010019700000000, -0.0002414000000000 ] - [ 0.0008237400000000, 0.0000000000000000, 0.0008247900000000 ] - [ 0.0005400500000000, 0.0006833700000000, 0.0001018700000000 ] - [ 0.0005400500000000, -0.0006833700000000, 0.0001018700000000 ] - [ -0.0003137600000000, 0.0011473800000000, -0.0006417200000000 ] - [ -0.0003137600000000, -0.0011473800000000, -0.0006417200000000 ] - [ 0.0003477800000000, 0.0000000000000000, -0.0003870300000000 ] - [ 0.0002899300000000, 0.0000124600000000, -0.0000178800000000 ] - [ 0.0002899300000000, -0.0000124600000000, -0.0000178800000000 ] - [ 0.0003111300000000, 0.0000000000000000, -0.0002771700000000 ] - [ -0.0002667600000000, 0.0000000000000000, 0.0001817500000000 ] - [ -0.0002785700000000, 0.0000466300000000, 0.0002527800000000 ] - [ -0.0002785700000000, -0.0000466300000000, 0.0002527800000000 ] - [ -0.0001926800000000, 0.0000000000000000, 0.0003873000000000 ] - [ -0.0001644700000000, 0.0000046300000000, 0.0003609600000000 ] - [ -0.0001644700000000, -0.0000046300000000, 0.0003609600000000 ] - [ 0.0020234200000000, 0.0000000000000000, -0.0012332800000000 ] - [ -0.0001181200000000, 0.0000417400000000, -0.0005349400000000 ] - [ -0.0001181200000000, -0.0000417400000000, -0.0005349400000000 ] - [ -0.0001343000000000, 0.0000000000000000, 0.0000276300000000 ] - [ -0.0001431600000000, -0.0001417600000000, -0.0000002700000000 ] - [ -0.0001431600000000, 0.0001417600000000, -0.0000002700000000 ] - [ 0.0001572500000000, 0.0000370300000000, 0.0002942700000000 ] - [ 0.0001572500000000, -0.0000370300000000, 0.0002942700000000 ] - [ 0.0002699100000000, 0.0000000000000000, 0.0003457700000000 ] - [ 0.0003566400000000, -0.0000136200000000, 0.0003509300000000 ] - [ 0.0003566400000000, 0.0000136200000000, 0.0003509300000000 ] - [ 0.0003558600000000, 0.0000000000000000, 0.0003727300000000 ] - [ -0.0001073000000000, 0.0000000000000000, 0.0003711600000000 ] - [ -0.0001280600000000, -0.0002321300000000, -0.0002388300000000 ] - [ -0.0001280600000000, 0.0002321300000000, -0.0002388300000000 ] - [ 0.0012750700000000, 0.0000000000000000, 0.0010925700000000 ] - [ -0.0003827200000000, 0.0002367900000000, -0.0004281900000000 ] - [ -0.0003827200000000, -0.0002367900000000, -0.0004281900000000 ] - [ 0.0000541400000000, -0.0000048400000000, 0.0002571200000000 ] - [ 0.0000541400000000, 0.0000048400000000, 0.0002571200000000 ] - [ 0.0000701600000000, 0.0000000000000000, 0.0002617200000000 ] - [ 0.0001375200000000, 0.0000087900000000, 0.0002993100000000 ] - [ 0.0001375200000000, -0.0000087900000000, 0.0002993100000000 ] - [ 0.0001580700000000, 0.0000000000000000, 0.0003059500000000 ] - [ 0.0000464000000000, 0.0009875000000000, 0.0004621800000000 ] - [ 0.0000464000000000, -0.0009875000000000, 0.0004621800000000 ] - [ 0.0001971200000000, 0.0000000000000000, -0.0003266400000000 ] - [ 0.0000817300000000, -0.0001688200000000, 0.0000424700000000 ] - [ 0.0000817300000000, 0.0001688200000000, 0.0000424700000000 ] - [ 0.0001537000000000, 0.0000000000000000, -0.0001942800000000 ] - [ -0.0003517800000000, 0.0000000000000000, 0.0003557700000000 ] - [ -0.0003375100000000, 0.0000230200000000, 0.0003412300000000 ] - [ -0.0003375100000000, -0.0000230200000000, 0.0003412300000000 ] - [ -0.0003700600000000, 0.0000000000000000, 0.0003765400000000 ] - [ -0.0003703400000000, 0.0000412200000000, 0.0003800600000000 ] - [ -0.0003703400000000, -0.0000412200000000, 0.0003800600000000 ] - [ -0.0113148700000000, 0.0000000000000000, 0.0353019700000000 ] - [ -0.0004847900000000, 0.0002062700000000, 0.0006991100000000 ] - [ -0.0004847900000000, -0.0002062700000000, 0.0006991100000000 ] - [ 0.0000042100000000, 0.0000000000000000, -0.0005743500000000 ] - [ -0.0000178700000000, -0.0000273300000000, -0.0004958300000000 ] - [ -0.0000178700000000, 0.0000273300000000, -0.0004958300000000 ] - [ 0.0001161900000000, 0.0000000000000000, 0.0003600600000000 ] - [ 0.0001252900000000, -0.0000409600000000, 0.0003026400000000 ] - [ 0.0001252900000000, 0.0000409600000000, 0.0003026400000000 ] - [ 0.0000262600000000, 0.0000000000000000, 0.0000091600000000 ] - [ 0.0000138500000000, -0.0000176500000000, 0.0000312900000000 ] - [ 0.0000138500000000, 0.0000176500000000, 0.0000312900000000 ] - [ 0.0011811900000000, -0.0020368100000000, -0.0028542800000000 ] - [ 0.0011811900000000, 0.0020368100000000, -0.0028542800000000 ] - [ -0.0000511200000000, 0.0000000000000000, -0.0001239600000000 ] - [ -0.0014974400000000, 0.0019144000000000, -0.0027876400000000 ] - [ -0.0014974400000000, -0.0019144000000000, -0.0027876400000000 ] - [ -0.0000387900000000, 0.0000000000000000, -0.0001127800000000 ] - [ -0.0000530800000000, -0.0000386700000000, 0.0002555400000000 ] - [ -0.0000530800000000, 0.0000386700000000, 0.0002555400000000 ] - [ -0.0000036700000000, 0.0000000000000000, 0.0003082300000000 ] - [ 0.0002747800000000, 0.0001823100000000, -0.0000080700000000 ] - [ 0.0002747800000000, -0.0001823100000000, -0.0000080700000000 ] - [ 0.0000821300000000, 0.0000000000000000, 0.0000881800000000 ] - [ 0.0007137000000000, 0.0000000000000000, 0.0006009500000000 ] - [ 0.0006795300000000, 0.0001503800000000, 0.0004373200000000 ] - [ 0.0006795300000000, -0.0001503800000000, 0.0004373200000000 ] - [ 0.0002865700000000, 0.0000000000000000, -0.0003381600000000 ] - [ 0.0003455900000000, -0.0000193300000000, -0.0003058700000000 ] - [ 0.0003455900000000, 0.0000193300000000, -0.0003058700000000 ] - [ 0.0006992100000000, 0.0000000000000000, 0.0010144800000000 ] - [ 0.0010078400000000, -0.0009713600000000, 0.0007965500000000 ] - [ 0.0010078400000000, 0.0009713600000000, 0.0007965500000000 ] - [ 0.0004849400000000, 0.0000000000000000, -0.0009735800000000 ] - [ 0.0005648100000000, -0.0000256800000000, -0.0006056800000000 ] - [ 0.0005648100000000, 0.0000256800000000, -0.0006056800000000 ] - [ -0.0033824600000000, 0.0000000000000000, -0.0001576600000000 ] - [ 0.0004782300000000, -0.0000648100000000, 0.0007393000000000 ] - [ 0.0004782300000000, 0.0000648100000000, 0.0007393000000000 ] - [ 0.0009784500000000, 0.0000000000000000, -0.0004005400000000 ] - [ 0.0010007400000000, 0.0002627500000000, -0.0002910500000000 ] - [ 0.0010007400000000, -0.0002627500000000, -0.0002910500000000 ] - [ 0.0129275200000000, 0.0000000000000000, -0.0156597600000000 ] - [ 0.0004017900000000, -0.0005437700000000, 0.0000303100000000 ] - [ 0.0004017900000000, 0.0005437700000000, 0.0000303100000000 ] - [ -0.0001227000000000, 0.0000000000000000, -0.0010686700000000 ] - [ 0.0001481500000000, 0.0002652600000000, -0.0004902200000000 ] - [ 0.0001481500000000, -0.0002652600000000, -0.0004902200000000 ] - [ -0.0005611900000000, -0.0000278600000000, -0.0002739400000000 ] - [ -0.0005611900000000, 0.0000278600000000, -0.0002739400000000 ] - [ -0.0003968000000000, 0.0000000000000000, -0.0002623500000000 ] - [ 0.0002293600000000, 0.0002438100000000, -0.0002696300000000 ] - [ 0.0002293600000000, -0.0002438100000000, -0.0002696300000000 ] - [ -0.0002861200000000, 0.0000000000000000, 0.0001410900000000 ] - [ -0.0002399400000000, -0.0001295800000000, -0.0005102200000000 ] - [ -0.0002399400000000, 0.0001295800000000, -0.0005102200000000 ] - [ -0.0003821300000000, 0.0000000000000000, -0.0003860100000000 ] - [ -0.0008222900000000, 0.0002183200000000, -0.0001525500000000 ] - [ -0.0008222900000000, -0.0002183200000000, -0.0001525500000000 ] - [ -0.0007234800000000, 0.0000000000000000, -0.0000855800000000 ] - [ -0.0055696200000000, -0.0046415400000000, -0.0016952500000000 ] - [ -0.0055696200000000, 0.0046415400000000, -0.0016952500000000 ] - [ -0.0007168800000000, 0.0000000000000000, 0.0005774100000000 ] - [ -0.0005489500000000, 0.0005273500000000, -0.0005646700000000 ] - [ -0.0005489500000000, -0.0005273500000000, -0.0005646700000000 ] - [ -0.0007041500000000, 0.0000000000000000, -0.0000694800000000 ] - [ 0.0024226200000000, -0.0020357000000000, 0.0004357500000000 ] - [ 0.0024226200000000, 0.0020357000000000, 0.0004357500000000 ] - [ -0.0003143900000000, 0.0000000000000000, 0.0002385600000000 ] - [ -0.0007030300000000, 0.0000425000000000, -0.0009077500000000 ] - [ -0.0007030300000000, -0.0000425000000000, -0.0009077500000000 ] - [ -0.0003881600000000, 0.0000000000000000, -0.0004112800000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0130370400000000, 0.0026438500000000, -0.0007790500000000 ] - [ 0.0130370400000000, -0.0026438500000000, -0.0007790500000000 ] - [ 0.0017125500000000, 0.0000000000000000, 0.0003627200000000 ] - [ 0.0020471300000000, -0.0007945200000000, -0.0004942100000000 ] - [ 0.0020471300000000, 0.0007945200000000, -0.0004942100000000 ] - [ 0.0011955800000000, 0.0000000000000000, -0.0000449200000000 ] - [ -0.0023289200000000, 0.0001176400000000, -0.0003505800000000 ] - [ -0.0023289200000000, -0.0001176400000000, -0.0003505800000000 ] - [ -0.0014344700000000, 0.0000000000000000, -0.0003949100000000 ] - [ -0.0012373700000000, 0.0000079400000000, 0.0000039600000000 ] - [ -0.0012373700000000, -0.0000079400000000, 0.0000039600000000 ] - [ -0.0006642600000000, 0.0000000000000000, -0.0000544000000000 ] - [ -0.0040873700000000, 0.0000000000000000, 0.0017711200000000 ] - [ -0.0032029300000000, -0.0019334300000000, 0.0013327700000000 ] - [ -0.0032029300000000, 0.0019334300000000, 0.0013327700000000 ] - [ -0.0019732200000000, 0.0000000000000000, -0.0007818900000000 ] - [ -0.0008229500000000, -0.0004147700000000, -0.0000322200000000 ] - [ -0.0008229500000000, 0.0004147700000000, -0.0000322200000000 ] - [ 0.0291228300000000, 0.0000000000000000, 0.0120241300000000 ] - [ 0.0015667900000000, 0.0026370800000000, -0.0015048100000000 ] - [ 0.0015667900000000, -0.0026370800000000, -0.0015048100000000 ] - [ 0.0009967400000000, 0.0000000000000000, 0.0015639700000000 ] - [ 0.0002668700000000, 0.0003838500000000, -0.0001057900000000 ] - [ 0.0002668700000000, -0.0003838500000000, -0.0001057900000000 ] - [ -0.0003773200000000, 0.0020062900000000, 0.0004905200000000 ] - [ -0.0003773200000000, -0.0020062900000000, 0.0004905200000000 ] - [ 0.0002603800000000, 0.0000000000000000, -0.0003372400000000 ] - [ 0.0002057600000000, -0.0000588900000000, -0.0003869600000000 ] - [ 0.0002057600000000, 0.0000588900000000, -0.0003869600000000 ] - [ 0.0002752000000000, 0.0000000000000000, -0.0003602700000000 ] - [ -0.0011671800000000, 0.0000000000000000, 0.0002133600000000 ] - [ -0.0001961200000000, -0.0003186700000000, -0.0000889300000000 ] - [ -0.0001961200000000, 0.0003186700000000, -0.0000889300000000 ] - [ -0.0001272100000000, 0.0000000000000000, 0.0003357300000000 ] - [ -0.0001276200000000, -0.0000727100000000, 0.0003066400000000 ] - [ -0.0001276200000000, 0.0000727100000000, 0.0003066400000000 ] - [ -0.0014365800000000, 0.0000000000000000, -0.0000400100000000 ] - [ -0.0002220800000000, 0.0003416900000000, -0.0000094800000000 ] - [ -0.0002220800000000, -0.0003416900000000, -0.0000094800000000 ] - [ -0.0005717400000000, 0.0000000000000000, -0.0006863700000000 ] - [ -0.0001957700000000, 0.0001174400000000, -0.0004310300000000 ] - [ -0.0001957700000000, -0.0001174400000000, -0.0004310300000000 ] - [ -0.0001745800000000, 0.0008063700000000, 0.0001593000000000 ] - [ -0.0001745800000000, -0.0008063700000000, 0.0001593000000000 ] - [ 0.0002624200000000, 0.0000000000000000, 0.0002677200000000 ] - [ 0.0004175900000000, 0.0000259700000000, 0.0008458700000000 ] - [ 0.0004175900000000, -0.0000259700000000, 0.0008458700000000 ] - [ 0.0003857200000000, 0.0000000000000000, 0.0004381500000000 ] - [ -0.0008824700000000, 0.0000000000000000, -0.0005083400000000 ] - [ -0.0007836300000000, 0.0003026400000000, -0.0004855500000000 ] - [ -0.0007836300000000, -0.0003026400000000, -0.0004855500000000 ] - [ -0.0005377900000000, 0.0000000000000000, -0.0002352800000000 ] - [ -0.0004861900000000, 0.0000857400000000, -0.0002968300000000 ] - [ -0.0004861900000000, -0.0000857400000000, -0.0002968300000000 ] - [ 0.0013836400000000, 0.0008663700000000, 0.0015741400000000 ] - [ 0.0013836400000000, -0.0008663700000000, 0.0015741400000000 ] - [ 0.0005813000000000, 0.0000000000000000, 0.0004732900000000 ] - [ 0.0006432500000000, 0.0003866200000000, -0.0000291700000000 ] - [ 0.0006432500000000, -0.0003866200000000, -0.0000291700000000 ] - [ 0.0003188300000000, 0.0000000000000000, 0.0002147600000000 ] - [ -0.0005523800000000, -0.0000234100000000, -0.0000476500000000 ] - [ -0.0005523800000000, 0.0000234100000000, -0.0000476500000000 ] - [ -0.0002308600000000, 0.0000000000000000, -0.0002541600000000 ] - [ -0.0001228800000000, -0.0000103500000000, -0.0002305600000000 ] - [ -0.0001228800000000, 0.0000103500000000, -0.0002305600000000 ] - [ 0.0000249100000000, 0.0000000000000000, -0.0002935300000000 ] - [ 0.4041470700000000, 0.0000000000000000, -0.1142049800000000 ] - [ 0.0004075600000000, -0.0008015500000000, 0.0002020300000000 ] - [ 0.0004075600000000, 0.0008015500000000, 0.0002020300000000 ] - [ -0.0000534200000000, 0.0000000000000000, 0.0002332300000000 ] - [ -0.0001162000000000, -0.0000624800000000, 0.0003454500000000 ] - [ -0.0001162000000000, 0.0000624800000000, 0.0003454500000000 ] - [ 0.0016310500000000, 0.0000000000000000, -0.0005016100000000 ] - [ 0.0011795000000000, -0.0004403000000000, -0.0004818900000000 ] - [ 0.0011795000000000, 0.0004403000000000, -0.0004818900000000 ] - [ 0.0005973900000000, 0.0000000000000000, -0.0000975200000000 ] - [ 0.0003948000000000, -0.0000812000000000, -0.0001471700000000 ] - [ 0.0003948000000000, 0.0000812000000000, -0.0001471700000000 ] - [ 0.0061919600000000, 0.0000000000000000, 0.0129160800000000 ] - [ -0.0008700400000000, 0.0001856800000000, 0.0002152100000000 ] - [ -0.0008700400000000, -0.0001856800000000, 0.0002152100000000 ] - [ -0.0007117100000000, 0.0000000000000000, -0.0003234300000000 ] - [ -0.0005827000000000, 0.0000358900000000, -0.0000390000000000 ] - [ -0.0005827000000000, -0.0000358900000000, -0.0000390000000000 ] - [ 0.0018696100000000, 0.0015368400000000, 0.0004088900000000 ] - [ 0.0018696100000000, -0.0015368400000000, 0.0004088900000000 ] - [ 0.0002528600000000, 0.0000000000000000, -0.0000892900000000 ] - [ 0.0002825400000000, 0.0002551700000000, -0.0003520600000000 ] - [ 0.0002825400000000, -0.0002551700000000, -0.0003520600000000 ] - [ 0.0000124000000000, 0.0000000000000000, -0.0001859100000000 ] - [ 0.0072456600000000, -0.0060100400000000, -0.0026159900000000 ] - [ 0.0072456600000000, 0.0060100400000000, -0.0026159900000000 ] - [ -0.0002722400000000, 0.0000000000000000, 0.0001175000000000 ] - [ -0.0000425100000000, -0.0003483600000000, 0.0005210900000000 ] - [ -0.0000425100000000, 0.0003483600000000, 0.0005210900000000 ] - [ -0.0001113600000000, 0.0000000000000000, 0.0001868700000000 ] - [ -0.4980502200000000, 0.0000000000000000, 0.1013008000000000 ] - [ -0.0014188700000000, 0.0003270000000000, 0.0001660900000000 ] - [ -0.0014188700000000, -0.0003270000000000, 0.0001660900000000 ] - [ -0.0006603700000000, 0.0000000000000000, 0.0001216600000000 ] - [ -0.0000619600000000, -0.0000713800000000, 0.0000668900000000 ] - [ -0.0000619600000000, 0.0000713800000000, 0.0000668900000000 ] - [ 0.0024902400000000, 0.0000000000000000, 0.0002744900000000 ] - [ 0.0016174000000000, 0.0006064300000000, 0.0004876700000000 ] - [ 0.0016174000000000, -0.0006064300000000, 0.0004876700000000 ] - [ 0.0009818400000000, 0.0000000000000000, -0.0002920800000000 ] - [ 0.0008553800000000, 0.0001382300000000, -0.0002457300000000 ] - [ 0.0008553800000000, -0.0001382300000000, -0.0002457300000000 ] - [ 0.0053164200000000, 0.0000000000000000, -0.0110213400000000 ] - [ 0.0002704800000000, 0.0000996000000000, -0.0000171900000000 ] - [ 0.0002704800000000, -0.0000996000000000, -0.0000171900000000 ] - [ -0.0012463700000000, 0.0000000000000000, 0.0042735500000000 ] - [ 0.0002893300000000, -0.0002235100000000, 0.0006866400000000 ] - [ 0.0002893300000000, 0.0002235100000000, 0.0006866400000000 ] - [ 0.0012390800000000, 0.0000000000000000, -0.0002348400000000 ] - [ 0.0009827400000000, 0.0000804200000000, -0.0001113600000000 ] - [ 0.0009827400000000, -0.0000804200000000, -0.0001113600000000 ] - [ 0.0016042900000000, 0.0000000000000000, -0.0003807600000000 ] - [ 0.0014206500000000, -0.0001715300000000, -0.0003412900000000 ] - [ 0.0014206500000000, 0.0001715300000000, -0.0003412900000000 ] - [ 0.0005639400000000, 0.0000013900000000, -0.0013982500000000 ] - [ 0.0005639400000000, -0.0000013900000000, -0.0013982500000000 ] - [ -0.0001938600000000, 0.0000000000000000, -0.0004278800000000 ] - [ 0.0005752900000000, -0.0006545900000000, 0.0003569900000000 ] - [ 0.0005752900000000, 0.0006545900000000, 0.0003569900000000 ] - [ -0.0001983000000000, 0.0000000000000000, 0.0001546700000000 ] - [ -0.0038959400000000, 0.0014387700000000, 0.0006672600000000 ] - [ -0.0038959400000000, -0.0014387700000000, 0.0006672600000000 ] - [ -0.0016236400000000, 0.0000000000000000, -0.0000717300000000 ] - [ -0.0016456200000000, -0.0002392700000000, -0.0006227600000000 ] - [ -0.0016456200000000, 0.0002392700000000, -0.0006227600000000 ] - [ -0.0010771700000000, 0.0000000000000000, -0.0001103500000000 ] - [ 0.0009494300000000, -0.0000947000000000, 0.0003219700000000 ] - [ 0.0009494300000000, 0.0000947000000000, 0.0003219700000000 ] - [ 0.0003585600000000, 0.0000000000000000, 0.0006826100000000 ] - [ -0.0000841900000000, -0.0000419400000000, 0.0003282500000000 ] - [ -0.0000841900000000, 0.0000419400000000, 0.0003282500000000 ] - [ -0.0002302200000000, 0.0000000000000000, 0.0003142800000000 ] - [ 0.0109730900000000, 0.0107712600000000, -0.0009251300000000 ] - [ 0.0109730900000000, -0.0107712600000000, -0.0009251300000000 ] - [ -0.0007798400000000, 0.0000000000000000, -0.0003053300000000 ] - [ -0.0004610600000000, 0.0004119700000000, 0.0000828900000000 ] - [ -0.0004610600000000, -0.0004119700000000, 0.0000828900000000 ] - [ -0.0005090700000000, 0.0000000000000000, -0.0000021700000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0125344700000000, -0.0026231700000000, 0.0010937400000000 ] - [ -0.0125344700000000, 0.0026231700000000, 0.0010937400000000 ] - [ -0.0013233200000000, 0.0000000000000000, 0.0000621700000000 ] - [ -0.0016417500000000, 0.0008091900000000, 0.0009198700000000 ] - [ -0.0016417500000000, -0.0008091900000000, 0.0009198700000000 ] - [ -0.0007794100000000, 0.0000000000000000, 0.0004744400000000 ] - [ 0.0027483200000000, -0.0001144200000000, -0.0000641400000000 ] - [ 0.0027483200000000, 0.0001144200000000, -0.0000641400000000 ] - [ 0.0018493700000000, 0.0000000000000000, -0.0000217400000000 ] - [ 0.0016414300000000, 0.0000171300000000, -0.0004475900000000 ] - [ 0.0016414300000000, -0.0000171300000000, -0.0004475900000000 ] - [ 0.0010792000000000, 0.0000000000000000, -0.0003685500000000 ] - [ 0.0036902400000000, 0.0000000000000000, -0.0013493200000000 ] - [ 0.0028121400000000, 0.0019409700000000, -0.0009144200000000 ] - [ 0.0028121400000000, -0.0019409700000000, -0.0009144200000000 ] - [ 0.0015477900000000, 0.0000000000000000, 0.0012195000000000 ] - [ 0.0003932300000000, 0.0004042600000000, 0.0004571700000000 ] - [ 0.0003932300000000, -0.0004042600000000, 0.0004571700000000 ] - [ -0.0304902200000000, 0.0000000000000000, -0.0135827100000000 ] - [ -0.0019856200000000, -0.0026479800000000, 0.0010617300000000 ] - [ -0.0019856200000000, 0.0026479800000000, 0.0010617300000000 ] - [ -0.0014299200000000, 0.0000000000000000, -0.0019247500000000 ] - [ -0.0006900700000000, -0.0003825600000000, -0.0002947700000000 ] - [ -0.0006900700000000, 0.0003825600000000, -0.0002947700000000 ] - [ 0.0009646400000000, -0.0020251300000000, -0.0011688800000000 ] - [ 0.0009646400000000, 0.0020251300000000, -0.0011688800000000 ] - [ 0.0003980700000000, 0.0000000000000000, -0.0003614600000000 ] - [ 0.0004269300000000, 0.0000610800000000, -0.0003007700000000 ] - [ 0.0004269300000000, -0.0000610800000000, -0.0003007700000000 ] - [ 0.0003294800000000, 0.0000000000000000, -0.0003199700000000 ] - [ 0.0008670300000000, 0.0000000000000000, 0.0003609000000000 ] - [ -0.0001236100000000, 0.0003200600000000, 0.0006738700000000 ] - [ -0.0001236100000000, -0.0003200600000000, 0.0006738700000000 ] - [ -0.0000518900000000, 0.0000000000000000, 0.0001927400000000 ] - [ -0.0001672600000000, 0.0000744800000000, 0.0002679100000000 ] - [ -0.0001672600000000, -0.0000744800000000, 0.0002679100000000 ] - [ 0.0010471600000000, 0.0000000000000000, -0.0005858200000000 ] - [ -0.0000449000000000, -0.0003487800000000, -0.0005559200000000 ] - [ -0.0000449000000000, 0.0003487800000000, -0.0005559200000000 ] - [ 0.0002720500000000, 0.0000000000000000, 0.0001164200000000 ] - [ -0.0000866600000000, -0.0001163700000000, -0.0001331900000000 ] - [ -0.0000866600000000, 0.0001163700000000, -0.0001331900000000 ] - [ 0.0007798800000000, -0.0008065800000000, 0.0005234100000000 ] - [ 0.0007798800000000, 0.0008065800000000, 0.0005234100000000 ] - [ 0.0003431100000000, 0.0000000000000000, 0.0004139000000000 ] - [ 0.0001619200000000, -0.0000270200000000, -0.0001695900000000 ] - [ 0.0001619200000000, 0.0000270200000000, -0.0001695900000000 ] - [ 0.0002207100000000, 0.0000000000000000, 0.0002438000000000 ] - [ 0.0002558100000000, 0.0000000000000000, -0.0001784700000000 ] - [ 0.0001758900000000, -0.0003040600000000, -0.0001938300000000 ] - [ 0.0001758900000000, 0.0003040600000000, -0.0001938300000000 ] - [ -0.0000714100000000, 0.0000000000000000, -0.0004465100000000 ] - [ -0.0001285400000000, -0.0000856800000000, -0.0003847100000000 ] - [ -0.0001285400000000, 0.0000856800000000, -0.0003847100000000 ] - [ -0.0011212300000000, -0.0008499900000000, -0.0010063800000000 ] - [ -0.0011212300000000, 0.0008499900000000, -0.0010063800000000 ] - [ -0.0002970100000000, 0.0000000000000000, 0.0000956000000000 ] - [ -0.0002842600000000, -0.0003853200000000, 0.0006248600000000 ] - [ -0.0002842600000000, 0.0003853200000000, 0.0006248600000000 ] - [ -0.0000286000000000, 0.0000000000000000, 0.0003584800000000 ] - [ 0.0008516200000000, 0.0000245100000000, -0.0005248400000000 ] - [ 0.0008516200000000, -0.0000245100000000, -0.0005248400000000 ] - [ 0.0005097100000000, 0.0000000000000000, -0.0003125800000000 ] - [ 0.0004367300000000, 0.0000129800000000, -0.0003476700000000 ] - [ 0.0004367300000000, -0.0000129800000000, -0.0003476700000000 ] - [ 0.0003023700000000, 0.0000000000000000, -0.0002915500000000 ] - [ -0.3765565400000000, 0.0000000000000000, 0.1042911300000000 ] - [ -0.0010084400000000, 0.0007980700000000, 0.0004814400000000 ] - [ -0.0010084400000000, -0.0007980700000000, 0.0004814400000000 ] - [ -0.0006003700000000, 0.0000000000000000, 0.0004612500000000 ] - [ -0.0004994000000000, 0.0000617600000000, 0.0003397500000000 ] - [ -0.0004994000000000, -0.0000617600000000, 0.0003397500000000 ] - [ -0.0015572100000000, 0.0000000000000000, 0.0002110000000000 ] - [ -0.0011449000000000, 0.0004107300000000, 0.0001752600000000 ] - [ -0.0011449000000000, -0.0004107300000000, 0.0001752600000000 ] - [ -0.0005423400000000, 0.0000000000000000, -0.0002279100000000 ] - [ -0.0003471400000000, 0.0000639700000000, -0.0001838300000000 ] - [ -0.0003471400000000, -0.0000639700000000, -0.0001838300000000 ] - [ -0.0061118500000000, 0.0000000000000000, -0.0124345000000000 ] - [ 0.0009111200000000, -0.0002219100000000, 0.0001194700000000 ] - [ 0.0009111200000000, 0.0002219100000000, 0.0001194700000000 ] - [ 0.0007707600000000, 0.0000000000000000, 0.0006282300000000 ] - [ 0.0006397600000000, -0.0000573700000000, 0.0003456800000000 ] - [ 0.0006397600000000, 0.0000573700000000, 0.0003456800000000 ] - [ -0.0019226300000000, -0.0015685000000000, -0.0007318700000000 ] - [ -0.0019226300000000, 0.0015685000000000, -0.0007318700000000 ] - [ -0.0003095200000000, 0.0000000000000000, -0.0002366600000000 ] - [ -0.0003240800000000, -0.0002653500000000, 0.0000372500000000 ] - [ -0.0003240800000000, 0.0002653500000000, 0.0000372500000000 ] - [ -0.0000694800000000, 0.0000000000000000, -0.0001099300000000 ] - [ -0.0073005300000000, 0.0060029400000000, 0.0029358900000000 ] - [ -0.0073005300000000, -0.0060029400000000, 0.0029358900000000 ] - [ 0.0002184200000000, 0.0000000000000000, 0.0001925500000000 ] - [ -0.0000146500000000, 0.0003114600000000, -0.0002108800000000 ] - [ -0.0000146500000000, -0.0003114600000000, -0.0002108800000000 ] - [ 0.0000568300000000, 0.0000000000000000, 0.0001281400000000 ] - [ 0.4716543200000000, 0.0000000000000000, -0.0894286400000000 ] - [ 0.0021890200000000, -0.0002981400000000, -0.0000405800000000 ] - [ 0.0021890200000000, 0.0002981400000000, -0.0000405800000000 ] - [ 0.0013555200000000, 0.0000000000000000, -0.0000250100000000 ] - [ 0.0008390400000000, 0.0001303700000000, 0.0000149500000000 ] - [ 0.0008390400000000, -0.0001303700000000, 0.0000149500000000 ] - [ -0.0012311700000000, 0.0000000000000000, -0.0007726200000000 ] - [ -0.0004008800000000, -0.0005674600000000, -0.0009547900000000 ] - [ -0.0004008800000000, 0.0005674600000000, -0.0009547900000000 ] - [ 0.0004568800000000, 0.0000000000000000, -0.0002830700000000 ] - [ 0.0003808200000000, -0.0000892800000000, -0.0002449300000000 ] - [ 0.0003808200000000, 0.0000892800000000, -0.0002449300000000 ] - [ -0.0042523300000000, 0.0000000000000000, 0.0115425300000000 ] - [ 0.0010778600000000, -0.0001048300000000, 0.0005283500000000 ] - [ 0.0010778600000000, 0.0001048300000000, 0.0005283500000000 ] - [ 0.0025147900000000, 0.0000000000000000, -0.0038530900000000 ] - [ 0.0009759700000000, 0.0002723400000000, -0.0002035000000000 ] - [ 0.0009759700000000, -0.0002723400000000, -0.0002035000000000 ] - [ -0.0004360600000000, 0.0000000000000000, 0.0001237600000000 ] - [ -0.0002305100000000, -0.0000228200000000, 0.0000170900000000 ] - [ -0.0002305100000000, 0.0000228200000000, 0.0000170900000000 ] - [ -0.0008607600000000, 0.0000000000000000, 0.0002611800000000 ] - [ -0.0006730500000000, 0.0002460300000000, 0.0002422200000000 ] - [ -0.0006730500000000, -0.0002460300000000, 0.0002422200000000 ] - [ -0.0013848400000000, 0.0000551700000000, 0.0014941900000000 ] - [ -0.0013848400000000, -0.0000551700000000, 0.0014941900000000 ] - [ -0.0005839600000000, 0.0000000000000000, 0.0005365700000000 ] - [ -0.0013340100000000, 0.0006976300000000, -0.0002473600000000 ] - [ -0.0013340100000000, -0.0006976300000000, -0.0002473600000000 ] - [ -0.0005932600000000, 0.0000000000000000, -0.0000324200000000 ] - [ 0.0025871200000000, -0.0014083700000000, -0.0011659700000000 ] - [ 0.0025871200000000, 0.0014083700000000, -0.0011659700000000 ] - [ 0.0003717500000000, 0.0000000000000000, -0.0004323200000000 ] - [ 0.0004977100000000, 0.0002722900000000, 0.0001636700000000 ] - [ 0.0004977100000000, -0.0002722900000000, 0.0001636700000000 ] - [ -0.0002056400000000, 0.0000000000000000, -0.0003888000000000 ] - [ -0.0022194500000000, 0.0001416400000000, 0.0001794100000000 ] - [ -0.0022194500000000, -0.0001416400000000, 0.0001794100000000 ] - [ -0.0016467500000000, 0.0000000000000000, -0.0001749500000000 ] - [ -0.0011437800000000, 0.0000872900000000, 0.0001447300000000 ] - [ -0.0011437800000000, -0.0000872900000000, 0.0001447300000000 ] - [ -0.0009825700000000, 0.0000000000000000, 0.0001649200000000 ] - [ -0.0119157000000000, -0.0109198700000000, 0.0008624600000000 ] - [ -0.0119157000000000, 0.0109198700000000, 0.0008624600000000 ] - [ 0.0000902700000000, 0.0000000000000000, 0.0001837600000000 ] - [ -0.0002688400000000, -0.0003364400000000, -0.0002137300000000 ] - [ -0.0002688400000000, 0.0003364400000000, -0.0002137300000000 ] - [ -0.0002899700000000, 0.0000000000000000, -0.0001201500000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0029106100000000, 0.0132716800000000, -0.0010826000000000 ] - [ 0.0031359500000000, 0.0140044400000000, 0.0023239900000000 ] - [ 0.0002009400000000, -0.0064369800000000, 0.0002142400000000 ] - [ 0.0002360700000000, 0.0009265900000000, -0.0018893000000000 ] - [ 0.0001848900000000, 0.0009325600000000, 0.0022728800000000 ] - [ 0.0002090600000000, -0.0015224000000000, 0.0001985300000000 ] - [ 0.0004459300000000, 0.0006173500000000, 0.0001977300000000 ] - [ -0.0000257300000000, 0.0006142900000000, -0.0005946500000000 ] - [ 0.0002063900000000, -0.0012504000000000, -0.0001972800000000 ] - [ 0.0004218400000000, 0.0002505200000000, -0.0005329600000000 ] - [ -0.0000100200000000, 0.0002466000000000, 0.0000956500000000 ] - [ 0.0002079000000000, -0.0005056200000000, -0.0002176900000000 ] - [ -0.0002053500000000, 0.0038010400000000, 0.0002061400000000 ] - [ -0.0017085200000000, -0.0021192300000000, 0.0008929900000000 ] - [ 0.0013017000000000, -0.0021153400000000, -0.0004857800000000 ] - [ -0.0002093300000000, 0.0004600000000000, 0.0002147100000000 ] - [ -0.0003859400000000, -0.0002333500000000, 0.0000637300000000 ] - [ -0.0000422800000000, -0.0002310700000000, 0.0003579100000000 ] - [ -0.0002329600000000, 0.0153668100000000, -0.0001859700000000 ] - [ 0.0023062200000000, -0.0043858700000000, 0.0017593100000000 ] - [ -0.0027074100000000, -0.0044008800000000, -0.0021723200000000 ] - [ -0.0002076200000000, 0.0024819100000000, -0.0002154700000000 ] - [ 0.0004600500000000, -0.0012672000000000, -0.0017202600000000 ] - [ -0.0008700800000000, -0.0012549800000000, 0.0012929400000000 ] - [ -0.0002490200000000, 0.0016550800000000, 0.0003373600000000 ] - [ 0.0008650200000000, 0.0016422600000000, -0.0010183800000000 ] - [ 0.0003215500000000, -0.0002375100000000, -0.0003465200000000 ] - [ 0.0002489200000000, 0.0000363900000000, -0.0003546000000000 ] - [ 0.0003863200000000, 0.0000361400000000, -0.0003386700000000 ] - [ 0.0003155400000000, -0.0000765400000000, -0.0003458400000000 ] - [ -0.0001515400000000, 0.0004828200000000, 0.0002877800000000 ] - [ -0.0004632400000000, -0.0002415600000000, 0.0002078800000000 ] - [ 0.0001389500000000, -0.0002441400000000, 0.0003762700000000 ] - [ -0.0001361500000000, 0.0000954600000000, 0.0002806000000000 ] - [ -0.0002693000000000, -0.0000444400000000, 0.0003803600000000 ] - [ -0.0000435300000000, -0.0000456700000000, 0.0001962300000000 ] - [ -0.0001719600000000, 0.0003306000000000, -0.0002948000000000 ] - [ 0.0004321600000000, 0.0002514100000000, -0.0000458800000000 ] - [ -0.0007307300000000, 0.0002491300000000, -0.0005217900000000 ] - [ -0.0001539900000000, -0.0000041800000000, -0.0002893000000000 ] - [ -0.0000134000000000, 0.0000390900000000, -0.0003109600000000 ] - [ -0.0002889400000000, 0.0000372100000000, -0.0002633700000000 ] - [ 0.0003084900000000, 0.0003424200000000, 0.0004791200000000 ] - [ 0.0003216900000000, 0.0003483600000000, 0.0002123800000000 ] - [ 0.0003127400000000, -0.0005782400000000, 0.0003453800000000 ] - [ 0.0002647200000000, 0.0001156200000000, -0.0000585800000000 ] - [ 0.0003553600000000, 0.0001170300000000, 0.0007453700000000 ] - [ 0.0003151300000000, -0.0002183500000000, 0.0003450000000000 ] - [ -0.0003169500000000, 0.0002041200000000, -0.0003461700000000 ] - [ -0.0003580400000000, -0.0000704100000000, -0.0003701500000000 ] - [ -0.0002755600000000, -0.0000728800000000, -0.0003219700000000 ] - [ -0.0003096800000000, 0.0001194700000000, -0.0003429800000000 ] - [ -0.0003139000000000, -0.0000619800000000, -0.0004006500000000 ] - [ -0.0003160100000000, -0.0000614300000000, -0.0002878300000000 ] - [ 0.0023892500000000, -0.0011920500000000, -0.0020926200000000 ] - [ -0.0020914300000000, -0.0011769200000000, 0.0026712800000000 ] - [ 0.0001501300000000, -0.0004929100000000, 0.0002886400000000 ] - [ 0.0007562800000000, 0.0000411400000000, 0.0001653100000000 ] - [ -0.0004272800000000, 0.0000416000000000, 0.0004249000000000 ] - [ 0.0001513900000000, -0.0001929800000000, 0.0002870800000000 ] - [ 0.0000739200000000, 0.0000358000000000, -0.0003459300000000 ] - [ 0.0002392600000000, 0.0000342200000000, -0.0002296400000000 ] - [ 0.0001502800000000, -0.0000936300000000, -0.0002862500000000 ] - [ 0.0000942900000000, 0.0000143200000000, -0.0002534900000000 ] - [ 0.0002239100000000, 0.0000124100000000, -0.0003255700000000 ] - [ 0.0001565500000000, -0.0000230800000000, -0.0002892900000000 ] - [ -0.0022881800000000, 0.0101325700000000, 0.0010180800000000 ] - [ -0.0010069600000000, -0.0012894700000000, 0.0003828100000000 ] - [ 0.0003709400000000, -0.0012813500000000, 0.0003092900000000 ] - [ -0.0003214700000000, 0.0001539000000000, 0.0003464100000000 ] - [ -0.0004230000000000, -0.0000748000000000, 0.0003456700000000 ] - [ -0.0002084800000000, -0.0000740700000000, 0.0003434200000000 ] - [ 0.0000083300000000, -0.0006229400000000, -0.0001413200000000 ] - [ -0.0006879500000000, 0.0004225900000000, -0.0000320300000000 ] - [ 0.0006892200000000, 0.0004476800000000, -0.0002640400000000 ] - [ 0.0000037400000000, -0.0001985000000000, -0.0001517000000000 ] - [ -0.0000639700000000, 0.0000847700000000, -0.0002041400000000 ] - [ 0.0000571600000000, 0.0001139200000000, -0.0001093400000000 ] - [ -0.0000255700000000, -0.0044827500000000, 0.0001254900000000 ] - [ 0.0011470100000000, 0.0011953700000000, 0.0007341300000000 ] - [ -0.0011525800000000, 0.0012088900000000, -0.0004039700000000 ] - [ 0.0000081500000000, -0.0007265600000000, 0.0001413300000000 ] - [ 0.0001514700000000, 0.0003597000000000, -0.0000964900000000 ] - [ -0.0001521000000000, 0.0003924900000000, 0.0003795000000000 ] - [ 0.0000223200000000, -0.0007426800000000, 0.0000577400000000 ] - [ -0.0000025400000000, -0.0007403900000000, -0.0003659900000000 ] - [ -0.0000050000000000, 0.0005693700000000, -0.0001534800000000 ] - [ 0.0001393300000000, -0.0002339600000000, -0.0002086200000000 ] - [ -0.0001515900000000, -0.0002239100000000, -0.0000878000000000 ] - [ -0.0000125800000000, 0.0005334500000000, -0.0001414800000000 ] - [ -0.0068590200000000, 0.0026310700000000, 0.0022042500000000 ] - [ 0.0068900200000000, 0.0026368100000000, -0.0019189900000000 ] - [ -0.0000008000000000, 0.0010646800000000, 0.0001452400000000 ] - [ -0.0001828700000000, -0.0001665500000000, 0.0001380200000000 ] - [ 0.0001669800000000, -0.0001449000000000, 0.0001659500000000 ] - [ -0.0000064000000000, 0.0002653400000000, 0.0001525000000000 ] - [ 0.0026389800000000, -0.0683502100000000, -0.0014018300000000 ] - [ 0.0000420000000000, 0.0054967300000000, 0.0000654200000000 ] - [ 0.0006561900000000, 0.0053854300000000, 0.0000495500000000 ] - [ 0.0003651300000000, -0.0010112900000000, 0.0000612800000000 ] - [ 0.0004588700000000, 0.0004938600000000, 0.0001384900000000 ] - [ 0.0002645600000000, 0.0004399600000000, -0.0000335300000000 ] - [ 0.0006307400000000, -0.0010152700000000, -0.0002396900000000 ] - [ 0.0012393600000000, 0.0006157200000000, 0.0001491500000000 ] - [ 0.0000216800000000, 0.0005786500000000, -0.0006201500000000 ] - [ 0.0006419700000000, -0.0003089900000000, -0.0002475700000000 ] - [ 0.0007366800000000, 0.0001686500000000, -0.0003265100000000 ] - [ 0.0005165000000000, 0.0001313200000000, -0.0001497800000000 ] - [ 0.0005801700000000, -0.0055489600000000, 0.0002810400000000 ] - [ -0.0026103800000000, 0.0048075200000000, 0.0013818100000000 ] - [ 0.0038619400000000, 0.0047400400000000, -0.0008867800000000 ] - [ 0.0006288200000000, -0.0010201500000000, 0.0002451700000000 ] - [ 0.0002711700000000, 0.0007102400000000, -0.0004307900000000 ] - [ 0.0009922900000000, 0.0006738600000000, 0.0008954100000000 ] - [ 0.0003656200000000, -0.0002509700000000, -0.0000545700000000 ] - [ 0.0002967400000000, 0.0001542600000000, 0.0000862000000000 ] - [ 0.0004059600000000, 0.0000968900000000, -0.0001879100000000 ] - [ 0.0003605800000000, -0.0003359100000000, -0.0000679700000000 ] - [ 0.0005517600000000, 0.0001518600000000, -0.0002818600000000 ] - [ 0.0001548200000000, 0.0000983300000000, 0.0001562700000000 ] - [ -0.0010448600000000, -0.0002844700000000, 0.0010857000000000 ] - [ 0.0003266300000000, -0.0003428000000000, -0.0009885600000000 ] - [ -0.0003563600000000, 0.0005524700000000, 0.0000556900000000 ] - [ -0.0003885400000000, -0.0002794700000000, -0.0000739200000000 ] - [ -0.0003252600000000, -0.0003483300000000, 0.0001990900000000 ] - [ -0.0003561400000000, 0.0005533300000000, 0.0000702100000000 ] - [ 0.0010756500000000, 0.0036307600000000, 0.0085993000000000 ] - [ -0.0023501900000000, 0.0035734300000000, -0.0091489000000000 ] - [ -0.0006368900000000, 0.0017980200000000, -0.0002525400000000 ] - [ -0.0006477000000000, -0.0009679300000000, -0.0039053500000000 ] - [ -0.0005660600000000, -0.0010228900000000, 0.0034918000000000 ] - [ -0.0006302000000000, 0.0010894800000000, -0.0002367400000000 ] - [ -0.0009586700000000, -0.0003638200000000, 0.0003545600000000 ] - [ -0.0002990800000000, -0.0004078700000000, 0.0001179900000000 ] - [ -0.0006409000000000, 0.0008917600000000, 0.0002458100000000 ] - [ -0.0005658500000000, -0.0000652400000000, 0.0002421400000000 ] - [ -0.0006793300000000, -0.0001083100000000, 0.0002335900000000 ] - [ -0.0006296000000000, 0.0001749100000000, 0.0002439100000000 ] - [ 0.0104635800000000, 0.0017696400000000, 0.0003779600000000 ] - [ -0.0112236300000000, 0.0017150800000000, -0.0005063700000000 ] - [ -0.0003572300000000, 0.0019026100000000, -0.0000688700000000 ] - [ 0.0000293000000000, -0.0002584700000000, -0.0000870700000000 ] - [ -0.0007427900000000, -0.0003268900000000, -0.0000255700000000 ] - [ -0.0003639500000000, 0.0006099900000000, -0.0000613000000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0042397200000000, -0.0035463100000000, 0.0186808300000000 ] - [ 0.0042397200000000, 0.0035463100000000, 0.0186808300000000 ] - [ -0.0002267500000000, 0.0000000000000000, 0.0025829200000000 ] - [ 0.0004812800000000, -0.0008128500000000, -0.0049850900000000 ] - [ 0.0004812800000000, 0.0008128500000000, -0.0049850900000000 ] - [ 0.0003400000000000, 0.0000000000000000, -0.0014650000000000 ] - [ -0.0002737900000000, 0.0003187100000000, 0.0011722600000000 ] - [ -0.0002737900000000, -0.0003187100000000, 0.0011722600000000 ] - [ 0.0001261600000000, 0.0000000000000000, 0.0007496400000000 ] - [ -0.0000911200000000, -0.0001031000000000, -0.0014134600000000 ] - [ -0.0000911200000000, 0.0001031000000000, -0.0014134600000000 ] - [ 0.0000493600000000, 0.0000000000000000, -0.0011391900000000 ] - [ 0.0008601400000000, 0.0000000000000000, 0.0008170700000000 ] - [ 0.0004011900000000, 0.0007343600000000, 0.0004505000000000 ] - [ 0.0004011900000000, -0.0007343600000000, 0.0004505000000000 ] - [ -0.0022917200000000, 0.0000000000000000, -0.0018885400000000 ] - [ -0.0007742300000000, -0.0005336600000000, -0.0007110100000000 ] - [ -0.0007742300000000, 0.0005336600000000, -0.0007110100000000 ] - [ 0.0015879300000000, 0.0000000000000000, 0.0188349300000000 ] - [ -0.0015770200000000, 0.0035269400000000, 0.0026789800000000 ] - [ -0.0015770200000000, -0.0035269400000000, 0.0026789800000000 ] - [ 0.0008331900000000, 0.0000000000000000, -0.0047140800000000 ] - [ 0.0003433600000000, -0.0007438900000000, -0.0028173600000000 ] - [ 0.0003433600000000, 0.0007438900000000, -0.0028173600000000 ] - [ 0.0002183000000000, 0.0001226600000000, -0.0003951200000000 ] - [ 0.0002183000000000, -0.0001226600000000, -0.0003951200000000 ] - [ 0.0003447300000000, 0.0000000000000000, -0.0001124700000000 ] - [ 0.0003226300000000, -0.0000540000000000, -0.0005022200000000 ] - [ 0.0003226300000000, 0.0000540000000000, -0.0005022200000000 ] - [ 0.0003403600000000, 0.0000000000000000, -0.0005049000000000 ] - [ -0.0016705400000000, 0.0000000000000000, 0.0015843500000000 ] - [ -0.0005123000000000, 0.0000576000000000, 0.0008159400000000 ] - [ -0.0005123000000000, -0.0000576000000000, 0.0008159400000000 ] - [ 0.0003182400000000, 0.0000000000000000, -0.0001647500000000 ] - [ 0.0000295300000000, -0.0000477600000000, -0.0000100000000000 ] - [ 0.0000295300000000, 0.0000477600000000, -0.0000100000000000 ] - [ 0.0007998200000000, 0.0000000000000000, 0.0012107400000000 ] - [ 0.0003611900000000, 0.0005167700000000, 0.0004697300000000 ] - [ 0.0003611900000000, -0.0005167700000000, 0.0004697300000000 ] - [ -0.0006138600000000, 0.0000000000000000, -0.0006951300000000 ] - [ -0.0003320800000000, -0.0000421500000000, -0.0005136400000000 ] - [ -0.0003320800000000, 0.0000421500000000, -0.0005136400000000 ] - [ -0.0006223800000000, 0.0012066600000000, 0.0002800100000000 ] - [ -0.0006223800000000, -0.0012066600000000, 0.0002800100000000 ] - [ -0.0000847000000000, 0.0000000000000000, 0.0002438100000000 ] - [ 0.0005492800000000, -0.0001642000000000, 0.0002515200000000 ] - [ 0.0005492800000000, 0.0001642000000000, 0.0002515200000000 ] - [ 0.0004642600000000, 0.0000000000000000, 0.0003891100000000 ] - [ -0.0006720300000000, 0.0000000000000000, -0.0004536500000000 ] - [ -0.0006250900000000, 0.0002964300000000, -0.0004375000000000 ] - [ -0.0006250900000000, -0.0002964300000000, -0.0004375000000000 ] - [ -0.0001643500000000, 0.0000000000000000, -0.0003054600000000 ] - [ -0.0001574500000000, -0.0000137300000000, -0.0002903300000000 ] - [ -0.0001574500000000, 0.0000137300000000, -0.0002903300000000 ] - [ 0.0033623800000000, -0.0028340000000000, -0.0005789600000000 ] - [ 0.0033623800000000, 0.0028340000000000, -0.0005789600000000 ] - [ 0.0002639900000000, 0.0000000000000000, 0.0005361200000000 ] - [ 0.0000083400000000, 0.0004109800000000, -0.0002986200000000 ] - [ 0.0000083400000000, -0.0004109800000000, -0.0002986200000000 ] - [ 0.0000922600000000, 0.0000000000000000, 0.0000269600000000 ] - [ -0.0002374000000000, 0.0000106100000000, 0.0000239700000000 ] - [ -0.0002374000000000, -0.0000106100000000, 0.0000239700000000 ] - [ 0.0000519200000000, 0.0000000000000000, -0.0001304500000000 ] - [ 0.0003226900000000, -0.0000139200000000, -0.0004882700000000 ] - [ 0.0003226900000000, 0.0000139200000000, -0.0004882700000000 ] - [ 0.0003127300000000, 0.0000000000000000, -0.0004695600000000 ] - [ -0.1100459200000000, 0.0000000000000000, 0.0526681000000000 ] - [ -0.0004461900000000, 0.0004194600000000, 0.0007257500000000 ] - [ -0.0004461900000000, -0.0004194600000000, 0.0007257500000000 ] - [ -0.0001856600000000, 0.0000000000000000, -0.0001818400000000 ] - [ -0.0001953100000000, -0.0001234900000000, 0.0001052300000000 ] - [ -0.0001953100000000, 0.0001234900000000, 0.0001052300000000 ] - [ -0.0000383900000000, 0.0000000000000000, -0.0006710100000000 ] - [ -0.0000342000000000, -0.0000419700000000, -0.0005191600000000 ] - [ -0.0000342000000000, 0.0000419700000000, -0.0005191600000000 ] - [ 0.0002327000000000, 0.0000000000000000, 0.0002423700000000 ] - [ 0.0001115400000000, -0.0000642300000000, 0.0001943800000000 ] - [ 0.0001115400000000, 0.0000642300000000, 0.0001943800000000 ] - [ 0.0146205600000000, 0.0000000000000000, 0.0160208500000000 ] - [ 0.0008951600000000, 0.0010006100000000, 0.0000796300000000 ] - [ 0.0008951600000000, -0.0010006100000000, 0.0000796300000000 ] - [ -0.0006868000000000, 0.0000000000000000, 0.0011355100000000 ] - [ -0.0003853700000000, -0.0003636900000000, 0.0005673700000000 ] - [ -0.0003853700000000, 0.0003636900000000, 0.0005673700000000 ] - [ 0.0019931500000000, 0.0020194400000000, 0.0001740100000000 ] - [ 0.0019931500000000, -0.0020194400000000, 0.0001740100000000 ] - [ 0.0001970100000000, 0.0000000000000000, -0.0002286500000000 ] - [ -0.0005588600000000, -0.0002350700000000, 0.0001644900000000 ] - [ -0.0005588600000000, 0.0002350700000000, 0.0001644900000000 ] - [ -0.0005191800000000, 0.0000000000000000, 0.0001700900000000 ] - [ -0.0028808500000000, 0.0018365900000000, -0.0003127600000000 ] - [ -0.0028808500000000, -0.0018365900000000, -0.0003127600000000 ] - [ 0.0000632000000000, 0.0000000000000000, -0.0001566900000000 ] - [ 0.0001348400000000, -0.0003824100000000, 0.0009976200000000 ] - [ 0.0001348400000000, 0.0003824100000000, 0.0009976200000000 ] - [ -0.0000533200000000, 0.0000000000000000, 0.0005002700000000 ] - [ 0.0964023500000000, 0.0000000000000000, -0.1381175800000000 ] - [ 0.0005027900000000, 0.0000114200000000, -0.0028767000000000 ] - [ 0.0005027900000000, -0.0000114200000000, -0.0028767000000000 ] - [ 0.0004519400000000, 0.0000000000000000, 0.0021866100000000 ] - [ 0.0004183200000000, -0.0000552600000000, 0.0013874500000000 ] - [ 0.0004183200000000, 0.0000552600000000, 0.0013874500000000 ] - [ 0.0012491800000000, 0.0000000000000000, -0.0016058500000000 ] - [ 0.0004568900000000, -0.0001568600000000, -0.0011387100000000 ] - [ 0.0004568900000000, 0.0001568600000000, -0.0011387100000000 ] - [ 0.0006158800000000, 0.0000000000000000, 0.0005941200000000 ] - [ 0.0007175400000000, 0.0000738400000000, 0.0004272200000000 ] - [ 0.0007175400000000, -0.0000738400000000, 0.0004272200000000 ] - [ -0.0076683800000000, 0.0000000000000000, 0.0076870000000000 ] - [ -0.0028700300000000, 0.0035676000000000, 0.0006357600000000 ] - [ -0.0028700300000000, -0.0035676000000000, 0.0006357600000000 ] - [ 0.0006759900000000, 0.0000000000000000, 0.0030867600000000 ] - [ 0.0010754700000000, -0.0008509100000000, 0.0011857500000000 ] - [ 0.0010754700000000, 0.0008509100000000, 0.0011857500000000 ] - [ 0.0005859300000000, 0.0000000000000000, -0.0003078600000000 ] - [ 0.0004527100000000, 0.0001690600000000, -0.0002715000000000 ] - [ 0.0004527100000000, -0.0001690600000000, -0.0002715000000000 ] - [ 0.0007107200000000, 0.0000000000000000, 0.0003135500000000 ] - [ 0.0006730600000000, -0.0001859300000000, 0.0002999000000000 ] - [ 0.0006730600000000, 0.0001859300000000, 0.0002999000000000 ] - [ -0.0007127600000000, 0.0001644800000000, 0.0002474100000000 ] - [ -0.0007127600000000, -0.0001644800000000, 0.0002474100000000 ] - [ -0.0004952300000000, 0.0000000000000000, 0.0000949900000000 ] - [ 0.0010648000000000, -0.0010160200000000, 0.0002473200000000 ] - [ 0.0010648000000000, 0.0010160200000000, 0.0002473200000000 ] - [ 0.0000781300000000, 0.0000000000000000, 0.0000940500000000 ] - [ 0.0009853800000000, 0.0096527800000000, 0.0084884300000000 ] - [ 0.0009853800000000, -0.0096527800000000, 0.0084884300000000 ] - [ -0.0007288600000000, 0.0000000000000000, -0.0004754800000000 ] - [ -0.0012290900000000, -0.0006817700000000, 0.0024872400000000 ] - [ -0.0012290900000000, 0.0006817700000000, 0.0024872400000000 ] - [ -0.0005610100000000, 0.0000000000000000, 0.0003989900000000 ] - [ -0.0006451600000000, 0.0000093200000000, -0.0004162900000000 ] - [ -0.0006451600000000, -0.0000093200000000, -0.0004162900000000 ] - [ -0.0007003600000000, 0.0000000000000000, -0.0002894600000000 ] - [ -0.0003732500000000, -0.0000615100000000, 0.0008500500000000 ] - [ -0.0003732500000000, 0.0000615100000000, 0.0008500500000000 ] - [ -0.0004283000000000, 0.0000000000000000, 0.0007176500000000 ] - [ -0.0012690700000000, 0.0004518000000000, -0.0056851800000000 ] - [ -0.0012690700000000, -0.0004518000000000, -0.0056851800000000 ] - [ -0.0006275800000000, 0.0000000000000000, -0.0017555000000000 ] - [ -0.0002455800000000, 0.0000064300000000, 0.0015138500000000 ] - [ -0.0002455800000000, -0.0000064300000000, 0.0015138500000000 ] - [ -0.0003516200000000, 0.0000000000000000, 0.0010651300000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0039726600000000, 0.0027897200000000, -0.0176996100000000 ] - [ -0.0039726600000000, -0.0027897200000000, -0.0176996100000000 ] - [ 0.0006295000000000, 0.0000000000000000, -0.0021392900000000 ] - [ -0.0000547600000000, 0.0008146500000000, 0.0054105400000000 ] - [ -0.0000547600000000, -0.0008146500000000, 0.0054105400000000 ] - [ 0.0000880000000000, 0.0000000000000000, 0.0018784800000000 ] - [ 0.0007129800000000, -0.0003176200000000, -0.0015757100000000 ] - [ 0.0007129800000000, 0.0003176200000000, -0.0015757100000000 ] - [ 0.0003050600000000, 0.0000000000000000, -0.0011563000000000 ] - [ 0.0005251000000000, 0.0001181000000000, 0.0009686300000000 ] - [ 0.0005251000000000, -0.0001181000000000, 0.0009686300000000 ] - [ 0.0003870700000000, 0.0000000000000000, 0.0007088000000000 ] - [ -0.0012617400000000, 0.0000000000000000, -0.0004111800000000 ] - [ -0.0008059000000000, -0.0007172100000000, -0.0000405000000000 ] - [ -0.0008059000000000, 0.0007172100000000, -0.0000405000000000 ] - [ 0.0018459800000000, 0.0000000000000000, 0.0023178800000000 ] - [ 0.0003327900000000, 0.0005219900000000, 0.0011361500000000 ] - [ 0.0003327900000000, -0.0005219900000000, 0.0011361500000000 ] - [ -0.0027875300000000, 0.0000000000000000, -0.0198194200000000 ] - [ 0.0011435200000000, -0.0035415400000000, -0.0031271500000000 ] - [ 0.0011435200000000, 0.0035415400000000, -0.0031271500000000 ] - [ -0.0012692100000000, 0.0000000000000000, 0.0043187300000000 ] - [ -0.0007753500000000, 0.0007432700000000, 0.0024002700000000 ] - [ -0.0007753500000000, -0.0007432700000000, 0.0024002700000000 ] - [ 0.0003880500000000, -0.0001176900000000, -0.0002859800000000 ] - [ 0.0003880500000000, 0.0001176900000000, -0.0002859800000000 ] - [ 0.0002813900000000, 0.0000000000000000, -0.0005754500000000 ] - [ 0.0002964700000000, 0.0000545200000000, -0.0001840800000000 ] - [ 0.0002964700000000, -0.0000545200000000, -0.0001840800000000 ] - [ 0.0002711700000000, 0.0000000000000000, -0.0001790600000000 ] - [ 0.0013506800000000, 0.0000000000000000, -0.0009938600000000 ] - [ 0.0001877700000000, -0.0000543900000000, -0.0002300300000000 ] - [ 0.0001877700000000, 0.0000543900000000, -0.0002300300000000 ] - [ -0.0005841200000000, 0.0000000000000000, 0.0007228700000000 ] - [ -0.0003478400000000, 0.0000489100000000, 0.0005874200000000 ] - [ -0.0003478400000000, -0.0000489100000000, 0.0005874200000000 ] - [ -0.0011510600000000, 0.0000000000000000, -0.0017977400000000 ] - [ -0.0006625700000000, -0.0005131100000000, -0.0010383900000000 ] - [ -0.0006625700000000, 0.0005131100000000, -0.0010383900000000 ] - [ 0.0002960400000000, 0.0000000000000000, 0.0001131700000000 ] - [ 0.0000169400000000, 0.0000439800000000, -0.0000639500000000 ] - [ 0.0000169400000000, -0.0000439800000000, -0.0000639500000000 ] - [ 0.0012292000000000, -0.0011998900000000, 0.0004083800000000 ] - [ 0.0012292000000000, 0.0011998900000000, 0.0004083800000000 ] - [ 0.0006923000000000, 0.0000000000000000, 0.0004415000000000 ] - [ 0.0000460400000000, 0.0001646000000000, 0.0004238700000000 ] - [ 0.0000460400000000, -0.0001646000000000, 0.0004238700000000 ] - [ 0.0001416900000000, 0.0000000000000000, 0.0002933400000000 ] - [ 0.0000574000000000, 0.0000000000000000, -0.0002320200000000 ] - [ 0.0000198900000000, -0.0002976600000000, -0.0002450700000000 ] - [ 0.0000198900000000, 0.0002976600000000, -0.0002450700000000 ] - [ -0.0004430100000000, 0.0000000000000000, -0.0003780100000000 ] - [ -0.0004560700000000, 0.0000140700000000, -0.0003940300000000 ] - [ -0.0004560700000000, -0.0000140700000000, -0.0003940300000000 ] - [ -0.0030861000000000, 0.0028558700000000, 0.0011319700000000 ] - [ -0.0030861000000000, -0.0028558700000000, 0.0011319700000000 ] - [ 0.0000475000000000, 0.0000000000000000, 0.0000393600000000 ] - [ 0.0003302200000000, -0.0004099600000000, 0.0008843200000000 ] - [ 0.0003302200000000, 0.0004099600000000, 0.0008843200000000 ] - [ 0.0002225300000000, 0.0000000000000000, 0.0005527800000000 ] - [ 0.0005590300000000, -0.0000089200000000, -0.0006038500000000 ] - [ 0.0005590300000000, 0.0000089200000000, -0.0006038500000000 ] - [ 0.0002534400000000, 0.0000000000000000, -0.0004438000000000 ] - [ -0.0000048800000000, 0.0000158000000000, -0.0000885900000000 ] - [ -0.0000048800000000, -0.0000158000000000, -0.0000885900000000 ] - [ 0.0000157800000000, 0.0000000000000000, -0.0001131600000000 ] - [ 0.1089767900000000, 0.0000000000000000, -0.0495418500000000 ] - [ -0.0001622400000000, -0.0004109400000000, -0.0000418500000000 ] - [ -0.0001622400000000, 0.0004109400000000, -0.0000418500000000 ] - [ -0.0004417000000000, 0.0000000000000000, 0.0008723300000000 ] - [ -0.0004185500000000, 0.0001226800000000, 0.0005804700000000 ] - [ -0.0004185500000000, -0.0001226800000000, 0.0005804700000000 ] - [ 0.0001326600000000, 0.0000000000000000, 0.0003684000000000 ] - [ 0.0000995000000000, 0.0000128500000000, 0.0002075700000000 ] - [ 0.0000995000000000, -0.0000128500000000, 0.0002075700000000 ] - [ -0.0001547100000000, 0.0000000000000000, -0.0005628300000000 ] - [ -0.0000335900000000, 0.0000439400000000, -0.0005232600000000 ] - [ -0.0000335900000000, -0.0000439400000000, -0.0005232600000000 ] - [ -0.0142472900000000, 0.0000000000000000, -0.0154381200000000 ] - [ -0.0008165100000000, -0.0010284600000000, 0.0002506700000000 ] - [ -0.0008165100000000, 0.0010284600000000, 0.0002506700000000 ] - [ 0.0007722900000000, 0.0000000000000000, -0.0008312100000000 ] - [ 0.0004739700000000, 0.0003403600000000, -0.0002552200000000 ] - [ 0.0004739700000000, -0.0003403600000000, -0.0002552200000000 ] - [ -0.0020801800000000, -0.0020513800000000, -0.0005084800000000 ] - [ -0.0020801800000000, 0.0020513800000000, -0.0005084800000000 ] - [ -0.0002819200000000, 0.0000000000000000, -0.0000980100000000 ] - [ 0.0004770100000000, 0.0002157800000000, -0.0004782400000000 ] - [ 0.0004770100000000, -0.0002157800000000, -0.0004782400000000 ] - [ 0.0004277900000000, 0.0000000000000000, -0.0004694300000000 ] - [ 0.0027458600000000, -0.0018161900000000, 0.0006598600000000 ] - [ 0.0027458600000000, 0.0018161900000000, 0.0006598600000000 ] - [ -0.0001480300000000, 0.0000000000000000, 0.0004673200000000 ] - [ -0.0002161400000000, 0.0003527400000000, -0.0006759900000000 ] - [ -0.0002161400000000, -0.0003527400000000, -0.0006759900000000 ] - [ -0.0000354200000000, 0.0000000000000000, -0.0001817700000000 ] - [ -0.0939871400000000, 0.0000000000000000, 0.1350883400000000 ] - [ 0.0002823400000000, 0.0000249200000000, 0.0029739300000000 ] - [ 0.0002823400000000, -0.0000249200000000, 0.0029739300000000 ] - [ 0.0003159000000000, 0.0000000000000000, -0.0020830800000000 ] - [ 0.0003614200000000, 0.0001138000000000, -0.0012962200000000 ] - [ 0.0003614200000000, -0.0001138000000000, -0.0012962200000000 ] - [ -0.0000493500000000, 0.0000000000000000, 0.0011183900000000 ] - [ 0.0007358000000000, 0.0001973200000000, 0.0006692600000000 ] - [ 0.0007358000000000, -0.0001973200000000, 0.0006692600000000 ] - [ 0.0006504400000000, 0.0000000000000000, -0.0010815000000000 ] - [ 0.0004803100000000, -0.0000356300000000, -0.0008908200000000 ] - [ 0.0004803100000000, 0.0000356300000000, -0.0008908200000000 ] - [ 0.0087480800000000, 0.0000000000000000, -0.0071160100000000 ] - [ 0.0040676300000000, -0.0035014400000000, -0.0001549600000000 ] - [ 0.0040676300000000, 0.0035014400000000, -0.0001549600000000 ] - [ 0.0005130500000000, 0.0000000000000000, -0.0026037600000000 ] - [ 0.0001206700000000, 0.0008956500000000, -0.0007309400000000 ] - [ 0.0001206700000000, -0.0008956500000000, -0.0007309400000000 ] - [ 0.0002115400000000, 0.0000000000000000, 0.0002028200000000 ] - [ 0.0003214700000000, -0.0001087600000000, 0.0001797200000000 ] - [ 0.0003214700000000, 0.0001087600000000, 0.0001797200000000 ] - [ 0.0000675700000000, 0.0000000000000000, -0.0004255700000000 ] - [ 0.0000953200000000, 0.0002476900000000, -0.0003953100000000 ] - [ 0.0000953200000000, -0.0002476900000000, -0.0003953100000000 ] - [ -0.0000816100000000, -0.0001029300000000, -0.0001458700000000 ] - [ -0.0000816100000000, 0.0001029300000000, -0.0001458700000000 ] - [ -0.0002943400000000, 0.0000000000000000, 0.0000166500000000 ] - [ -0.0018300600000000, 0.0010630900000000, -0.0001480000000000 ] - [ -0.0018300600000000, -0.0010630900000000, -0.0001480000000000 ] - [ -0.0008724200000000, 0.0000000000000000, 0.0000142500000000 ] - [ -0.0022280800000000, -0.0097575200000000, -0.0090653500000000 ] - [ -0.0022280800000000, 0.0097575200000000, -0.0090653500000000 ] - [ -0.0004766200000000, 0.0000000000000000, -0.0000023800000000 ] - [ 0.0000439700000000, 0.0007142400000000, -0.0029469500000000 ] - [ 0.0000439700000000, -0.0007142400000000, -0.0029469500000000 ] - [ -0.0006463000000000, 0.0000000000000000, -0.0008807600000000 ] - [ -0.0005662400000000, 0.0000339100000000, 0.0008811600000000 ] - [ -0.0005662400000000, -0.0000339100000000, 0.0008811600000000 ] - [ -0.0005260300000000, 0.0000000000000000, 0.0007682900000000 ] - [ -0.0008253900000000, 0.0001068700000000, -0.0003780900000000 ] - [ -0.0008253900000000, -0.0001068700000000, -0.0003780900000000 ] - [ -0.0007585800000000, 0.0000000000000000, -0.0002430900000000 ] - [ 0.0005058800000000, -0.0004340700000000, 0.0055713100000000 ] - [ 0.0005058800000000, 0.0004340700000000, 0.0055713100000000 ] - [ -0.0001340400000000, 0.0000000000000000, 0.0016523200000000 ] - [ -0.0005268400000000, 0.0000586300000000, -0.0016073000000000 ] - [ -0.0005268400000000, -0.0000586300000000, -0.0016073000000000 ] - [ -0.0004462800000000, 0.0000000000000000, -0.0011687900000000 ]- atom: 103 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0034828300000000, -0.0021461900000000, -0.0002924400000000 ] - [ -0.0034828300000000, 0.0021461900000000, -0.0002924400000000 ] - [ -0.0010850100000000, 0.0000000000000000, 0.0004079700000000 ] - [ -0.0006069900000000, -0.0001678900000000, -0.0001831100000000 ] - [ -0.0006069900000000, 0.0001678900000000, -0.0001831100000000 ] - [ -0.0005072600000000, 0.0000000000000000, 0.0000111300000000 ] - [ 0.0234545700000000, -0.0116068000000000, 0.0038871600000000 ] - [ 0.0234545700000000, 0.0116068000000000, 0.0038871600000000 ] - [ 0.0018256000000000, 0.0000000000000000, 0.0007904400000000 ] - [ 0.0008736100000000, -0.0001953200000000, -0.0004829800000000 ] - [ 0.0008736100000000, 0.0001953200000000, -0.0004829800000000 ] - [ 0.0006989300000000, 0.0000000000000000, -0.0002919600000000 ] - [ 0.0144768600000000, 0.0000000000000000, -0.0036564800000000 ] - [ 0.0039905500000000, 0.0001346100000000, 0.0004023800000000 ] - [ 0.0039905500000000, -0.0001346100000000, 0.0004023800000000 ] - [ 0.0034469200000000, 0.0000000000000000, -0.0004840700000000 ] - [ 0.0019184800000000, 0.0005239500000000, -0.0005706700000000 ] - [ 0.0019184800000000, -0.0005239500000000, -0.0005706700000000 ] - [ -0.0027840600000000, 0.0000000000000000, -0.0000473900000000 ] - [ -0.0018418900000000, 0.0001486000000000, -0.0001098300000000 ] - [ -0.0018418900000000, -0.0001486000000000, -0.0001098300000000 ] - [ -0.0023136000000000, 0.0000000000000000, 0.0000231100000000 ] - [ -0.0015630300000000, 0.0002300100000000, -0.0002710000000000 ] - [ -0.0015630300000000, -0.0002300100000000, -0.0002710000000000 ] - [ -0.0004135400000000, 0.0005333900000000, -0.0000879100000000 ] - [ -0.0004135400000000, -0.0005333900000000, -0.0000879100000000 ] - [ -0.0001741600000000, 0.0000000000000000, -0.0002058900000000 ] - [ 0.0002065500000000, -0.0000039500000000, -0.0004297500000000 ] - [ 0.0002065500000000, 0.0000039500000000, -0.0004297500000000 ] - [ 0.0001924200000000, 0.0000000000000000, -0.0003819500000000 ] - [ 0.3458164500000000, 0.0000000000000000, -0.1325636300000000 ] - [ 0.0003269100000000, 0.0006507200000000, 0.0004073900000000 ] - [ 0.0003269100000000, -0.0006507200000000, 0.0004073900000000 ] - [ 0.0001408500000000, 0.0000000000000000, 0.0001796800000000 ] - [ 0.0000538100000000, 0.0000484800000000, 0.0002417000000000 ] - [ 0.0000538100000000, -0.0000484800000000, 0.0002417000000000 ] - [ -0.0015490000000000, 0.0000000000000000, -0.0010908500000000 ] - [ -0.0006456100000000, -0.0000376400000000, -0.0004492500000000 ] - [ -0.0006456100000000, 0.0000376400000000, -0.0004492500000000 ] - [ -0.0003375800000000, 0.0000000000000000, -0.0002631300000000 ] - [ -0.0003081500000000, -0.0000256900000000, -0.0002668800000000 ] - [ -0.0003081500000000, 0.0000256900000000, -0.0002668800000000 ] - [ 0.0004500600000000, -0.0010975300000000, 0.0014575200000000 ] - [ 0.0004500600000000, 0.0010975300000000, 0.0014575200000000 ] - [ 0.0006520800000000, 0.0000000000000000, 0.0004325200000000 ] - [ 0.0004748800000000, 0.0000387000000000, -0.0001693400000000 ] - [ 0.0004748800000000, -0.0000387000000000, -0.0001693400000000 ] - [ 0.0004803500000000, 0.0000000000000000, 0.0002899800000000 ] - [ -0.0003666000000000, 0.0000000000000000, 0.0002725300000000 ] - [ -0.0003971200000000, -0.0001242500000000, -0.0001627500000000 ] - [ -0.0003971200000000, 0.0001242500000000, -0.0001627500000000 ] - [ -0.0016266100000000, 0.0000000000000000, 0.0008271400000000 ] - [ -0.0008284300000000, 0.0000255300000000, -0.0003884100000000 ] - [ -0.0008284300000000, -0.0000255300000000, -0.0003884100000000 ] - [ -0.0011116000000000, 0.0000922700000000, -0.0003810600000000 ] - [ -0.0011116000000000, -0.0000922700000000, -0.0003810600000000 ] - [ 0.0000509300000000, 0.0000000000000000, 0.0002272900000000 ] - [ 0.0001737100000000, -0.0004334500000000, 0.0007936000000000 ] - [ 0.0001737100000000, 0.0004334500000000, 0.0007936000000000 ] - [ 0.0001508900000000, 0.0000000000000000, 0.0004119500000000 ] - [ -0.0005573100000000, -0.0008041600000000, -0.0004783000000000 ] - [ -0.0005573100000000, 0.0008041600000000, -0.0004783000000000 ] - [ 0.0001560300000000, 0.0000000000000000, -0.0001038400000000 ] - [ 0.0000526800000000, 0.0001514400000000, -0.0006467000000000 ] - [ 0.0000526800000000, -0.0001514400000000, -0.0006467000000000 ] - [ 0.0000130700000000, 0.0000000000000000, -0.0005713500000000 ] - [ -0.0010976900000000, 0.0000000000000000, 0.0000405700000000 ] - [ -0.0008370300000000, 0.0007161900000000, 0.0006364400000000 ] - [ -0.0008370300000000, -0.0007161900000000, 0.0006364400000000 ] - [ -0.0002928700000000, 0.0000000000000000, 0.0004680500000000 ] - [ -0.0002957500000000, 0.0000554900000000, 0.0003187300000000 ] - [ -0.0002957500000000, -0.0000554900000000, 0.0003187300000000 ] - [ 0.0063992000000000, 0.0000000000000000, -0.0002054900000000 ] - [ 0.0011341400000000, 0.0008846500000000, -0.0005451600000000 ] - [ 0.0011341400000000, -0.0008846500000000, -0.0005451600000000 ] - [ 0.0000031800000000, 0.0000000000000000, -0.0000089800000000 ] - [ 0.0000618300000000, -0.0000178400000000, -0.0001192200000000 ] - [ 0.0000618300000000, 0.0000178400000000, -0.0001192200000000 ] - [ 0.0100126600000000, 0.0000000000000000, -0.0038117600000000 ] - [ -0.0000416500000000, -0.0005447000000000, 0.0000150200000000 ] - [ -0.0000416500000000, 0.0005447000000000, 0.0000150200000000 ] - [ 0.0001827300000000, 0.0000000000000000, 0.0005145800000000 ] - [ 0.0001585400000000, -0.0002419400000000, 0.0005298200000000 ] - [ 0.0001585400000000, 0.0002419400000000, 0.0005298200000000 ] - [ 0.0006190500000000, -0.0000400800000000, -0.0003922800000000 ] - [ 0.0006190500000000, 0.0000400800000000, -0.0003922800000000 ] - [ 0.0003067000000000, 0.0000000000000000, -0.0002623900000000 ] - [ 0.0008913300000000, -0.0001688100000000, 0.0002306800000000 ] - [ 0.0008913300000000, 0.0001688100000000, 0.0002306800000000 ] - [ 0.0006490000000000, 0.0000000000000000, 0.0000933300000000 ] - [ 0.0040111000000000, 0.0051444400000000, 0.0050643100000000 ] - [ 0.0040111000000000, -0.0051444400000000, 0.0050643100000000 ] - [ -0.0007210900000000, 0.0000000000000000, 0.0002464200000000 ] - [ -0.0005216000000000, 0.0001173700000000, 0.0000902900000000 ] - [ -0.0005216000000000, -0.0001173700000000, 0.0000902900000000 ] - [ -0.0003751800000000, 0.0000000000000000, 0.0002466900000000 ] - [ 0.0022624200000000, 0.0000000000000000, 0.0007271300000000 ] - [ 0.0013946700000000, -0.0005977200000000, -0.0000780200000000 ] - [ 0.0013946700000000, 0.0005977200000000, -0.0000780200000000 ] - [ 0.0006509500000000, 0.0000000000000000, 0.0000411300000000 ] - [ 0.0006097700000000, -0.0000770200000000, 0.0001700000000000 ] - [ 0.0006097700000000, 0.0000770200000000, 0.0001700000000000 ] - [ -0.4314489600000000, 0.0000000000000000, 0.1278695800000000 ] - [ -0.0019890800000000, 0.0002501400000000, -0.0011455100000000 ] - [ -0.0019890800000000, -0.0002501400000000, -0.0011455100000000 ] - [ 0.0003016000000000, 0.0000000000000000, -0.0000504600000000 ] - [ 0.0001856400000000, -0.0000794200000000, -0.0001254700000000 ] - [ 0.0001856400000000, 0.0000794200000000, -0.0001254700000000 ] - [ 0.0026715200000000, 0.0000000000000000, 0.0004306200000000 ] - [ 0.0016484100000000, -0.0002350000000000, 0.0000884500000000 ] - [ 0.0016484100000000, 0.0002350000000000, 0.0000884500000000 ] - [ 0.0011347700000000, 0.0000000000000000, 0.0002478100000000 ] - [ 0.0010862700000000, -0.0000117300000000, 0.0002046800000000 ] - [ 0.0010862700000000, 0.0000117300000000, 0.0002046800000000 ] - [ 0.0051439500000000, 0.0000000000000000, 0.0081812600000000 ] - [ -0.0000107800000000, 0.0032806300000000, 0.0034402100000000 ] - [ -0.0000107800000000, -0.0032806300000000, 0.0034402100000000 ] - [ -0.0015265300000000, 0.0000000000000000, -0.0001446300000000 ] - [ 0.0000385000000000, 0.0004043700000000, -0.0005337800000000 ] - [ 0.0000385000000000, -0.0004043700000000, -0.0005337800000000 ] - [ -0.0014429100000000, -0.0000097600000000, 0.0007026500000000 ] - [ -0.0014429100000000, 0.0000097600000000, 0.0007026500000000 ] - [ -0.0008586500000000, 0.0000000000000000, 0.0000058800000000 ] - [ -0.0036479800000000, 0.0017314400000000, -0.0015421000000000 ] - [ -0.0036479800000000, -0.0017314400000000, -0.0015421000000000 ] - [ -0.0014002500000000, 0.0000000000000000, 0.0001938400000000 ] - [ 0.0005997100000000, 0.0000924600000000, 0.0001395200000000 ] - [ 0.0005997100000000, -0.0000924600000000, 0.0001395200000000 ] - [ -0.0002355100000000, 0.0000000000000000, -0.0002376700000000 ] - [ 0.0006981600000000, 0.0009160000000000, -0.0010451500000000 ] - [ 0.0006981600000000, -0.0009160000000000, -0.0010451500000000 ] - [ -0.0002215200000000, 0.0000000000000000, -0.0004786200000000 ] - [ 0.0015078500000000, -0.0081142800000000, -0.0082294500000000 ] - [ 0.0015078500000000, 0.0081142800000000, -0.0082294500000000 ] - [ -0.0013190200000000, 0.0000000000000000, -0.0003171700000000 ] - [ -0.0010598700000000, -0.0001796800000000, 0.0008326600000000 ] - [ -0.0010598700000000, 0.0001796800000000, 0.0008326600000000 ] - [ -0.0009883600000000, 0.0000000000000000, 0.0008545700000000 ] - [ 0.0011946200000000, -0.0002913800000000, -0.0000744300000000 ] - [ 0.0011946200000000, 0.0002913800000000, -0.0000744300000000 ] - [ 0.0006413700000000, 0.0000000000000000, -0.0001560500000000 ] - [ 0.0001792200000000, 0.0000921200000000, 0.0001521900000000 ] - [ 0.0001792200000000, -0.0000921200000000, 0.0001521900000000 ] - [ -0.0000148700000000, 0.0000000000000000, 0.0000896200000000 ]- atom: 103 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0038895000000000, 0.0020637000000000, 0.0006869500000000 ] - [ 0.0038895000000000, -0.0020637000000000, 0.0006869500000000 ] - [ 0.0014347900000000, 0.0000000000000000, 0.0000276800000000 ] - [ 0.0010026500000000, 0.0001762900000000, 0.0005932400000000 ] - [ 0.0010026500000000, -0.0001762900000000, 0.0005932400000000 ] - [ 0.0009171400000000, 0.0000000000000000, 0.0004194900000000 ] - [ -0.0228095800000000, 0.0109805700000000, -0.0040514300000000 ] - [ -0.0228095800000000, -0.0109805700000000, -0.0040514300000000 ] - [ -0.0014186400000000, 0.0000000000000000, -0.0012129800000000 ] - [ -0.0004780500000000, 0.0002587200000000, -0.0000058900000000 ] - [ -0.0004780500000000, -0.0002587200000000, -0.0000058900000000 ] - [ -0.0002888700000000, 0.0000000000000000, -0.0001399300000000 ] - [ -0.0149544400000000, 0.0000000000000000, 0.0043377200000000 ] - [ -0.0043935300000000, -0.0001081800000000, 0.0000520000000000 ] - [ -0.0043935300000000, 0.0001081800000000, 0.0000520000000000 ] - [ -0.0038430400000000, 0.0000000000000000, 0.0009716100000000 ] - [ -0.0023348200000000, -0.0005418800000000, 0.0009880900000000 ] - [ -0.0023348200000000, 0.0005418800000000, 0.0009880900000000 ] - [ 0.0023909900000000, 0.0000000000000000, -0.0003923800000000 ] - [ 0.0014493400000000, -0.0001497300000000, -0.0003276000000000 ] - [ 0.0014493400000000, 0.0001497300000000, -0.0003276000000000 ] - [ 0.0018768900000000, 0.0000000000000000, -0.0003299400000000 ] - [ 0.0011456600000000, -0.0002232300000000, -0.0001557900000000 ] - [ 0.0011456600000000, 0.0002232300000000, -0.0001557900000000 ] - [ 0.0010041600000000, -0.0005245500000000, -0.0005826500000000 ] - [ 0.0010041600000000, 0.0005245500000000, -0.0005826500000000 ] - [ 0.0008248400000000, 0.0000000000000000, -0.0004895700000000 ] - [ 0.0004157100000000, 0.0000054900000000, -0.0002560900000000 ] - [ 0.0004157100000000, -0.0000054900000000, -0.0002560900000000 ] - [ 0.0003949600000000, 0.0000000000000000, -0.0002936900000000 ] - [ -0.3703688500000000, 0.0000000000000000, 0.1461215600000000 ] - [ -0.0006614100000000, -0.0006516000000000, 0.0001809200000000 ] - [ -0.0006614100000000, 0.0006516000000000, 0.0001809200000000 ] - [ -0.0003142600000000, 0.0000000000000000, 0.0003457000000000 ] - [ -0.0003677500000000, -0.0000447800000000, 0.0003413500000000 ] - [ -0.0003677500000000, 0.0000447800000000, 0.0003413500000000 ] - [ 0.0011197100000000, 0.0000000000000000, 0.0004539100000000 ] - [ 0.0003834900000000, 0.0000360100000000, -0.0001095900000000 ] - [ 0.0003834900000000, -0.0000360100000000, -0.0001095900000000 ] - [ 0.0000124100000000, 0.0000000000000000, -0.0003229400000000 ] - [ 0.0000026300000000, 0.0000280600000000, -0.0003086100000000 ] - [ 0.0000026300000000, -0.0000280600000000, -0.0003086100000000 ] - [ 0.0001469600000000, 0.0010924200000000, -0.0007879600000000 ] - [ 0.0001469600000000, -0.0010924200000000, -0.0007879600000000 ] - [ -0.0000758000000000, 0.0000000000000000, 0.0002384400000000 ] - [ 0.0000667300000000, -0.0000403400000000, 0.0008374500000000 ] - [ 0.0000667300000000, 0.0000403400000000, 0.0008374500000000 ] - [ 0.0000970200000000, 0.0000000000000000, 0.0003833800000000 ] - [ -0.0002556600000000, 0.0000000000000000, -0.0009558600000000 ] - [ -0.0001927800000000, 0.0001261500000000, -0.0005109300000000 ] - [ -0.0001927800000000, -0.0001261500000000, -0.0005109300000000 ] - [ 0.0010493300000000, 0.0000000000000000, -0.0014872400000000 ] - [ 0.0002332500000000, -0.0000236500000000, -0.0002829500000000 ] - [ 0.0002332500000000, 0.0000236500000000, -0.0002829500000000 ] - [ 0.0013894300000000, -0.0000936700000000, 0.0009506500000000 ] - [ 0.0013894300000000, 0.0000936700000000, 0.0009506500000000 ] - [ 0.0002437800000000, 0.0000000000000000, 0.0003499400000000 ] - [ 0.0002051300000000, 0.0004275300000000, -0.0001819400000000 ] - [ 0.0002051300000000, -0.0004275300000000, -0.0001819400000000 ] - [ 0.0001767300000000, 0.0000000000000000, 0.0001763000000000 ] - [ 0.0008703600000000, 0.0008173000000000, -0.0000914300000000 ] - [ 0.0008703600000000, -0.0008173000000000, -0.0000914300000000 ] - [ 0.0001334100000000, 0.0000000000000000, -0.0004685600000000 ] - [ 0.0002750200000000, -0.0001479600000000, 0.0000577000000000 ] - [ 0.0002750200000000, 0.0001479600000000, 0.0000577000000000 ] - [ 0.0003387500000000, 0.0000000000000000, -0.0000290800000000 ] - [ 0.0005202900000000, 0.0000000000000000, 0.0006313100000000 ] - [ 0.0002617400000000, -0.0007191800000000, 0.0000349900000000 ] - [ 0.0002617400000000, 0.0007191800000000, 0.0000349900000000 ] - [ -0.0003735300000000, 0.0000000000000000, 0.0002293900000000 ] - [ -0.0003213000000000, -0.0000552400000000, 0.0003640900000000 ] - [ -0.0003213000000000, 0.0000552400000000, 0.0003640900000000 ] - [ -0.0062014000000000, 0.0000000000000000, -0.0000825700000000 ] - [ -0.0011198800000000, -0.0009247500000000, 0.0002377600000000 ] - [ -0.0011198800000000, 0.0009247500000000, 0.0002377600000000 ] - [ 0.0000378400000000, 0.0000000000000000, -0.0003124300000000 ] - [ -0.0000254700000000, 0.0000047300000000, -0.0002083600000000 ] - [ -0.0000254700000000, -0.0000047300000000, -0.0002083600000000 ] - [ -0.0098995600000000, 0.0000000000000000, 0.0041210000000000 ] - [ 0.0000757100000000, 0.0005013800000000, 0.0003200100000000 ] - [ 0.0000757100000000, -0.0005013800000000, 0.0003200100000000 ] - [ -0.0001401200000000, 0.0000000000000000, -0.0002046000000000 ] - [ -0.0001096400000000, 0.0002205000000000, -0.0002267000000000 ] - [ -0.0001096400000000, -0.0002205000000000, -0.0002267000000000 ] - [ -0.0006524000000000, 0.0000171600000000, 0.0000691600000000 ] - [ -0.0006524000000000, -0.0000171600000000, 0.0000691600000000 ] - [ -0.0003556700000000, 0.0000000000000000, -0.0000639700000000 ] - [ -0.0009189500000000, 0.0001651500000000, -0.0005377900000000 ] - [ -0.0009189500000000, -0.0001651500000000, -0.0005377900000000 ] - [ -0.0006968700000000, 0.0000000000000000, -0.0003732600000000 ] - [ -0.0040910000000000, -0.0052240300000000, -0.0047932300000000 ] - [ -0.0040910000000000, 0.0052240300000000, -0.0047932300000000 ] - [ 0.0006802600000000, 0.0000000000000000, 0.0000585400000000 ] - [ 0.0004817600000000, -0.0001565500000000, 0.0002092200000000 ] - [ 0.0004817600000000, 0.0001565500000000, 0.0002092200000000 ] - [ 0.0003372000000000, 0.0000000000000000, 0.0000630000000000 ] - [ -0.0014693300000000, 0.0000000000000000, -0.0005723100000000 ] - [ -0.0006208800000000, 0.0006289700000000, 0.0002052000000000 ] - [ -0.0006208800000000, -0.0006289700000000, 0.0002052000000000 ] - [ -0.0000156900000000, 0.0000000000000000, 0.0000725800000000 ] - [ 0.0001287400000000, 0.0001329700000000, -0.0000711300000000 ] - [ 0.0001287400000000, -0.0001329700000000, -0.0000711300000000 ] - [ 0.4565571900000000, 0.0000000000000000, -0.1420875200000000 ] - [ 0.0032153300000000, -0.0002062700000000, 0.0006594700000000 ] - [ 0.0032153300000000, 0.0002062700000000, 0.0006594700000000 ] - [ 0.0011609000000000, 0.0000000000000000, -0.0005267000000000 ] - [ 0.0010474500000000, 0.0001287500000000, -0.0003652800000000 ] - [ 0.0010474500000000, -0.0001287500000000, -0.0003652800000000 ] - [ -0.0016053200000000, 0.0000000000000000, -0.0000234800000000 ] - [ -0.0002993100000000, 0.0002505900000000, 0.0004417000000000 ] - [ -0.0002993100000000, -0.0002505900000000, 0.0004417000000000 ] - [ 0.0001125000000000, 0.0000000000000000, 0.0002449600000000 ] - [ 0.0001761700000000, 0.0000596100000000, 0.0002854400000000 ] - [ 0.0001761700000000, -0.0000596100000000, 0.0002854400000000 ] - [ -0.0042983400000000, 0.0000000000000000, -0.0082036700000000 ] - [ 0.0007550100000000, -0.0031959900000000, -0.0035095900000000 ] - [ 0.0007550100000000, 0.0031959900000000, -0.0035095900000000 ] - [ 0.0022211200000000, 0.0000000000000000, 0.0000174600000000 ] - [ 0.0007136900000000, -0.0003234100000000, 0.0004271000000000 ] - [ 0.0007136900000000, 0.0003234100000000, 0.0004271000000000 ] - [ 0.0006201000000000, 0.0001008200000000, -0.0005844700000000 ] - [ 0.0006201000000000, -0.0001008200000000, -0.0005844700000000 ] - [ 0.0000693300000000, 0.0000000000000000, 0.0001037900000000 ] - [ 0.0028990100000000, -0.0016883700000000, 0.0016696000000000 ] - [ 0.0028990100000000, 0.0016883700000000, 0.0016696000000000 ] - [ 0.0006027400000000, 0.0000000000000000, -0.0000577600000000 ] - [ -0.0019225800000000, -0.0000439600000000, -0.0006526500000000 ] - [ -0.0019225800000000, 0.0000439600000000, -0.0006526500000000 ] - [ -0.0010380800000000, 0.0000000000000000, -0.0002774200000000 ] - [ -0.0018404100000000, -0.0008824500000000, 0.0005984800000000 ] - [ -0.0018404100000000, 0.0008824500000000, 0.0005984800000000 ] - [ -0.0010292600000000, 0.0000000000000000, -0.0000082900000000 ] - [ -0.0028523100000000, 0.0080799100000000, 0.0086794500000000 ] - [ -0.0028523100000000, -0.0080799100000000, 0.0086794500000000 ] - [ 0.0000158900000000, 0.0000000000000000, 0.0008278600000000 ] - [ -0.0002001400000000, 0.0002263100000000, -0.0003376900000000 ] - [ -0.0002001400000000, -0.0002263100000000, -0.0003376900000000 ] - [ -0.0002219500000000, 0.0000000000000000, -0.0003674400000000 ] - [ -0.0019392500000000, 0.0003581200000000, -0.0000091500000000 ] - [ -0.0019392500000000, -0.0003581200000000, -0.0000091500000000 ] - [ -0.0013154000000000, 0.0000000000000000, 0.0000122400000000 ] - [ -0.0008873400000000, -0.0000050400000000, -0.0002917400000000 ] - [ -0.0008873400000000, 0.0000050400000000, -0.0002917400000000 ] - [ -0.0007779100000000, 0.0000000000000000, -0.0002230100000000 ]- atom: 103 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003001500000000, 0.0007322200000000, 0.0006440600000000 ] - [ 0.0007044300000000, 0.0007588100000000, -0.0002294800000000 ] - [ 0.0001952500000000, -0.0014713800000000, 0.0002118200000000 ] - [ 0.0000965400000000, 0.0003274200000000, -0.0000844000000000 ] - [ 0.0003222100000000, 0.0003279600000000, 0.0004798700000000 ] - [ 0.0002105500000000, -0.0006618300000000, 0.0002021100000000 ] - [ -0.0058744600000000, 0.0178537300000000, -0.0043774700000000 ] - [ 0.0073135500000000, 0.0188469800000000, 0.0045424200000000 ] - [ 0.0002085500000000, -0.0076082100000000, -0.0002046200000000 ] - [ 0.0004054100000000, 0.0005561800000000, -0.0005841600000000 ] - [ 0.0000182700000000, 0.0005437900000000, 0.0001363400000000 ] - [ 0.0002131700000000, -0.0010980500000000, -0.0002132200000000 ] - [ -0.0001560100000000, 0.0147358100000000, 0.0001720300000000 ] - [ 0.0001888100000000, -0.0041015300000000, 0.0033578500000000 ] - [ -0.0005883800000000, -0.0041276600000000, -0.0029279600000000 ] - [ -0.0002096200000000, 0.0050491800000000, 0.0002237900000000 ] - [ 0.0001981100000000, -0.0025346900000000, -0.0025604500000000 ] - [ -0.0006226700000000, -0.0025307200000000, 0.0029649500000000 ] - [ -0.0002162800000000, 0.0013791200000000, -0.0002070300000000 ] - [ -0.0001978200000000, -0.0006941300000000, 0.0000355400000000 ] - [ -0.0002309500000000, -0.0006934500000000, -0.0004525800000000 ] - [ -0.0002214800000000, 0.0006734600000000, -0.0001901800000000 ] - [ -0.0002273900000000, -0.0003363000000000, -0.0003586600000000 ] - [ -0.0002080900000000, -0.0003340100000000, -0.0000515500000000 ] - [ 0.0004031000000000, 0.0003629100000000, -0.0003373200000000 ] - [ 0.0002003500000000, 0.0003576700000000, -0.0003405300000000 ] - [ 0.0003128400000000, -0.0008705900000000, -0.0003437200000000 ] - [ 0.0003138800000000, 0.0000390500000000, -0.0003065500000000 ] - [ 0.0003043900000000, 0.0000391300000000, -0.0003798600000000 ] - [ 0.0003029300000000, -0.0000779700000000, -0.0003411000000000 ] - [ 0.0017257000000000, 0.0117755700000000, -0.0004285900000000 ] - [ 0.0007001300000000, -0.0011429300000000, -0.0001451900000000 ] - [ -0.0010264500000000, -0.0011376800000000, 0.0007289600000000 ] - [ -0.0001358500000000, 0.0001548400000000, 0.0002808900000000 ] - [ -0.0001632000000000, -0.0000714200000000, 0.0003175200000000 ] - [ -0.0001624900000000, -0.0000738700000000, 0.0002659300000000 ] - [ -0.0001883600000000, 0.0000736600000000, -0.0003041800000000 ] - [ -0.0005823200000000, -0.0000273600000000, -0.0005187400000000 ] - [ 0.0002652700000000, -0.0000275000000000, -0.0000612000000000 ] - [ -0.0001628600000000, 0.0000903500000000, -0.0002927200000000 ] - [ -0.0001745600000000, -0.0000445400000000, -0.0002754500000000 ] - [ -0.0001464100000000, -0.0000462000000000, -0.0003062300000000 ] - [ -0.0017520600000000, -0.0005808400000000, 0.0012678600000000 ] - [ 0.0023647600000000, -0.0005707600000000, -0.0005864100000000 ] - [ 0.0003053200000000, -0.0004014800000000, 0.0003410500000000 ] - [ 0.0002853700000000, 0.0000361800000000, 0.0000442000000000 ] - [ 0.0003034400000000, 0.0000365300000000, 0.0006309300000000 ] - [ 0.0003032700000000, -0.0001320000000000, 0.0003406800000000 ] - [ -0.0003062900000000, 0.0004133400000000, -0.0003384100000000 ] - [ -0.0005216900000000, -0.0002306900000000, -0.0002151000000000 ] - [ -0.0000853000000000, -0.0002309100000000, -0.0004663200000000 ] - [ -0.0003034800000000, 0.0000264800000000, -0.0003496200000000 ] - [ -0.0009809400000000, -0.0001420800000000, -0.0006343100000000 ] - [ 0.0003698000000000, -0.0001372800000000, -0.0000516800000000 ] - [ -0.0011236500000000, 0.0002006700000000, -0.0003632900000000 ] - [ 0.0014356500000000, 0.0001993200000000, 0.0009421100000000 ] - [ 0.0001557500000000, -0.0001563700000000, 0.0002901400000000 ] - [ 0.0000497600000000, 0.0000839800000000, 0.0002623800000000 ] - [ 0.0003002600000000, 0.0000862000000000, 0.0003353700000000 ] - [ 0.0001630200000000, -0.0001466100000000, 0.0002930600000000 ] - [ 0.0013819200000000, 0.0017457900000000, 0.0005310900000000 ] - [ -0.0010440800000000, 0.0017343900000000, -0.0011157900000000 ] - [ 0.0001549700000000, -0.0003055700000000, -0.0002878400000000 ] - [ 0.0003010500000000, 0.0001461200000000, -0.0001692200000000 ] - [ 0.0000287300000000, 0.0001454400000000, -0.0004177400000000 ] - [ 0.0001656700000000, -0.0003190200000000, -0.0002946100000000 ] - [ -0.0003033800000000, 0.0011345800000000, 0.0003389700000000 ] - [ 0.0000445300000000, -0.0007106500000000, 0.0001584200000000 ] - [ -0.0006517000000000, -0.0007147400000000, 0.0005242500000000 ] - [ -0.0003125100000000, 0.0002443400000000, 0.0003439500000000 ] - [ -0.0002734300000000, -0.0001173600000000, 0.0003603000000000 ] - [ -0.0003364200000000, -0.0001176000000000, 0.0003219000000000 ] - [ 0.0000736700000000, -0.0028655600000000, -0.0001454700000000 ] - [ 0.0023995100000000, 0.0024087800000000, -0.0011442900000000 ] - [ -0.0023205600000000, 0.0024187400000000, 0.0008349800000000 ] - [ 0.0000378000000000, -0.0002354400000000, -0.0001525800000000 ] - [ 0.0001058800000000, 0.0001086400000000, -0.0002014200000000 ] - [ -0.0000333500000000, 0.0001313600000000, -0.0001129900000000 ] - [ 0.0000752800000000, -0.0015171900000000, 0.0001461900000000 ] - [ -0.0006628700000000, 0.0004337600000000, 0.0002433300000000 ] - [ 0.0007290600000000, 0.0004628100000000, 0.0000794200000000 ] - [ 0.0000450500000000, -0.0004735000000000, 0.0001451300000000 ] - [ -0.0001179100000000, 0.0002697500000000, -0.0000914500000000 ] - [ 0.0002021400000000, 0.0002983000000000, 0.0003879400000000 ] - [ -0.0006526300000000, -0.0002118100000000, 0.0000330500000000 ] - [ 0.0005818700000000, -0.0001885300000000, -0.0003537400000000 ] - [ -0.0000390100000000, 0.0004078900000000, -0.0001590300000000 ] - [ -0.0003718700000000, -0.0002702400000000, -0.0003034300000000 ] - [ 0.0002990700000000, -0.0002524000000000, 0.0000042600000000 ] - [ -0.0000422600000000, 0.0004970800000000, -0.0001435400000000 ] - [ 0.0057217000000000, 0.0027482500000000, 0.0047820700000000 ] - [ -0.0058265200000000, 0.0027562900000000, -0.0044993700000000 ] - [ -0.0000411100000000, 0.0012636900000000, 0.0001453100000000 ] - [ 0.0004822500000000, -0.0002986200000000, -0.0003492100000000 ] - [ -0.0005695000000000, -0.0002726100000000, 0.0006582600000000 ] - [ -0.0000457200000000, 0.0005012400000000, 0.0001546900000000 ] - [ 0.0003960200000000, -0.0010138900000000, 0.0000612700000000 ] - [ -0.0002056800000000, 0.0006221700000000, 0.0002294900000000 ] - [ 0.0009687400000000, 0.0005710300000000, -0.0001234600000000 ] - [ 0.0003766200000000, -0.0003093900000000, 0.0000545900000000 ] - [ 0.0002678500000000, 0.0001782100000000, -0.0000064400000000 ] - [ 0.0005006500000000, 0.0001232500000000, 0.0001006200000000 ] - [ -0.0023718200000000, -0.0873865300000000, 0.0000134800000000 ] - [ 0.0003641600000000, 0.0058848100000000, -0.0009060900000000 ] - [ 0.0008393600000000, 0.0057911800000000, 0.0004357000000000 ] - [ 0.0006391500000000, -0.0005129400000000, -0.0002454500000000 ] - [ 0.0007163000000000, 0.0002635700000000, 0.0000243100000000 ] - [ 0.0004904700000000, 0.0002257700000000, -0.0004815400000000 ] - [ 0.0005923400000000, -0.0003782400000000, 0.0002328800000000 ] - [ 0.0008610600000000, 0.0002006700000000, 0.0003782400000000 ] - [ 0.0003843900000000, 0.0001652700000000, 0.0000979100000000 ] - [ 0.0006100100000000, -0.0004436700000000, 0.0002320600000000 ] - [ 0.0006532800000000, 0.0002425700000000, 0.0001098800000000 ] - [ 0.0005697300000000, 0.0002009200000000, 0.0003440900000000 ] - [ 0.0003564700000000, -0.0055461800000000, -0.0000543300000000 ] - [ 0.0002698200000000, 0.0048120300000000, 0.0034992400000000 ] - [ 0.0004722100000000, 0.0047335600000000, -0.0035735500000000 ] - [ 0.0003590500000000, -0.0010203600000000, -0.0000533400000000 ] - [ 0.0006032400000000, 0.0007201600000000, -0.0009292700000000 ] - [ 0.0001422300000000, 0.0006634800000000, 0.0008241300000000 ] - [ -0.0006522500000000, -0.0009525000000000, 0.0007496900000000 ] - [ -0.0001232100000000, -0.0010350700000000, -0.0006455200000000 ] - [ -0.0003873400000000, 0.0010851200000000, 0.0000521800000000 ] - [ 0.0010270000000000, 0.0036361100000000, -0.0096192000000000 ] - [ -0.0018050400000000, 0.0035708000000000, 0.0097904400000000 ] - [ -0.0003886500000000, 0.0017962700000000, 0.0000650600000000 ] - [ 0.0002879700000000, -0.0002215100000000, 0.0001672900000000 ] - [ -0.0015138000000000, -0.0002674200000000, -0.0006389600000000 ] - [ -0.0006161100000000, 0.0004221100000000, -0.0002432200000000 ] - [ -0.0005082300000000, -0.0002202300000000, -0.0002583900000000 ] - [ -0.0006641800000000, -0.0002681300000000, -0.0001880700000000 ] - [ -0.0006072800000000, 0.0004212700000000, -0.0002346000000000 ] - [ -0.0087006800000000, 0.0032694300000000, 0.0091953000000000 ] - [ 0.0075093700000000, 0.0032469400000000, -0.0088184000000000 ] - [ -0.0006257900000000, 0.0020349000000000, 0.0002354200000000 ] - [ -0.0007994100000000, -0.0006062100000000, -0.0003794600000000 ] - [ -0.0004113900000000, -0.0006520300000000, 0.0008475600000000 ] - [ -0.0006053200000000, 0.0015275500000000, 0.0002382900000000 ] - [ -0.0004891400000000, -0.0003564400000000, -0.0000603000000000 ] - [ -0.0002461200000000, -0.0004179700000000, -0.0000378000000000 ] - [ -0.0003586300000000, 0.0008928400000000, -0.0000602400000000 ] - [ -0.0004135800000000, -0.0000523500000000, -0.0001372600000000 ] - [ -0.0003293300000000, -0.0001190200000000, 0.0000349000000000 ] - [ -0.0003905100000000, 0.0001721800000000, -0.0000545300000000 ]- atom: 103 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006690200000000, 0.0009059200000000, 0.0023002800000000 ] - [ 0.0006690200000000, -0.0009059200000000, 0.0023002800000000 ] - [ 0.0001392600000000, 0.0000000000000000, 0.0013770100000000 ] - [ -0.0001283500000000, -0.0001268100000000, -0.0011219200000000 ] - [ -0.0001283500000000, 0.0001268100000000, -0.0011219200000000 ] - [ -0.0002068600000000, 0.0000000000000000, -0.0007114600000000 ] - [ 0.0004384900000000, -0.0009970000000000, 0.0161520400000000 ] - [ 0.0004384900000000, 0.0009970000000000, 0.0161520400000000 ] - [ 0.0005104500000000, 0.0000000000000000, 0.0016810000000000 ] - [ 0.0010586200000000, -0.0008868500000000, -0.0040601400000000 ] - [ 0.0010586200000000, 0.0008868500000000, -0.0040601400000000 ] - [ 0.0004360700000000, 0.0000000000000000, -0.0019971400000000 ] - [ 0.0047856700000000, 0.0000000000000000, 0.0199205300000000 ] - [ 0.0001164500000000, 0.0036408900000000, 0.0008051100000000 ] - [ 0.0001164500000000, -0.0036408900000000, 0.0008051100000000 ] - [ 0.0007549200000000, 0.0000000000000000, -0.0077462500000000 ] - [ -0.0004749600000000, -0.0023198800000000, -0.0024370400000000 ] - [ -0.0004749600000000, 0.0023198800000000, -0.0024370400000000 ] - [ -0.0004940600000000, 0.0000000000000000, 0.0004804300000000 ] - [ -0.0006545600000000, 0.0004520700000000, 0.0003550000000000 ] - [ -0.0006545600000000, -0.0004520700000000, 0.0003550000000000 ] - [ -0.0002753000000000, 0.0000000000000000, -0.0010730300000000 ] - [ -0.0004695500000000, -0.0003274800000000, -0.0008481300000000 ] - [ -0.0004695500000000, 0.0003274800000000, -0.0008481300000000 ] - [ 0.0001707100000000, -0.0000824200000000, -0.0001994900000000 ] - [ 0.0001707100000000, 0.0000824200000000, -0.0001994900000000 ] - [ 0.0000758800000000, 0.0000000000000000, -0.0002313500000000 ] - [ 0.0003601300000000, -0.0000371900000000, -0.0004802700000000 ] - [ 0.0003601300000000, 0.0000371900000000, -0.0004802700000000 ] - [ 0.0003012900000000, 0.0000000000000000, -0.0004153200000000 ] - [ -0.1411814800000000, 0.0000000000000000, 0.0726978300000000 ] - [ 0.0000936400000000, -0.0001178500000000, 0.0008466200000000 ] - [ 0.0000936400000000, 0.0001178500000000, 0.0008466200000000 ] - [ -0.0001171000000000, 0.0000000000000000, -0.0002454500000000 ] - [ -0.0001676500000000, 0.0000792000000000, -0.0000606700000000 ] - [ -0.0001676500000000, -0.0000792000000000, -0.0000606700000000 ] - [ -0.0001224800000000, 0.0000000000000000, -0.0000290500000000 ] - [ -0.0002281500000000, -0.0000036800000000, -0.0002183900000000 ] - [ -0.0002281500000000, 0.0000036800000000, -0.0002183900000000 ] - [ -0.0001855500000000, 0.0000000000000000, -0.0004452700000000 ] - [ -0.0002042800000000, 0.0000333400000000, -0.0004170200000000 ] - [ -0.0002042800000000, -0.0000333400000000, -0.0004170200000000 ] - [ 0.0020656700000000, 0.0012983700000000, 0.0000305200000000 ] - [ 0.0020656700000000, -0.0012983700000000, 0.0000305200000000 ] - [ 0.0004038600000000, 0.0000000000000000, 0.0004010400000000 ] - [ -0.0002886600000000, 0.0000708300000000, -0.0000583600000000 ] - [ -0.0002886600000000, -0.0000708300000000, -0.0000583600000000 ] - [ 0.0002262800000000, 0.0000000000000000, 0.0002340500000000 ] - [ 0.0002801100000000, 0.0000000000000000, 0.0002245600000000 ] - [ -0.0000795800000000, 0.0001625400000000, -0.0004252100000000 ] - [ -0.0000795800000000, -0.0001625400000000, -0.0004252100000000 ] - [ -0.0018807900000000, 0.0000000000000000, 0.0019482500000000 ] - [ -0.0005188800000000, -0.0000730200000000, -0.0004313000000000 ] - [ -0.0005188800000000, 0.0000730200000000, -0.0004313000000000 ] - [ -0.0008890800000000, 0.0001056600000000, -0.0002000800000000 ] - [ -0.0008890800000000, -0.0001056600000000, -0.0002000800000000 ] - [ 0.0000196600000000, 0.0000000000000000, 0.0002694000000000 ] - [ 0.0003504900000000, 0.0001678700000000, 0.0001367800000000 ] - [ 0.0003504900000000, -0.0001678700000000, 0.0001367800000000 ] - [ 0.0002012900000000, 0.0000000000000000, 0.0002405700000000 ] - [ 0.0013077600000000, 0.0013187100000000, 0.0002931800000000 ] - [ 0.0013077600000000, -0.0013187100000000, 0.0002931800000000 ] - [ 0.0003573800000000, 0.0000000000000000, -0.0001832300000000 ] - [ -0.0001355700000000, 0.0002398900000000, -0.0006358600000000 ] - [ -0.0001355700000000, -0.0002398900000000, -0.0006358600000000 ] - [ 0.0000343300000000, 0.0000000000000000, -0.0004000700000000 ] - [ -0.0010861900000000, 0.0000000000000000, 0.0009071200000000 ] - [ -0.0009174000000000, 0.0006271800000000, 0.0007661300000000 ] - [ -0.0009174000000000, -0.0006271800000000, 0.0007661300000000 ] - [ -0.0001148500000000, 0.0000000000000000, 0.0000704300000000 ] - [ -0.0001261300000000, -0.0001095700000000, 0.0001623900000000 ] - [ -0.0001261300000000, 0.0001095700000000, 0.0001623900000000 ] - [ -0.0002809600000000, 0.0000000000000000, -0.0013893900000000 ] - [ 0.0012950100000000, 0.0009749800000000, -0.0011731000000000 ] - [ 0.0012950100000000, -0.0009749800000000, -0.0011731000000000 ] - [ -0.0003384900000000, 0.0000000000000000, 0.0005545600000000 ] - [ -0.0001151800000000, -0.0000651500000000, 0.0002017500000000 ] - [ -0.0001151800000000, 0.0000651500000000, 0.0002017500000000 ] - [ -0.0052991800000000, 0.0000000000000000, 0.0005454700000000 ] - [ -0.0004352500000000, 0.0002549600000000, -0.0003192200000000 ] - [ -0.0004352500000000, -0.0002549600000000, -0.0003192200000000 ] - [ 0.0005968300000000, 0.0000000000000000, 0.0007799200000000 ] - [ 0.0004173200000000, -0.0002257200000000, 0.0006655500000000 ] - [ 0.0004173200000000, 0.0002257200000000, 0.0006655500000000 ] - [ -0.0006591500000000, 0.0001338600000000, -0.0002236800000000 ] - [ -0.0006591500000000, -0.0001338600000000, -0.0002236800000000 ] - [ -0.0001123400000000, 0.0000000000000000, -0.0003107200000000 ] - [ 0.0006866800000000, -0.0002893100000000, 0.0001020700000000 ] - [ 0.0006866800000000, 0.0002893100000000, 0.0001020700000000 ] - [ 0.0002439400000000, 0.0000000000000000, -0.0000099200000000 ] - [ 0.0053361800000000, 0.0044728700000000, 0.0020960800000000 ] - [ 0.0053361800000000, -0.0044728700000000, 0.0020960800000000 ] - [ 0.0001069900000000, 0.0000000000000000, -0.0001762300000000 ] - [ -0.0007591200000000, -0.0001858500000000, 0.0009465700000000 ] - [ -0.0007591200000000, 0.0001858500000000, 0.0009465700000000 ] - [ -0.0003820300000000, 0.0000000000000000, 0.0004647900000000 ] - [ 0.0008954200000000, 0.0000000000000000, -0.0012862700000000 ] - [ 0.0010797900000000, -0.0003716300000000, -0.0008400500000000 ] - [ 0.0010797900000000, 0.0003716300000000, -0.0008400500000000 ] - [ 0.0002893000000000, 0.0000000000000000, 0.0008919000000000 ] - [ 0.0003744100000000, 0.0001151600000000, 0.0007055600000000 ] - [ 0.0003744100000000, -0.0001151600000000, 0.0007055600000000 ] - [ 0.1364084200000000, 0.0000000000000000, -0.1578889900000000 ] - [ -0.0002747400000000, 0.0006840400000000, -0.0025114000000000 ] - [ -0.0002747400000000, -0.0006840400000000, -0.0025114000000000 ] - [ 0.0009647300000000, 0.0000000000000000, 0.0017738900000000 ] - [ 0.0007362300000000, -0.0002275800000000, 0.0011774300000000 ] - [ 0.0007362300000000, 0.0002275800000000, 0.0011774300000000 ] - [ 0.0002904600000000, 0.0000000000000000, -0.0002769800000000 ] - [ 0.0008610800000000, 0.0001492100000000, 0.0000117000000000 ] - [ 0.0008610800000000, -0.0001492100000000, 0.0000117000000000 ] - [ 0.0006397300000000, 0.0000000000000000, 0.0006398100000000 ] - [ 0.0006889300000000, -0.0000932800000000, 0.0005256400000000 ] - [ 0.0006889300000000, 0.0000932800000000, 0.0005256400000000 ] - [ 0.0117824400000000, 0.0000000000000000, 0.0073749100000000 ] - [ 0.0006123300000000, 0.0011473800000000, 0.0003199300000000 ] - [ 0.0006123300000000, -0.0011473800000000, 0.0003199300000000 ] - [ -0.0036771100000000, 0.0000000000000000, 0.0027681100000000 ] - [ -0.0001018800000000, -0.0006201100000000, 0.0009014200000000 ] - [ -0.0001018800000000, 0.0006201100000000, 0.0009014200000000 ] - [ -0.0000223900000000, 0.0037008600000000, 0.0027531800000000 ] - [ -0.0000223900000000, -0.0037008600000000, 0.0027531800000000 ] - [ -0.0005049600000000, 0.0000000000000000, 0.0006967200000000 ] - [ -0.0012752100000000, -0.0089265700000000, 0.0088900600000000 ] - [ -0.0012752100000000, 0.0089265700000000, 0.0088900600000000 ] - [ -0.0005484500000000, 0.0000000000000000, -0.0001713200000000 ] - [ 0.0001508700000000, 0.0000634500000000, 0.0000018400000000 ] - [ 0.0001508700000000, -0.0000634500000000, 0.0000018400000000 ] - [ -0.0003985500000000, 0.0000000000000000, -0.0002452200000000 ] - [ -0.0009896100000000, -0.0003879000000000, 0.0000330200000000 ] - [ -0.0009896100000000, 0.0003879000000000, 0.0000330200000000 ] - [ -0.0006828600000000, 0.0000000000000000, -0.0002418400000000 ] - [ -0.0090623700000000, 0.0089520200000000, 0.0026716500000000 ] - [ -0.0090623700000000, -0.0089520200000000, 0.0026716500000000 ] - [ -0.0012292200000000, 0.0000000000000000, -0.0007738600000000 ] - [ -0.0000553100000000, -0.0005875700000000, 0.0021002800000000 ] - [ -0.0000553100000000, 0.0005875700000000, 0.0021002800000000 ] - [ -0.0000164400000000, 0.0000000000000000, 0.0011958400000000 ] - [ -0.0002923100000000, 0.0001512500000000, -0.0006892300000000 ] - [ -0.0002923100000000, -0.0001512500000000, -0.0006892300000000 ] - [ 0.0001072100000000, 0.0000000000000000, -0.0006028300000000 ] - [ -0.0002343800000000, 0.0000498700000000, 0.0005426900000000 ] - [ -0.0002343800000000, -0.0000498700000000, 0.0005426900000000 ] - [ -0.0003369700000000, 0.0000000000000000, 0.0004251500000000 ]- atom: 103 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002543300000000, -0.0009347000000000, -0.0018872400000000 ] - [ -0.0002543300000000, 0.0009347000000000, -0.0018872400000000 ] - [ 0.0002535900000000, 0.0000000000000000, -0.0009488600000000 ] - [ 0.0005464500000000, 0.0001275300000000, 0.0015373600000000 ] - [ 0.0005464500000000, -0.0001275300000000, 0.0015373600000000 ] - [ 0.0006279200000000, 0.0000000000000000, 0.0011328500000000 ] - [ 0.0000353000000000, 0.0008697300000000, -0.0166169900000000 ] - [ 0.0000353000000000, -0.0008697300000000, -0.0166169900000000 ] - [ -0.0000959300000000, 0.0000000000000000, -0.0021037600000000 ] - [ -0.0006602800000000, 0.0009171900000000, 0.0036504400000000 ] - [ -0.0006602800000000, -0.0009171900000000, 0.0036504400000000 ] - [ -0.0000216900000000, 0.0000000000000000, 0.0015783200000000 ] - [ -0.0052602000000000, 0.0000000000000000, -0.0217310600000000 ] - [ -0.0005167500000000, -0.0036570100000000, -0.0004147600000000 ] - [ -0.0005167500000000, 0.0036570100000000, -0.0004147600000000 ] - [ -0.0011799700000000, 0.0000000000000000, 0.0081660800000000 ] - [ 0.0000358800000000, 0.0023086500000000, 0.0028754200000000 ] - [ 0.0000358800000000, -0.0023086500000000, 0.0028754200000000 ] - [ 0.0000840300000000, 0.0000000000000000, -0.0009179700000000 ] - [ 0.0002448500000000, -0.0004602200000000, -0.0007916600000000 ] - [ 0.0002448500000000, 0.0004602200000000, -0.0007916600000000 ] - [ -0.0001545800000000, 0.0000000000000000, 0.0006826300000000 ] - [ 0.0000530900000000, 0.0003268500000000, 0.0004363400000000 ] - [ 0.0000530900000000, -0.0003268500000000, 0.0004363400000000 ] - [ 0.0004557700000000, 0.0000846500000000, -0.0004885300000000 ] - [ 0.0004557700000000, -0.0000846500000000, -0.0004885300000000 ] - [ 0.0005869400000000, 0.0000000000000000, -0.0004700700000000 ] - [ 0.0002908400000000, 0.0000387800000000, -0.0002162700000000 ] - [ 0.0002908400000000, -0.0000387800000000, -0.0002162700000000 ] - [ 0.0003100400000000, 0.0000000000000000, -0.0002690100000000 ] - [ 0.1385777800000000, 0.0000000000000000, -0.0745570600000000 ] - [ -0.0003947300000000, 0.0001224200000000, -0.0002709400000000 ] - [ -0.0003947300000000, -0.0001224200000000, -0.0002709400000000 ] - [ -0.0000980100000000, 0.0000000000000000, 0.0007901700000000 ] - [ -0.0001248400000000, -0.0000789500000000, 0.0006336100000000 ] - [ -0.0001248400000000, 0.0000789500000000, 0.0006336100000000 ] - [ -0.0002318500000000, 0.0000000000000000, -0.0005696400000000 ] - [ -0.0000281500000000, 0.0000038700000000, -0.0003367600000000 ] - [ -0.0000281500000000, -0.0000038700000000, -0.0003367600000000 ] - [ -0.0001053900000000, 0.0000000000000000, -0.0001242800000000 ] - [ -0.0000784800000000, -0.0000316000000000, -0.0001484800000000 ] - [ -0.0000784800000000, 0.0000316000000000, -0.0001484800000000 ] - [ -0.0014303700000000, -0.0012975100000000, 0.0006602000000000 ] - [ -0.0014303700000000, 0.0012975100000000, 0.0006602000000000 ] - [ 0.0002212300000000, 0.0000000000000000, 0.0002881400000000 ] - [ 0.0009037000000000, -0.0000715600000000, 0.0007422000000000 ] - [ 0.0009037000000000, 0.0000715600000000, 0.0007422000000000 ] - [ 0.0004018800000000, 0.0000000000000000, 0.0004543500000000 ] - [ -0.0009236600000000, 0.0000000000000000, -0.0009279000000000 ] - [ -0.0005577900000000, -0.0001630000000000, -0.0002664400000000 ] - [ -0.0005577900000000, 0.0001630000000000, -0.0002664400000000 ] - [ 0.0012789500000000, 0.0000000000000000, -0.0026159600000000 ] - [ -0.0001105300000000, 0.0000720500000000, -0.0002602100000000 ] - [ -0.0001105300000000, -0.0000720500000000, -0.0002602100000000 ] - [ 0.0011589700000000, -0.0001051700000000, 0.0007599300000000 ] - [ 0.0011589700000000, 0.0001051700000000, 0.0007599300000000 ] - [ 0.0002682100000000, 0.0000000000000000, 0.0002978000000000 ] - [ -0.0000297400000000, -0.0001708600000000, 0.0004477500000000 ] - [ -0.0000297400000000, 0.0001708600000000, 0.0004477500000000 ] - [ 0.0000737000000000, 0.0000000000000000, 0.0003235400000000 ] - [ -0.0010153700000000, -0.0013251400000000, -0.0008637100000000 ] - [ -0.0010153700000000, 0.0013251400000000, -0.0008637100000000 ] - [ -0.0000818700000000, 0.0000000000000000, -0.0003822600000000 ] - [ 0.0004280000000000, -0.0002362300000000, 0.0000689800000000 ] - [ 0.0004280000000000, 0.0002362300000000, 0.0000689800000000 ] - [ 0.0002650000000000, 0.0000000000000000, -0.0001691500000000 ] - [ 0.0004566900000000, 0.0000000000000000, -0.0002196600000000 ] - [ 0.0002867700000000, -0.0006298700000000, -0.0000761100000000 ] - [ 0.0002867700000000, 0.0006298700000000, -0.0000761100000000 ] - [ -0.0005344100000000, 0.0000000000000000, 0.0006268300000000 ] - [ -0.0005001300000000, 0.0001088300000000, 0.0005275600000000 ] - [ -0.0005001300000000, -0.0001088300000000, 0.0005275600000000 ] - [ 0.0003581300000000, 0.0000000000000000, 0.0011064400000000 ] - [ -0.0012644200000000, -0.0010088600000000, 0.0008721600000000 ] - [ -0.0012644200000000, 0.0010088600000000, 0.0008721600000000 ] - [ 0.0003963600000000, 0.0000000000000000, -0.0008766400000000 ] - [ 0.0001663600000000, 0.0000512200000000, -0.0005286000000000 ] - [ 0.0001663600000000, -0.0000512200000000, -0.0005286000000000 ] - [ 0.0054075800000000, 0.0000000000000000, -0.0002468800000000 ] - [ 0.0004823200000000, -0.0002924900000000, 0.0006504500000000 ] - [ 0.0004823200000000, 0.0002924900000000, 0.0006504500000000 ] - [ -0.0005477800000000, 0.0000000000000000, -0.0004825400000000 ] - [ -0.0003654600000000, 0.0002050100000000, -0.0003656800000000 ] - [ -0.0003654600000000, -0.0002050100000000, -0.0003656800000000 ] - [ 0.0006222700000000, -0.0001560200000000, -0.0000956300000000 ] - [ 0.0006222700000000, 0.0001560200000000, -0.0000956300000000 ] - [ 0.0000604200000000, 0.0000000000000000, -0.0000076000000000 ] - [ -0.0007308400000000, 0.0002765900000000, -0.0004138600000000 ] - [ -0.0007308400000000, -0.0002765900000000, -0.0004138600000000 ] - [ -0.0003032400000000, 0.0000000000000000, -0.0002825000000000 ] - [ -0.0054236700000000, -0.0045267900000000, -0.0017710400000000 ] - [ -0.0054236700000000, 0.0045267900000000, -0.0017710400000000 ] - [ -0.0001592600000000, 0.0000000000000000, 0.0004810500000000 ] - [ 0.0007076200000000, 0.0001554300000000, -0.0006417400000000 ] - [ 0.0007076200000000, -0.0001554300000000, -0.0006417400000000 ] - [ 0.0003320000000000, 0.0000000000000000, -0.0001540600000000 ] - [ -0.0001245200000000, 0.0000000000000000, 0.0014247200000000 ] - [ -0.0003423400000000, 0.0004170800000000, 0.0009609900000000 ] - [ -0.0003423400000000, -0.0004170800000000, 0.0009609900000000 ] - [ 0.0004308400000000, 0.0000000000000000, -0.0007878300000000 ] - [ 0.0003891300000000, -0.0000585700000000, -0.0006077500000000 ] - [ 0.0003891300000000, 0.0000585700000000, -0.0006077500000000 ] - [ -0.1331849400000000, 0.0000000000000000, 0.1621961500000000 ] - [ 0.0015167900000000, -0.0006655200000000, 0.0020501000000000 ] - [ 0.0015167900000000, 0.0006655200000000, 0.0020501000000000 ] - [ 0.0003570300000000, 0.0000000000000000, -0.0023056100000000 ] - [ 0.0004916500000000, 0.0002757200000000, -0.0016631300000000 ] - [ 0.0004916500000000, -0.0002757200000000, -0.0016631300000000 ] - [ 0.0008605100000000, 0.0000000000000000, 0.0007279200000000 ] - [ 0.0004199600000000, -0.0001182000000000, 0.0004832500000000 ] - [ 0.0004199600000000, 0.0001182000000000, 0.0004832500000000 ] - [ 0.0006138400000000, 0.0000000000000000, -0.0001510800000000 ] - [ 0.0005622300000000, 0.0001390600000000, -0.0000524300000000 ] - [ 0.0005622300000000, -0.0001390600000000, -0.0000524300000000 ] - [ -0.0108464700000000, 0.0000000000000000, -0.0074368300000000 ] - [ 0.0001308500000000, -0.0011209700000000, -0.0004596900000000 ] - [ 0.0001308500000000, 0.0011209700000000, -0.0004596900000000 ] - [ 0.0044929900000000, 0.0000000000000000, -0.0029191900000000 ] - [ 0.0008422300000000, 0.0006949700000000, -0.0010131000000000 ] - [ 0.0008422300000000, -0.0006949700000000, -0.0010131000000000 ] - [ -0.0007662000000000, -0.0037026800000000, -0.0026760600000000 ] - [ -0.0007662000000000, 0.0037026800000000, -0.0026760600000000 ] - [ -0.0002577900000000, 0.0000000000000000, -0.0005826400000000 ] - [ 0.0005033500000000, 0.0088357700000000, -0.0086718200000000 ] - [ 0.0005033500000000, -0.0088357700000000, -0.0086718200000000 ] - [ -0.0002151400000000, 0.0000000000000000, 0.0002940700000000 ] - [ -0.0014244800000000, -0.0000192800000000, -0.0004901200000000 ] - [ -0.0014244800000000, 0.0000192800000000, -0.0004901200000000 ] - [ -0.0008480300000000, 0.0000000000000000, -0.0002525900000000 ] - [ -0.0002115500000000, 0.0004240100000000, -0.0004962100000000 ] - [ -0.0002115500000000, -0.0004240100000000, -0.0004962100000000 ] - [ -0.0005870800000000, 0.0000000000000000, -0.0002525800000000 ] - [ 0.0078928900000000, -0.0090586100000000, -0.0022334700000000 ] - [ 0.0078928900000000, 0.0090586100000000, -0.0022334700000000 ] - [ -0.0000296400000000, 0.0000000000000000, 0.0012738200000000 ] - [ -0.0011964400000000, 0.0006330400000000, -0.0016282400000000 ] - [ -0.0011964400000000, -0.0006330400000000, -0.0016282400000000 ] - [ -0.0012256400000000, 0.0000000000000000, -0.0007158000000000 ] - [ -0.0004642300000000, -0.0000882500000000, 0.0005990000000000 ] - [ -0.0004642300000000, 0.0000882500000000, 0.0005990000000000 ] - [ -0.0008273200000000, 0.0000000000000000, 0.0004774400000000 ] - [ -0.0004794700000000, 0.0000222000000000, -0.0006677900000000 ] - [ -0.0004794700000000, -0.0000222000000000, -0.0006677900000000 ] - [ -0.0004645700000000, 0.0000000000000000, -0.0005437800000000 ]