# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/99c60c80-c99e-4200-88bb-b08ba0cb0803/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 K2Zn6O7 / P4_2/mnm (136) / materials id 540728](https://mdr.nims.go.jp/datasets/a5ce569b-71ff-4c96-b6ff-495d362cd4a9) ## 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: "P4_2/mnm" number: 136 Hall_symbol: "-P 4n 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 4 ]primitive_cell: lattice: - [ 10.848673890000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.848673890000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 3.327951470000000 ] # c points: - symbol: K # 1 coordinates: [ 0.358132750000000, 0.358132750000000, 0.500000000000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.141867250000000, 0.858132750000000, 0.000000000000000 ] mass: 39.098300 - symbol: K # 3 coordinates: [ 0.858132750000000, 0.141867250000000, 0.000000000000000 ] mass: 39.098300 - symbol: K # 4 coordinates: [ 0.641867250000000, 0.641867250000000, 0.500000000000000 ] mass: 39.098300 - symbol: Zn # 5 coordinates: [ 0.348512410000000, 0.087227910000000, 0.000000000000000 ] mass: 65.380000 - symbol: Zn # 6 coordinates: [ 0.412772090000000, 0.848512410000000, 0.500000000000000 ] mass: 65.380000 - symbol: Zn # 7 coordinates: [ 0.587227910000000, 0.151487590000000, 0.500000000000000 ] mass: 65.380000 - symbol: Zn # 8 coordinates: [ 0.651487590000000, 0.912772090000000, 0.000000000000000 ] mass: 65.380000 - symbol: Zn # 9 coordinates: [ 0.151487590000000, 0.587227910000000, 0.500000000000000 ] mass: 65.380000 - symbol: Zn # 10 coordinates: [ 0.848512410000000, 0.412772090000000, 0.500000000000000 ] mass: 65.380000 - symbol: Zn # 11 coordinates: [ 0.912772090000000, 0.651487590000000, 0.000000000000000 ] mass: 65.380000 - symbol: Zn # 12 coordinates: [ 0.087227910000000, 0.348512410000000, 0.000000000000000 ] mass: 65.380000 - symbol: Zn # 13 coordinates: [ 0.121483200000000, 0.121483200000000, 0.500000000000000 ] mass: 65.380000 - symbol: Zn # 14 coordinates: [ 0.378516800000000, 0.621483200000000, 0.000000000000000 ] mass: 65.380000 - symbol: Zn # 15 coordinates: [ 0.621483200000000, 0.378516800000000, 0.000000000000000 ] mass: 65.380000 - symbol: Zn # 16 coordinates: [ 0.878516800000000, 0.878516800000000, 0.500000000000000 ] mass: 65.380000 - symbol: O # 17 coordinates: [ 0.312162800000000, 0.996651040000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.503348960000000, 0.812162800000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.496651040000000, 0.187837200000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.687837200000000, 0.003348960000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.187837200000000, 0.496651040000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.812162800000000, 0.503348960000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.003348960000000, 0.687837200000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.996651040000000, 0.312162800000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.192389660000000, 0.192389660000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.307610340000000, 0.692389660000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.692389660000000, 0.307610340000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.807610340000000, 0.807610340000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.092177164705980, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.092177164705980, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.300485151004921 ] # c*unit_cell: lattice: - [ 10.848673890000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.848673890000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 3.327951470000000 ] # c points: - symbol: K # 1 coordinates: [ 0.358132750000000, 0.358132750000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.141867250000000, 0.858132750000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.858132750000000, 0.141867250000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.641867250000000, 0.641867250000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 4 - symbol: Zn # 5 coordinates: [ 0.348512410000000, 0.087227910000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 6 coordinates: [ 0.412772090000000, 0.848512410000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 6 - symbol: Zn # 7 coordinates: [ 0.587227910000000, 0.151487590000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 8 coordinates: [ 0.651487590000000, 0.912772090000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 8 - symbol: Zn # 9 coordinates: [ 0.151487590000000, 0.587227910000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 10 coordinates: [ 0.848512410000000, 0.412772090000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 10 - symbol: Zn # 11 coordinates: [ 0.912772090000000, 0.651487590000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 11 - symbol: Zn # 12 coordinates: [ 0.087227910000000, 0.348512410000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 12 - symbol: Zn # 13 coordinates: [ 0.121483200000000, 0.121483200000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 14 coordinates: [ 0.378516800000000, 0.621483200000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 14 - symbol: Zn # 15 coordinates: [ 0.621483200000000, 0.378516800000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 15 - symbol: Zn # 16 coordinates: [ 0.878516800000000, 0.878516800000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.312162800000000, 0.996651040000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.503348960000000, 0.812162800000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.496651040000000, 0.187837200000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.687837200000000, 0.003348960000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.187837200000000, 0.496651040000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.812162800000000, 0.503348960000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.003348960000000, 0.687837200000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.996651040000000, 0.312162800000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.192389660000000, 0.192389660000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.307610340000000, 0.692389660000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.692389660000000, 0.307610340000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.807610340000000, 0.807610340000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 30supercell: lattice: - [ 10.848673890000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.848673890000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.311805880000000 ] # c points: - symbol: K # 1 coordinates: [ 0.358132750000000, 0.358132750000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.358132750000000, 0.358132750000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 3 coordinates: [ 0.358132750000000, 0.358132750000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 4 coordinates: [ 0.358132750000000, 0.358132750000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 5 coordinates: [ 0.141867250000000, 0.858132750000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.141867250000000, 0.858132750000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 7 coordinates: [ 0.141867250000000, 0.858132750000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 8 coordinates: [ 0.141867250000000, 0.858132750000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 9 coordinates: [ 0.858132750000000, 0.141867250000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 10 coordinates: [ 0.858132750000000, 0.141867250000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 11 coordinates: [ 0.858132750000000, 0.141867250000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 12 coordinates: [ 0.858132750000000, 0.141867250000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 13 coordinates: [ 0.641867250000000, 0.641867250000000, 0.125000000000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 14 coordinates: [ 0.641867250000000, 0.641867250000000, 0.375000000000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 15 coordinates: [ 0.641867250000000, 0.641867250000000, 0.625000000000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 16 coordinates: [ 0.641867250000000, 0.641867250000000, 0.875000000000000 ] mass: 39.098300 reduced_to: 13 - symbol: Zn # 17 coordinates: [ 0.348512410000000, 0.087227910000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 18 coordinates: [ 0.348512410000000, 0.087227910000000, 0.250000000000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 19 coordinates: [ 0.348512410000000, 0.087227910000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 20 coordinates: [ 0.348512410000000, 0.087227910000000, 0.750000000000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 21 coordinates: [ 0.412772090000000, 0.848512410000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 22 coordinates: [ 0.412772090000000, 0.848512410000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 23 coordinates: [ 0.412772090000000, 0.848512410000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 24 coordinates: [ 0.412772090000000, 0.848512410000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 25 coordinates: [ 0.587227910000000, 0.151487590000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 26 coordinates: [ 0.587227910000000, 0.151487590000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 27 coordinates: [ 0.587227910000000, 0.151487590000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 28 coordinates: [ 0.587227910000000, 0.151487590000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 29 coordinates: [ 0.651487590000000, 0.912772090000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 29 - symbol: Zn # 30 coordinates: [ 0.651487590000000, 0.912772090000000, 0.250000000000000 ] mass: 65.380000 reduced_to: 29 - symbol: Zn # 31 coordinates: [ 0.651487590000000, 0.912772090000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 29 - symbol: Zn # 32 coordinates: [ 0.651487590000000, 0.912772090000000, 0.750000000000000 ] mass: 65.380000 reduced_to: 29 - symbol: Zn # 33 coordinates: [ 0.151487590000000, 0.587227910000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 33 - symbol: Zn # 34 coordinates: [ 0.151487590000000, 0.587227910000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 33 - symbol: Zn # 35 coordinates: [ 0.151487590000000, 0.587227910000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 33 - symbol: Zn # 36 coordinates: [ 0.151487590000000, 0.587227910000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 33 - symbol: Zn # 37 coordinates: [ 0.848512410000000, 0.412772090000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 37 - symbol: Zn # 38 coordinates: [ 0.848512410000000, 0.412772090000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 37 - symbol: Zn # 39 coordinates: [ 0.848512410000000, 0.412772090000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 37 - symbol: Zn # 40 coordinates: [ 0.848512410000000, 0.412772090000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 37 - symbol: Zn # 41 coordinates: [ 0.912772090000000, 0.651487590000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 41 - symbol: Zn # 42 coordinates: [ 0.912772090000000, 0.651487590000000, 0.250000000000000 ] mass: 65.380000 reduced_to: 41 - symbol: Zn # 43 coordinates: [ 0.912772090000000, 0.651487590000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 41 - symbol: Zn # 44 coordinates: [ 0.912772090000000, 0.651487590000000, 0.750000000000000 ] mass: 65.380000 reduced_to: 41 - symbol: Zn # 45 coordinates: [ 0.087227910000000, 0.348512410000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 45 - symbol: Zn # 46 coordinates: [ 0.087227910000000, 0.348512410000000, 0.250000000000000 ] mass: 65.380000 reduced_to: 45 - symbol: Zn # 47 coordinates: [ 0.087227910000000, 0.348512410000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 45 - symbol: Zn # 48 coordinates: [ 0.087227910000000, 0.348512410000000, 0.750000000000000 ] mass: 65.380000 reduced_to: 45 - symbol: Zn # 49 coordinates: [ 0.121483200000000, 0.121483200000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 50 coordinates: [ 0.121483200000000, 0.121483200000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 51 coordinates: [ 0.121483200000000, 0.121483200000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 52 coordinates: [ 0.121483200000000, 0.121483200000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 53 coordinates: [ 0.378516800000000, 0.621483200000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 53 - symbol: Zn # 54 coordinates: [ 0.378516800000000, 0.621483200000000, 0.250000000000000 ] mass: 65.380000 reduced_to: 53 - symbol: Zn # 55 coordinates: [ 0.378516800000000, 0.621483200000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 53 - symbol: Zn # 56 coordinates: [ 0.378516800000000, 0.621483200000000, 0.750000000000000 ] mass: 65.380000 reduced_to: 53 - symbol: Zn # 57 coordinates: [ 0.621483200000000, 0.378516800000000, 0.000000000000000 ] mass: 65.380000 reduced_to: 57 - symbol: Zn # 58 coordinates: [ 0.621483200000000, 0.378516800000000, 0.250000000000000 ] mass: 65.380000 reduced_to: 57 - symbol: Zn # 59 coordinates: [ 0.621483200000000, 0.378516800000000, 0.500000000000000 ] mass: 65.380000 reduced_to: 57 - symbol: Zn # 60 coordinates: [ 0.621483200000000, 0.378516800000000, 0.750000000000000 ] mass: 65.380000 reduced_to: 57 - symbol: Zn # 61 coordinates: [ 0.878516800000000, 0.878516800000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 61 - symbol: Zn # 62 coordinates: [ 0.878516800000000, 0.878516800000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 61 - symbol: Zn # 63 coordinates: [ 0.878516800000000, 0.878516800000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 61 - symbol: Zn # 64 coordinates: [ 0.878516800000000, 0.878516800000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.312162800000000, 0.996651040000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.312162800000000, 0.996651040000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.312162800000000, 0.996651040000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.312162800000000, 0.996651040000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.503348960000000, 0.812162800000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.503348960000000, 0.812162800000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.503348960000000, 0.812162800000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.503348960000000, 0.812162800000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.496651040000000, 0.187837200000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.496651040000000, 0.187837200000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.496651040000000, 0.187837200000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.496651040000000, 0.187837200000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.687837200000000, 0.003348960000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.687837200000000, 0.003348960000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.687837200000000, 0.003348960000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.687837200000000, 0.003348960000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.187837200000000, 0.496651040000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.187837200000000, 0.496651040000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.187837200000000, 0.496651040000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.187837200000000, 0.496651040000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.812162800000000, 0.503348960000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.812162800000000, 0.503348960000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.812162800000000, 0.503348960000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.812162800000000, 0.503348960000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.003348960000000, 0.687837200000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.003348960000000, 0.687837200000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.003348960000000, 0.687837200000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.003348960000000, 0.687837200000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.996651040000000, 0.312162800000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.996651040000000, 0.312162800000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.996651040000000, 0.312162800000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.996651040000000, 0.312162800000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.192389660000000, 0.192389660000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.192389660000000, 0.192389660000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.192389660000000, 0.192389660000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.192389660000000, 0.192389660000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.307610340000000, 0.692389660000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.307610340000000, 0.692389660000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.307610340000000, 0.692389660000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 104 coordinates: [ 0.307610340000000, 0.692389660000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 105 coordinates: [ 0.692389660000000, 0.307610340000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.692389660000000, 0.307610340000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.692389660000000, 0.307610340000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.692389660000000, 0.307610340000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.807610340000000, 0.807610340000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.807610340000000, 0.807610340000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.807610340000000, 0.807610340000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.807610340000000, 0.807610340000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.000000000000000, 0.000000000000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.000000000000000, 0.000000000000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.000000000000000, 0.000000000000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 116 coordinates: [ 0.000000000000000, 0.000000000000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 117 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 120 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 117born_effective_charge:- # 1 (K) - [ 1.257707070000000, 0.002098330000000, 0.000000000000000 ] - [ 0.002098330000000, 1.257707070000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.161247420000000 ]- # 2 (K) - [ 1.257707070000000, -0.002098330000000, 0.000000000000000 ] - [ -0.002098330000000, 1.257707070000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.161247420000000 ]- # 3 (K) - [ 1.257707070000000, -0.002098330000000, 0.000000000000000 ] - [ -0.002098330000000, 1.257707070000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.161247420000000 ]- # 4 (K) - [ 1.257707070000000, 0.002098330000000, 0.000000000000000 ] - [ 0.002098330000000, 1.257707070000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.161247420000000 ]- # 5 (Zn) - [ 2.300931130000000, 0.069890460000000, 0.000000000000000 ] - [ 0.110255860000000, 1.679580280000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.156876210000000 ]- # 6 (Zn) - [ 1.679580280000000, -0.110255860000000, 0.000000000000000 ] - [ -0.069890460000000, 2.300931130000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.156876210000000 ]- # 7 (Zn) - [ 1.679580280000000, -0.110255860000000, 0.000000000000000 ] - [ -0.069890460000000, 2.300931130000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.156876210000000 ]- # 8 (Zn) - [ 2.300931130000000, 0.069890460000000, 0.000000000000000 ] - [ 0.110255860000000, 1.679580280000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.156876210000000 ]- # 9 (Zn) - [ 2.300931130000000, -0.069890460000000, 0.000000000000000 ] - [ -0.110255860000000, 1.679580280000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.156876210000000 ]- # 10 (Zn) - [ 2.300931130000000, -0.069890460000000, 0.000000000000000 ] - [ -0.110255860000000, 1.679580280000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.156876210000000 ]- # 11 (Zn) - [ 1.679580280000000, 0.110255860000000, 0.000000000000000 ] - [ 0.069890460000000, 2.300931130000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.156876210000000 ]- # 12 (Zn) - [ 1.679580280000000, 0.110255860000000, 0.000000000000000 ] - [ 0.069890460000000, 2.300931130000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.156876210000000 ]- # 13 (Zn) - [ 2.096630540000000, 0.167468610000000, 0.000000000000000 ] - [ 0.167468610000000, 2.096630550000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.270516200000000 ]- # 14 (Zn) - [ 2.096630550000000, -0.167468610000000, 0.000000000000000 ] - [ -0.167468610000000, 2.096630540000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.270516200000000 ]- # 15 (Zn) - [ 2.096630550000000, -0.167468610000000, 0.000000000000000 ] - [ -0.167468610000000, 2.096630540000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.270516200000000 ]- # 16 (Zn) - [ 2.096630540000000, 0.167468610000000, 0.000000000000000 ] - [ 0.167468610000000, 2.096630550000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.270516200000000 ]- # 17 (O) - [ -1.911917190000000, 0.358309790000000, 0.000000000000000 ] - [ 0.269308480000000, -2.216915630000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.293423780000000 ]- # 18 (O) - [ -2.216915630000000, -0.269308480000000, 0.000000000000000 ] - [ -0.358309790000000, -1.911917190000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.293423780000000 ]- # 19 (O) - [ -2.216915630000000, -0.269308480000000, 0.000000000000000 ] - [ -0.358309790000000, -1.911917190000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.293423780000000 ]- # 20 (O) - [ -1.911917190000000, 0.358309790000000, 0.000000000000000 ] - [ 0.269308480000000, -2.216915630000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.293423780000000 ]- # 21 (O) - [ -1.911917190000000, -0.358309790000000, 0.000000000000000 ] - [ -0.269308480000000, -2.216915630000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.293423780000000 ]- # 22 (O) - [ -1.911917190000000, -0.358309790000000, 0.000000000000000 ] - [ -0.269308480000000, -2.216915630000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.293423780000000 ]- # 23 (O) - [ -2.216915630000000, 0.269308480000000, 0.000000000000000 ] - [ 0.358309790000000, -1.911917190000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.293423780000000 ]- # 24 (O) - [ -2.216915630000000, 0.269308480000000, 0.000000000000000 ] - [ 0.358309790000000, -1.911917190000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.293423780000000 ]- # 25 (O) - [ -2.125001370000000, 0.371606100000000, 0.000000000000000 ] - [ 0.371606110000000, -2.125001370000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.409420990000000 ]- # 26 (O) - [ -2.125001370000000, -0.371606110000000, 0.000000000000000 ] - [ -0.371606100000000, -2.125001370000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.409420990000000 ]- # 27 (O) - [ -2.125001370000000, -0.371606110000000, 0.000000000000000 ] - [ -0.371606100000000, -2.125001370000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.409420990000000 ]- # 28 (O) - [ -2.125001370000000, 0.371606100000000, 0.000000000000000 ] - [ 0.371606110000000, -2.125001370000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.409420990000000 ]- # 29 (O) - [ -2.162029690000000, -0.656115860000000, 0.000000000000000 ] - [ -0.656115860000000, -2.162029690000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.498494950000000 ]- # 30 (O) - [ -2.162029690000000, 0.656115860000000, 0.000000000000000 ] - [ 0.656115860000000, -2.162029690000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.498494950000000 ]dielectric_constant: - [ 4.568058400000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.568058400000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.565580240000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0300415600000000, -0.0002654800000000, 0.0000000000000000 ] - [ -0.0020360000000000, -0.0002515300000000, -0.0000000400000000 ] - [ -0.0003317900000000, -0.0001316400000000, 0.0000000000000000 ] - [ -0.0020360000000000, -0.0002515300000000, 0.0000000400000000 ] - [ 0.0000646100000000, -0.0000855800000000, 0.0000937400000000 ] - [ 0.0000646100000000, -0.0000855800000000, -0.0000937400000000 ] - [ 0.0000895900000000, -0.0001260600000000, -0.0000545100000000 ] - [ 0.0000895900000000, -0.0001260600000000, 0.0000545100000000 ] - [ 0.0006026200000000, 0.0000846200000000, -0.0000459700000000 ] - [ 0.0006026200000000, 0.0000846200000000, 0.0000459700000000 ] - [ 0.0000860100000000, 0.0001259100000000, -0.0000036800000000 ] - [ 0.0000860100000000, 0.0001259100000000, 0.0000036800000000 ] - [ 0.0009952300000000, 0.0012257800000000, 0.0000000000000000 ] - [ 0.0003751000000000, 0.0004207600000000, 0.0003113700000000 ] - [ 0.0001784000000000, 0.0001830000000000, 0.0000000000000000 ] - [ 0.0003751000000000, 0.0004207600000000, -0.0003113700000000 ] - [ -0.0028318100000000, 0.0002030000000000, 0.0003029000000000 ] - [ -0.0028318100000000, 0.0002030000000000, -0.0003029000000000 ] - [ -0.0000852000000000, -0.0002369000000000, -0.0000034900000000 ] - [ -0.0000852000000000, -0.0002369000000000, 0.0000034900000000 ] - [ -0.0003960100000000, 0.0004041800000000, 0.0000000000000000 ] - [ -0.0000865200000000, 0.0003810300000000, 0.0001698900000000 ] - [ 0.0000844700000000, 0.0003516400000000, 0.0000000000000000 ] - [ -0.0000865200000000, 0.0003810300000000, -0.0001698900000000 ] - [ 0.0030420400000000, -0.0052021200000000, 0.0000000000000000 ] - [ 0.0002806100000000, -0.0007675800000000, 0.0009844500000000 ] - [ -0.0000880200000000, -0.0004512000000000, 0.0000000000000000 ] - [ 0.0002806100000000, -0.0007675800000000, -0.0009844500000000 ] - [ -0.0001258100000000, -0.0001711100000000, -0.0002332500000000 ] - [ -0.0001258100000000, -0.0001711100000000, 0.0002332500000000 ] - [ -0.0003142400000000, 0.0000473700000000, 0.0001400000000000 ] - [ -0.0003142400000000, 0.0000473700000000, -0.0001400000000000 ] - [ 0.0020502800000000, -0.0051259000000000, 0.0000000000000000 ] - [ -0.0003169500000000, -0.0011685700000000, -0.0012556100000000 ] - [ -0.0003500600000000, -0.0004348600000000, 0.0000000000000000 ] - [ -0.0003169500000000, -0.0011685700000000, 0.0012556100000000 ] - [ 0.0030377500000000, 0.0003931700000000, 0.0000000000000000 ] - [ 0.0013643100000000, 0.0001140900000000, 0.0001378000000000 ] - [ 0.0006556900000000, 0.0001617300000000, 0.0000000000000000 ] - [ 0.0013643100000000, 0.0001140900000000, -0.0001378000000000 ] - [ 0.0009223300000000, -0.0002384100000000, 0.0001791100000000 ] - [ 0.0009223300000000, -0.0002384100000000, -0.0001791100000000 ] - [ 0.0004284100000000, -0.0002897000000000, -0.0001118300000000 ] - [ 0.0004284100000000, -0.0002897000000000, 0.0001118300000000 ] - [ 0.0050768800000000, 0.0007928800000000, 0.0036517000000000 ] - [ 0.0050768800000000, 0.0007928800000000, -0.0036517000000000 ] - [ -0.0002604800000000, 0.0003378100000000, -0.0003683400000000 ] - [ -0.0002604800000000, 0.0003378100000000, 0.0003683400000000 ] - [ 0.0024525400000000, 0.0035269900000000, 0.0000000000000000 ] - [ 0.0009635800000000, 0.0012717400000000, -0.0011826300000000 ] - [ 0.0006884000000000, 0.0007951000000000, 0.0000000000000000 ] - [ 0.0009635800000000, 0.0012717400000000, 0.0011826300000000 ] - [ -0.0039904100000000, 0.0019463000000000, -0.0002925200000000 ] - [ -0.0039904100000000, 0.0019463000000000, 0.0002925200000000 ] - [ -0.0010092200000000, 0.0007541100000000, 0.0000616500000000 ] - [ -0.0010092200000000, 0.0007541100000000, -0.0000616500000000 ] - [ 0.0071867500000000, -0.0000734600000000, -0.0049136200000000 ] - [ 0.0071867500000000, -0.0000734600000000, 0.0049136200000000 ] - [ 0.0006503500000000, -0.0005041800000000, 0.0004182500000000 ] - [ 0.0006503500000000, -0.0005041800000000, -0.0004182500000000 ] - [ 0.0001629800000000, -0.0006835300000000, 0.0000000000000000 ] - [ -0.0002224000000000, -0.0006339200000000, 0.0000252500000000 ] - [ -0.0004895100000000, -0.0006280800000000, 0.0000000000000000 ] - [ -0.0002224000000000, -0.0006339200000000, -0.0000252500000000 ] - [ 0.0011557100000000, -0.0003940700000000, 0.0000000000000000 ] - [ 0.0006457500000000, -0.0001553500000000, 0.0000607400000000 ] - [ 0.0001082900000000, -0.0000239600000000, 0.0000000000000000 ] - [ 0.0006457500000000, -0.0001553500000000, -0.0000607400000000 ] - [ 0.0003174600000000, -0.0003829900000000, 0.0000265600000000 ] - [ 0.0003174600000000, -0.0003829900000000, -0.0000265600000000 ] - [ 0.0001534900000000, -0.0000968300000000, -0.0000294700000000 ] - [ 0.0001534900000000, -0.0000968300000000, 0.0000294700000000 ] - [ 0.0019853400000000, 0.0007195700000000, 0.0003124200000000 ] - [ 0.0019853400000000, 0.0007195700000000, -0.0003124200000000 ] - [ 0.0002615600000000, 0.0001594800000000, -0.0003716900000000 ] - [ 0.0002615600000000, 0.0001594800000000, 0.0003716900000000 ] - [ -0.0006453800000000, 0.0009636600000000, 0.0000000000000000 ] - [ -0.0002907100000000, 0.0003624300000000, -0.0002500700000000 ] - [ -0.0000336700000000, 0.0000999700000000, 0.0000000000000000 ] - [ -0.0002907100000000, 0.0003624300000000, 0.0002500700000000 ] - [ 0.0014414800000000, 0.0009371100000000, -0.0005308700000000 ] - [ 0.0014414800000000, 0.0009371100000000, 0.0005308700000000 ] - [ 0.0002640300000000, 0.0001241900000000, 0.0004226400000000 ] - [ 0.0002640300000000, 0.0001241900000000, -0.0004226400000000 ] - [ -0.0013573000000000, -0.0003816700000000, 0.0001514200000000 ] - [ -0.0013573000000000, -0.0003816700000000, -0.0001514200000000 ] - [ -0.0004091000000000, -0.0000796500000000, -0.0000532600000000 ] - [ -0.0004091000000000, -0.0000796500000000, 0.0000532600000000 ] - [ -0.0010044300000000, 0.0005810400000000, 0.0000000000000000 ] - [ -0.0005037400000000, 0.0003045100000000, 0.0002189300000000 ] - [ -0.0001459000000000, 0.0001078600000000, 0.0000000000000000 ] - [ -0.0005037400000000, 0.0003045100000000, -0.0002189300000000 ] - [ -0.0027024100000000, -0.0000099300000000, 0.0000000000000000 ] - [ -0.0009061500000000, -0.0000714300000000, 0.0008719600000000 ] - [ -0.0002028400000000, -0.0000590400000000, 0.0000000000000000 ] - [ -0.0009061500000000, -0.0000714300000000, -0.0008719600000000 ] - [ 0.0001128900000000, -0.0019509100000000, -0.0011046500000000 ] - [ 0.0001128900000000, -0.0019509100000000, 0.0011046500000000 ] - [ -0.0001162100000000, -0.0004281300000000, 0.0003760500000000 ] - [ -0.0001162100000000, -0.0004281300000000, -0.0003760500000000 ] - [ 0.0020295700000000, 0.0000589600000000, 0.0000000000000000 ] - [ 0.0012297500000000, -0.0001938500000000, -0.0000028700000000 ] - [ 0.0005512500000000, -0.0002821600000000, 0.0000000000000000 ] - [ 0.0012297500000000, -0.0001938500000000, 0.0000028700000000 ] - [ -0.0038783500000000, 0.0005430800000000, 0.0000000000000000 ] - [ -0.0010625600000000, 0.0004163500000000, -0.0008805000000000 ] - [ -0.0005171700000000, 0.0003146100000000, 0.0000000000000000 ] - [ -0.0010625600000000, 0.0004163500000000, 0.0008805000000000 ] - [ -0.0002132000000000, 0.0003941600000000, 0.0000083400000000 ] - [ -0.0002132000000000, 0.0003941600000000, -0.0000083400000000 ] - [ 0.0000800400000000, 0.0003723400000000, 0.0000056800000000 ] - [ 0.0000800400000000, 0.0003723400000000, -0.0000056800000000 ] - [ -0.0008053900000000, -0.0006552100000000, 0.0000000000000000 ] - [ -0.0004305300000000, -0.0003250800000000, 0.0001849000000000 ] - [ -0.0001088400000000, -0.0000658500000000, 0.0000000000000000 ] - [ -0.0004305300000000, -0.0003250800000000, -0.0001849000000000 ] - [ 0.0040402000000000, 0.0007896500000000, -0.0012664600000000 ] - [ 0.0040402000000000, 0.0007896500000000, 0.0012664600000000 ] - [ 0.0002198000000000, -0.0000954000000000, -0.0002987200000000 ] - [ 0.0002198000000000, -0.0000954000000000, 0.0002987200000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0296807300000000, -0.0001572100000000, 0.0000000000000000 ] - [ 0.0017671600000000, -0.0000202100000000, -0.0000308800000000 ] - [ 0.0000606500000000, -0.0001380700000000, 0.0000000000000000 ] - [ 0.0017671600000000, -0.0000202100000000, 0.0000308800000000 ] - [ 0.0002085100000000, -0.0001844800000000, -0.0000934500000000 ] - [ 0.0002085100000000, -0.0001844800000000, 0.0000934500000000 ] - [ 0.0001822200000000, -0.0001442400000000, 0.0000553200000000 ] - [ 0.0001822200000000, -0.0001442400000000, -0.0000553200000000 ] - [ -0.0008747700000000, 0.0001825400000000, 0.0000426800000000 ] - [ -0.0008747700000000, 0.0001825400000000, -0.0000426800000000 ] - [ -0.0003575700000000, 0.0001446400000000, 0.0000043400000000 ] - [ -0.0003575700000000, 0.0001446400000000, -0.0000043400000000 ] - [ -0.0007218200000000, -0.0009439900000000, 0.0000000000000000 ] - [ -0.0001048000000000, -0.0001479200000000, -0.0003102500000000 ] - [ 0.0000925200000000, 0.0000888300000000, 0.0000000000000000 ] - [ -0.0001048000000000, -0.0001479200000000, 0.0003102500000000 ] - [ 0.0035299600000000, -0.0005745500000000, -0.0002879000000000 ] - [ 0.0035299600000000, -0.0005745500000000, 0.0002879000000000 ] - [ 0.0007743800000000, -0.0001572400000000, 0.0000031200000000 ] - [ 0.0007743800000000, -0.0001572400000000, -0.0000031200000000 ] - [ 0.0007884500000000, 0.0002860700000000, 0.0000000000000000 ] - [ 0.0004807900000000, 0.0003085100000000, -0.0001707700000000 ] - [ 0.0003098800000000, 0.0003373400000000, 0.0000000000000000 ] - [ 0.0004807900000000, 0.0003085100000000, 0.0001707700000000 ] - [ -0.0034198400000000, 0.0044424700000000, 0.0000000000000000 ] - [ -0.0006830500000000, 0.0000769500000000, -0.0009896400000000 ] - [ -0.0003097000000000, -0.0002370600000000, 0.0000000000000000 ] - [ -0.0006830500000000, 0.0000769500000000, 0.0009896400000000 ] - [ -0.0005646600000000, 0.0005677300000000, 0.0002319200000000 ] - [ -0.0005646600000000, 0.0005677300000000, -0.0002319200000000 ] - [ -0.0003741300000000, 0.0003492600000000, -0.0001404500000000 ] - [ -0.0003741300000000, 0.0003492600000000, 0.0001404500000000 ] - [ -0.0027556600000000, 0.0047853900000000, 0.0000000000000000 ] - [ -0.0003724600000000, 0.0007734400000000, 0.0012555700000000 ] - [ -0.0003378400000000, 0.0000396000000000, 0.0000000000000000 ] - [ -0.0003724600000000, 0.0007734400000000, -0.0012555700000000 ] - [ -0.0023487900000000, 0.0000168200000000, 0.0000000000000000 ] - [ -0.0006759000000000, 0.0002799300000000, -0.0001332800000000 ] - [ 0.0000300300000000, 0.0002317200000000, 0.0000000000000000 ] - [ -0.0006759000000000, 0.0002799300000000, 0.0001332800000000 ] - [ -0.0005253500000000, -0.0004453800000000, -0.0001809300000000 ] - [ -0.0005253500000000, -0.0004453800000000, 0.0001809300000000 ] - [ -0.0000328700000000, -0.0003965900000000, 0.0001111300000000 ] - [ -0.0000328700000000, -0.0003965900000000, -0.0001111300000000 ] - [ -0.0055431400000000, -0.0001089000000000, -0.0037290300000000 ] - [ -0.0055431400000000, -0.0001089000000000, 0.0037290300000000 ] - [ -0.0001321600000000, 0.0003508200000000, 0.0003680600000000 ] - [ -0.0001321600000000, 0.0003508200000000, -0.0003680600000000 ] - [ -0.0011840000000000, -0.0022843500000000, 0.0000000000000000 ] - [ 0.0003127100000000, -0.0000014200000000, 0.0011838500000000 ] - [ 0.0005884500000000, 0.0004808200000000, 0.0000000000000000 ] - [ 0.0003127100000000, -0.0000014200000000, -0.0011838500000000 ] - [ 0.0027179200000000, -0.0006969300000000, 0.0003057600000000 ] - [ 0.0027179200000000, -0.0006969300000000, -0.0003057600000000 ] - [ -0.0002644100000000, 0.0005186700000000, -0.0000630500000000 ] - [ -0.0002644100000000, 0.0005186700000000, 0.0000630500000000 ] - [ -0.0058301500000000, -0.0011833400000000, 0.0048226300000000 ] - [ -0.0058301500000000, -0.0011833400000000, -0.0048226300000000 ] - [ 0.0006221600000000, -0.0007693000000000, -0.0004162400000000 ] - [ 0.0006221600000000, -0.0007693000000000, 0.0004162400000000 ] - [ -0.0014395900000000, -0.0005886200000000, 0.0000000000000000 ] - [ -0.0010538800000000, -0.0006382700000000, -0.0000249800000000 ] - [ -0.0007861100000000, -0.0006449400000000, 0.0000000000000000 ] - [ -0.0010538800000000, -0.0006382700000000, 0.0000249800000000 ] - [ -0.0013107600000000, 0.0004094100000000, 0.0000000000000000 ] - [ -0.0008039400000000, 0.0001736600000000, -0.0000608400000000 ] - [ -0.0002759400000000, 0.0000394400000000, 0.0000000000000000 ] - [ -0.0008039400000000, 0.0001736600000000, 0.0000608400000000 ] - [ -0.0003360900000000, 0.0002279000000000, -0.0000240300000000 ] - [ -0.0003360900000000, 0.0002279000000000, 0.0000240300000000 ] - [ -0.0001731700000000, -0.0000541300000000, 0.0000286100000000 ] - [ -0.0001731700000000, -0.0000541300000000, -0.0000286100000000 ] - [ -0.0019088400000000, -0.0006182300000000, -0.0003539800000000 ] - [ -0.0019088400000000, -0.0006182300000000, 0.0003539800000000 ] - [ -0.0002387600000000, -0.0000143800000000, 0.0003740300000000 ] - [ -0.0002387600000000, -0.0000143800000000, -0.0003740300000000 ] - [ 0.0008072200000000, -0.0009795600000000, 0.0000000000000000 ] - [ 0.0004555300000000, -0.0003873000000000, 0.0002505100000000 ] - [ 0.0001910600000000, -0.0001218000000000, 0.0000000000000000 ] - [ 0.0004555300000000, -0.0003873000000000, -0.0002505100000000 ] - [ -0.0013501400000000, -0.0008746200000000, 0.0004780200000000 ] - [ -0.0013501400000000, -0.0008746200000000, -0.0004780200000000 ] - [ -0.0001113100000000, -0.0001040500000000, -0.0004231300000000 ] - [ -0.0001113100000000, -0.0001040500000000, 0.0004231300000000 ] - [ 0.0011945000000000, 0.0003546500000000, -0.0001421500000000 ] - [ 0.0011945000000000, 0.0003546500000000, 0.0001421500000000 ] - [ 0.0002531500000000, 0.0000606300000000, 0.0000512500000000 ] - [ 0.0002531500000000, 0.0000606300000000, -0.0000512500000000 ] - [ 0.0009827700000000, -0.0004335300000000, 0.0000000000000000 ] - [ 0.0004792900000000, -0.0001541700000000, -0.0002191600000000 ] - [ 0.0001226100000000, 0.0000469200000000, 0.0000000000000000 ] - [ 0.0004792900000000, -0.0001541700000000, 0.0002191600000000 ] - [ 0.0027395300000000, -0.0001345400000000, 0.0000000000000000 ] - [ 0.0009249100000000, -0.0000689900000000, -0.0008798300000000 ] - [ 0.0002188800000000, -0.0001073800000000, 0.0000000000000000 ] - [ 0.0009249100000000, -0.0000689900000000, 0.0008798300000000 ] - [ -0.0008073600000000, 0.0012830800000000, 0.0010873900000000 ] - [ -0.0008073600000000, 0.0012830800000000, -0.0010873900000000 ] - [ -0.0005463200000000, -0.0002296500000000, -0.0003761500000000 ] - [ -0.0005463200000000, -0.0002296500000000, 0.0003761500000000 ] - [ -0.0013797900000000, -0.0007077200000000, 0.0000000000000000 ] - [ -0.0005683900000000, -0.0004674300000000, 0.0000029400000000 ] - [ 0.0001042700000000, -0.0003729100000000, 0.0000000000000000 ] - [ -0.0005683900000000, -0.0004674300000000, -0.0000029400000000 ] - [ 0.0031961500000000, 0.0001247700000000, 0.0000000000000000 ] - [ 0.0004128200000000, 0.0002464000000000, 0.0008758200000000 ] - [ -0.0001380100000000, 0.0003469200000000, 0.0000000000000000 ] - [ 0.0004128200000000, 0.0002464000000000, -0.0008758200000000 ] - [ 0.0008695200000000, 0.0002621900000000, -0.0000077000000000 ] - [ 0.0008695200000000, 0.0002621900000000, 0.0000077000000000 ] - [ 0.0005752900000000, 0.0002822600000000, -0.0000040500000000 ] - [ 0.0005752900000000, 0.0002822600000000, 0.0000040500000000 ] - [ 0.0008084100000000, 0.0006626200000000, 0.0000000000000000 ] - [ 0.0004268700000000, 0.0003232000000000, -0.0001851400000000 ] - [ 0.0001049300000000, 0.0000631100000000, 0.0000000000000000 ] - [ 0.0004268700000000, 0.0003232000000000, 0.0001851400000000 ] - [ -0.0039459100000000, -0.0006960700000000, 0.0011650100000000 ] - [ -0.0039459100000000, -0.0006960700000000, -0.0011650100000000 ] - [ -0.0002175000000000, 0.0000960300000000, 0.0002999100000000 ] - [ -0.0002175000000000, 0.0000960300000000, -0.0002999100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002456000000000, -0.0002456000000000, -0.0335120800000000 ] - [ -0.0001618200000000, -0.0001618200000000, 0.0075719700000000 ] - [ -0.0001469000000000, -0.0001469000000000, 0.0008701100000000 ] - [ -0.0001313000000000, -0.0001313000000000, 0.0074415300000000 ] - [ 0.0002399900000000, -0.0001022500000000, -0.0002442000000000 ] - [ 0.0000537200000000, -0.0001905400000000, -0.0002451200000000 ] - [ 0.0000918600000000, -0.0001430800000000, 0.0002441000000000 ] - [ 0.0002009400000000, -0.0001495300000000, 0.0002458000000000 ] - [ -0.0001022500000000, 0.0002399900000000, -0.0002442000000000 ] - [ -0.0001905400000000, 0.0000537200000000, -0.0002451200000000 ] - [ -0.0001430800000000, 0.0000918600000000, 0.0002441000000000 ] - [ -0.0001495300000000, 0.0002009400000000, 0.0002458000000000 ] - [ 0.0001454300000000, 0.0001454300000000, -0.0007994000000000 ] - [ 0.0004584100000000, 0.0004584100000000, 0.0002325700000000 ] - [ 0.0001476000000000, 0.0001476000000000, 0.0003438900000000 ] - [ -0.0001628600000000, -0.0001628600000000, 0.0002329100000000 ] - [ 0.0008582400000000, 0.0040068400000000, 0.0002447600000000 ] - [ -0.0001658200000000, -0.0044256400000000, 0.0002350000000000 ] - [ 0.0002957500000000, -0.0004607200000000, 0.0007097400000000 ] - [ 0.0003984600000000, 0.0000569000000000, 0.0007112900000000 ] - [ 0.0001987300000000, 0.0003467800000000, -0.0007528600000000 ] - [ 0.0005401700000000, 0.0003516700000000, 0.0001177600000000 ] - [ 0.0002011900000000, 0.0003477300000000, 0.0005290500000000 ] - [ -0.0001385800000000, 0.0003433000000000, 0.0001196400000000 ] - [ -0.0002093300000000, -0.0003372600000000, -0.0036004600000000 ] - [ 0.0004822300000000, -0.0008367700000000, 0.0010197000000000 ] - [ -0.0001997300000000, -0.0003478800000000, 0.0008502300000000 ] - [ -0.0008807600000000, 0.0001375500000000, 0.0010238400000000 ] - [ -0.0006624600000000, 0.0003143200000000, -0.0003861300000000 ] - [ -0.0000319500000000, 0.0000868500000000, -0.0003873400000000 ] - [ -0.0002723600000000, 0.0002041100000000, 0.0003854900000000 ] - [ -0.0004214400000000, 0.0001966900000000, 0.0003870800000000 ] - [ -0.0003372600000000, -0.0002093300000000, -0.0036004600000000 ] - [ -0.0008367700000000, 0.0004822300000000, 0.0010197000000000 ] - [ -0.0003478800000000, -0.0001997300000000, 0.0008502300000000 ] - [ 0.0001375500000000, -0.0008807600000000, 0.0010238400000000 ] - [ 0.0003467800000000, 0.0001987300000000, -0.0007528600000000 ] - [ 0.0003516700000000, 0.0005401700000000, 0.0001177600000000 ] - [ 0.0003477300000000, 0.0002011900000000, 0.0005290500000000 ] - [ 0.0003433000000000, -0.0001385800000000, 0.0001196400000000 ] - [ 0.0003143200000000, -0.0006624600000000, -0.0003861300000000 ] - [ 0.0000868500000000, -0.0000319500000000, -0.0003873400000000 ] - [ 0.0002041100000000, -0.0002723600000000, 0.0003854900000000 ] - [ 0.0001966900000000, -0.0004214400000000, 0.0003870800000000 ] - [ 0.0040068400000000, 0.0008582400000000, 0.0002447600000000 ] - [ -0.0044256400000000, -0.0001658200000000, 0.0002350000000000 ] - [ -0.0004607200000000, 0.0002957500000000, 0.0007097400000000 ] - [ 0.0000569000000000, 0.0003984600000000, 0.0007112900000000 ] - [ 0.0006500400000000, 0.0006500400000000, -0.0029263500000000 ] - [ 0.0001501100000000, 0.0001501100000000, 0.0009037200000000 ] - [ 0.0006434700000000, 0.0006434700000000, 0.0008100900000000 ] - [ 0.0011361400000000, 0.0011361400000000, 0.0009092800000000 ] - [ -0.0003853800000000, -0.0048270900000000, 0.0004465800000000 ] - [ -0.0008968500000000, 0.0061481200000000, 0.0004370300000000 ] - [ -0.0007349200000000, 0.0009923200000000, 0.0007876300000000 ] - [ -0.0005542000000000, 0.0003002600000000, 0.0007886800000000 ] - [ -0.0048270900000000, -0.0003853800000000, 0.0004465800000000 ] - [ 0.0061481200000000, -0.0008968500000000, 0.0004370300000000 ] - [ 0.0009923200000000, -0.0007349200000000, 0.0007876300000000 ] - [ 0.0003002600000000, -0.0005542000000000, 0.0007886800000000 ] - [ -0.0006441200000000, -0.0006441200000000, -0.0003379000000000 ] - [ -0.0007590700000000, -0.0007590700000000, -0.0000273800000000 ] - [ -0.0006441900000000, -0.0006441900000000, 0.0003930100000000 ] - [ -0.0005282700000000, -0.0005282700000000, -0.0000261700000000 ] - [ -0.0000948800000000, 0.0000089000000000, 0.0017254200000000 ] - [ -0.0000331300000000, 0.0004727300000000, -0.0005389500000000 ] - [ -0.0000914400000000, 0.0000099600000000, -0.0006938500000000 ] - [ -0.0001591000000000, -0.0004534400000000, -0.0005404900000000 ] - [ 0.0001247000000000, 0.0003087500000000, 0.0004727700000000 ] - [ -0.0001463700000000, -0.0005030800000000, 0.0004743400000000 ] - [ -0.0001106000000000, -0.0001762300000000, -0.0004650100000000 ] - [ 0.0000886500000000, -0.0000187800000000, -0.0004661200000000 ] - [ 0.0007326800000000, -0.0008084400000000, 0.0018424500000000 ] - [ -0.0006679200000000, 0.0009433600000000, 0.0019036700000000 ] - [ -0.0002628400000000, 0.0004088000000000, -0.0009505700000000 ] - [ 0.0002818400000000, -0.0002113200000000, -0.0009506900000000 ] - [ 0.0000965400000000, -0.0000105600000000, 0.0009043500000000 ] - [ -0.0002231800000000, 0.0004162600000000, -0.0001879800000000 ] - [ 0.0000943500000000, -0.0000090800000000, -0.0005007400000000 ] - [ 0.0004119200000000, -0.0004372300000000, -0.0001907400000000 ] - [ -0.0008084400000000, 0.0007326800000000, 0.0018424500000000 ] - [ 0.0009433600000000, -0.0006679200000000, 0.0019036700000000 ] - [ 0.0004088000000000, -0.0002628400000000, -0.0009505700000000 ] - [ -0.0002113200000000, 0.0002818400000000, -0.0009506900000000 ] - [ 0.0003087500000000, 0.0001247000000000, 0.0004727700000000 ] - [ -0.0005030800000000, -0.0001463700000000, 0.0004743400000000 ] - [ -0.0001762300000000, -0.0001106000000000, -0.0004650100000000 ] - [ -0.0000187800000000, 0.0000886500000000, -0.0004661200000000 ] - [ -0.0000105600000000, 0.0000965400000000, 0.0009043500000000 ] - [ 0.0004162600000000, -0.0002231800000000, -0.0001879800000000 ] - [ -0.0000090800000000, 0.0000943500000000, -0.0005007400000000 ] - [ -0.0004372300000000, 0.0004119200000000, -0.0001907400000000 ] - [ 0.0000089000000000, -0.0000948800000000, 0.0017254200000000 ] - [ 0.0004727300000000, -0.0000331300000000, -0.0005389500000000 ] - [ 0.0000099600000000, -0.0000914400000000, -0.0006938500000000 ] - [ -0.0004534400000000, -0.0001591000000000, -0.0005404900000000 ] - [ -0.0017081200000000, -0.0017081200000000, 0.0010541700000000 ] - [ 0.0010378200000000, 0.0010378200000000, 0.0010932200000000 ] - [ -0.0000613800000000, -0.0000613800000000, -0.0008572100000000 ] - [ -0.0005783700000000, -0.0005783700000000, -0.0008585600000000 ] - [ 0.0003232900000000, -0.0003192100000000, 0.0020916700000000 ] - [ 0.0003619000000000, -0.0008993500000000, -0.0005225700000000 ] - [ 0.0003250500000000, -0.0003254400000000, -0.0007370300000000 ] - [ 0.0002836900000000, 0.0002548000000000, -0.0005261500000000 ] - [ -0.0003192100000000, 0.0003232900000000, 0.0020916700000000 ] - [ -0.0008993500000000, 0.0003619000000000, -0.0005225700000000 ] - [ -0.0003254400000000, 0.0003250500000000, -0.0007370300000000 ] - [ 0.0002548000000000, 0.0002836900000000, -0.0005261500000000 ] - [ 0.0003840700000000, 0.0003840700000000, 0.0003747600000000 ] - [ 0.0002622500000000, 0.0002622500000000, 0.0003757200000000 ] - [ 0.0003030500000000, 0.0003030500000000, -0.0003684600000000 ] - [ 0.0003407400000000, 0.0003407400000000, -0.0003701800000000 ] - [ -0.0000000200000000, -0.0000000200000000, 0.0005600800000000 ] - [ 0.0003164500000000, 0.0003164500000000, -0.0001060200000000 ] - [ 0.0000009000000000, 0.0000009000000000, -0.0003430700000000 ] - [ -0.0003180700000000, -0.0003180700000000, -0.0001077500000000 ] - [ -0.0012141500000000, -0.0012141500000000, 0.0037856800000000 ] - [ 0.0013259500000000, 0.0013259500000000, 0.0038900500000000 ] - [ -0.0003721200000000, -0.0003721200000000, -0.0009136400000000 ] - [ 0.0003672600000000, 0.0003672600000000, -0.0009107400000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0033281400000000, 0.0002982400000000, 0.0005088000000000 ] - [ -0.0005770500000000, -0.0001530400000000, 0.0000514500000000 ] - [ -0.0005770500000000, -0.0001530400000000, -0.0000514500000000 ] - [ -0.0033281400000000, 0.0002982400000000, -0.0005088000000000 ] - [ 0.0025413400000000, 0.0046457700000000, 0.0000000000000000 ] - [ 0.0001771400000000, 0.0002757600000000, -0.0004866800000000 ] - [ 0.0001399500000000, -0.0000391800000000, 0.0000000000000000 ] - [ 0.0001771400000000, 0.0002757600000000, 0.0004866800000000 ] - [ 0.0025438000000000, 0.0000913500000000, 0.0000000000000000 ] - [ 0.0008716900000000, 0.0001121800000000, -0.0000024400000000 ] - [ 0.0001643400000000, 0.0001403100000000, 0.0000000000000000 ] - [ 0.0008716900000000, 0.0001121800000000, 0.0000024400000000 ] - [ 0.0003652000000000, 0.0002498700000000, 0.0003159500000000 ] - [ 0.0001754400000000, 0.0002003800000000, 0.0000739400000000 ] - [ 0.0001754400000000, 0.0002003800000000, -0.0000739400000000 ] - [ 0.0003652000000000, 0.0002498700000000, -0.0003159500000000 ] - [ -0.1150250500000000, -0.0315188200000000, 0.0000000000000000 ] - [ -0.0024344400000000, -0.0013195800000000, -0.0006093200000000 ] - [ -0.0003783000000000, -0.0004662400000000, 0.0000000000000000 ] - [ -0.0024344400000000, -0.0013195800000000, 0.0006093200000000 ] - [ -0.0022516600000000, -0.0000508500000000, 0.0021753100000000 ] - [ -0.0001162700000000, 0.0005520800000000, -0.0000619700000000 ] - [ -0.0001162700000000, 0.0005520800000000, 0.0000619700000000 ] - [ -0.0022516600000000, -0.0000508500000000, -0.0021753100000000 ] - [ 0.0086714800000000, 0.0000904400000000, 0.0114115000000000 ] - [ 0.0003223200000000, -0.0005497900000000, 0.0008465600000000 ] - [ 0.0003223200000000, -0.0005497900000000, -0.0008465600000000 ] - [ 0.0086714800000000, 0.0000904400000000, -0.0114115000000000 ] - [ 0.0019704700000000, -0.0025621800000000, 0.0000000000000000 ] - [ -0.0005273300000000, -0.0009287300000000, 0.0012799800000000 ] - [ -0.0004102600000000, -0.0001557800000000, 0.0000000000000000 ] - [ -0.0005273300000000, -0.0009287300000000, -0.0012799800000000 ] - [ -0.0005035200000000, -0.0007123400000000, -0.0006230300000000 ] - [ -0.0003388900000000, -0.0003899000000000, -0.0001566700000000 ] - [ -0.0003388900000000, -0.0003899000000000, 0.0001566700000000 ] - [ -0.0005035200000000, -0.0007123400000000, 0.0006230300000000 ] - [ 0.0031243200000000, 0.0002812400000000, 0.0001024100000000 ] - [ 0.0009963200000000, 0.0001469700000000, 0.0000299400000000 ] - [ 0.0009963200000000, 0.0001469700000000, -0.0000299400000000 ] - [ 0.0031243200000000, 0.0002812400000000, -0.0001024100000000 ] - [ 0.0009907100000000, -0.0003021200000000, 0.0000000000000000 ] - [ 0.0006114100000000, -0.0003159400000000, -0.0002082400000000 ] - [ 0.0003578000000000, -0.0003273500000000, 0.0000000000000000 ] - [ 0.0006114100000000, -0.0003159400000000, 0.0002082400000000 ] - [ 0.0047040900000000, -0.0068080400000000, 0.0000000000000000 ] - [ -0.0002223600000000, -0.0005974500000000, -0.0011286000000000 ] - [ -0.0002609300000000, 0.0000943400000000, 0.0000000000000000 ] - [ -0.0002223600000000, -0.0005974500000000, 0.0011286000000000 ] - [ 0.0106792100000000, 0.0018820600000000, -0.0127960900000000 ] - [ 0.0009939300000000, 0.0010747300000000, -0.0008233000000000 ] - [ 0.0009939300000000, 0.0010747300000000, 0.0008233000000000 ] - [ 0.0106792100000000, 0.0018820600000000, 0.0127960900000000 ] - [ -0.0028671300000000, 0.0007174000000000, 0.0000000000000000 ] - [ -0.0012180500000000, 0.0008635700000000, 0.0000054400000000 ] - [ -0.0008763700000000, 0.0007325400000000, 0.0000000000000000 ] - [ -0.0012180500000000, 0.0008635700000000, -0.0000054400000000 ] - [ 0.0049495600000000, 0.0058156700000000, 0.0000000000000000 ] - [ 0.0005655800000000, 0.0003191200000000, 0.0013247900000000 ] - [ 0.0005771700000000, -0.0003594600000000, 0.0000000000000000 ] - [ 0.0005655800000000, 0.0003191200000000, -0.0013247900000000 ] - [ 0.0017632100000000, -0.0001007300000000, 0.0001367900000000 ] - [ -0.0001443000000000, -0.0004788600000000, 0.0000030500000000 ] - [ -0.0001443000000000, -0.0004788600000000, -0.0000030500000000 ] - [ 0.0017632100000000, -0.0001007300000000, -0.0001367900000000 ] - [ 0.0076140500000000, 0.0067153200000000, -0.0126334700000000 ] - [ 0.0004372500000000, -0.0000518700000000, 0.0005056200000000 ] - [ 0.0004372500000000, -0.0000518700000000, -0.0005056200000000 ] - [ 0.0076140500000000, 0.0067153200000000, 0.0126334700000000 ] - [ 0.0013278900000000, 0.0010732900000000, 0.0000000000000000 ] - [ 0.0010209000000000, -0.0003515700000000, 0.0000439100000000 ] - [ 0.0002475400000000, -0.0000899400000000, 0.0000000000000000 ] - [ 0.0010209000000000, -0.0003515700000000, -0.0000439100000000 ] - [ 0.0478642600000000, 0.0307850000000000, 0.0000000000000000 ] - [ 0.0011238700000000, 0.0005139300000000, -0.0031128700000000 ] - [ 0.0004015200000000, 0.0002074100000000, 0.0000000000000000 ] - [ 0.0011238700000000, 0.0005139300000000, 0.0031128700000000 ] - [ -0.0027518600000000, 0.0026655500000000, -0.0018783100000000 ] - [ -0.0002115100000000, 0.0003345700000000, -0.0004207000000000 ] - [ -0.0002115100000000, 0.0003345700000000, 0.0004207000000000 ] - [ -0.0027518600000000, 0.0026655500000000, 0.0018783100000000 ] - [ 0.0008882500000000, 0.0027783400000000, 0.0000000000000000 ] - [ 0.0005335100000000, 0.0004500800000000, 0.0002644300000000 ] - [ 0.0002373800000000, 0.0001673100000000, 0.0000000000000000 ] - [ 0.0005335100000000, 0.0004500800000000, -0.0002644300000000 ] - [ -0.0016205500000000, -0.0004114800000000, 0.0000000000000000 ] - [ -0.0009913000000000, -0.0002367700000000, -0.0001267300000000 ] - [ -0.0003892800000000, -0.0000733500000000, 0.0000000000000000 ] - [ -0.0009913000000000, -0.0002367700000000, 0.0001267300000000 ] - [ -0.0006290000000000, -0.0001368100000000, 0.0001751800000000 ] - [ -0.0002560800000000, 0.0000633400000000, 0.0000213600000000 ] - [ -0.0002560800000000, 0.0000633400000000, -0.0000213600000000 ] - [ -0.0006290000000000, -0.0001368100000000, -0.0001751800000000 ] - [ -0.0034214100000000, 0.0019218300000000, 0.0022548400000000 ] - [ -0.0005208800000000, 0.0001531700000000, 0.0004167600000000 ] - [ -0.0005208800000000, 0.0001531700000000, -0.0004167600000000 ] - [ -0.0034214100000000, 0.0019218300000000, -0.0022548400000000 ] - [ 0.0248481600000000, -0.0165380500000000, 0.0000000000000000 ] - [ 0.0002208900000000, -0.0001088000000000, 0.0028802100000000 ] - [ -0.0001096700000000, -0.0002580700000000, 0.0000000000000000 ] - [ 0.0002208900000000, -0.0001088000000000, -0.0028802100000000 ] - [ 0.0014182500000000, -0.0006041900000000, -0.0000948300000000 ] - [ 0.0005947200000000, -0.0003576600000000, 0.0000076500000000 ] - [ 0.0005947200000000, -0.0003576600000000, -0.0000076500000000 ] - [ 0.0014182500000000, -0.0006041900000000, 0.0000948300000000 ] - [ -0.0039086800000000, -0.0021495000000000, -0.0025635000000000 ] - [ -0.0007798100000000, 0.0000624400000000, -0.0004744800000000 ] - [ -0.0007798100000000, 0.0000624400000000, 0.0004744800000000 ] - [ -0.0039086800000000, -0.0021495000000000, 0.0025635000000000 ] - [ -0.0013026500000000, 0.0007199100000000, 0.0000000000000000 ] - [ -0.0005853500000000, 0.0005444100000000, -0.0001261300000000 ] - [ 0.0000351200000000, 0.0003810300000000, 0.0000000000000000 ] - [ -0.0005853500000000, 0.0005444100000000, 0.0001261300000000 ] - [ -0.0032095300000000, -0.0022272200000000, 0.0012050700000000 ] - [ -0.0004391300000000, -0.0002640700000000, 0.0002545700000000 ] - [ -0.0004391300000000, -0.0002640700000000, -0.0002545700000000 ] - [ -0.0032095300000000, -0.0022272200000000, -0.0012050700000000 ] - [ 0.0014162200000000, -0.0026643100000000, 0.0000000000000000 ] - [ 0.0005106300000000, -0.0004939400000000, -0.0003068100000000 ] - [ 0.0001850600000000, -0.0001586400000000, 0.0000000000000000 ] - [ 0.0005106300000000, -0.0004939400000000, 0.0003068100000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0030390500000000, -0.0005967400000000, -0.0005150700000000 ] - [ 0.0002905700000000, -0.0001308500000000, -0.0000516900000000 ] - [ 0.0002905700000000, -0.0001308500000000, 0.0000516900000000 ] - [ 0.0030390500000000, -0.0005967400000000, 0.0005150700000000 ] - [ -0.0022712100000000, -0.0049923100000000, 0.0000000000000000 ] - [ 0.0001142200000000, -0.0005622800000000, 0.0004870000000000 ] - [ 0.0001455600000000, -0.0002456200000000, 0.0000000000000000 ] - [ 0.0001142200000000, -0.0005622800000000, -0.0004870000000000 ] - [ -0.0028333200000000, 0.0002009100000000, 0.0000000000000000 ] - [ -0.0011598000000000, 0.0001770600000000, 0.0000048100000000 ] - [ -0.0004513400000000, 0.0001470700000000, 0.0000000000000000 ] - [ -0.0011598000000000, 0.0001770600000000, -0.0000048100000000 ] - [ -0.0000814100000000, 0.0000362800000000, -0.0003150400000000 ] - [ 0.0001087900000000, 0.0000864600000000, -0.0000745700000000 ] - [ 0.0001087900000000, 0.0000864600000000, 0.0000745700000000 ] - [ -0.0000814100000000, 0.0000362800000000, 0.0003150400000000 ] - [ 0.1146348700000000, 0.0274392300000000, 0.0000000000000000 ] - [ 0.0031239900000000, 0.0009045400000000, 0.0005731700000000 ] - [ 0.0010686900000000, 0.0000651700000000, 0.0000000000000000 ] - [ 0.0031239900000000, 0.0009045400000000, -0.0005731700000000 ] - [ 0.0026167800000000, 0.0007839900000000, -0.0021828700000000 ] - [ 0.0005125300000000, 0.0001418300000000, 0.0000583600000000 ] - [ 0.0005125300000000, 0.0001418300000000, -0.0000583600000000 ] - [ 0.0026167800000000, 0.0007839900000000, 0.0021828700000000 ] - [ -0.0089988600000000, -0.0007451900000000, -0.0113296300000000 ] - [ -0.0007215100000000, -0.0001403200000000, -0.0008451500000000 ] - [ -0.0007215100000000, -0.0001403200000000, 0.0008451500000000 ] - [ -0.0089988600000000, -0.0007451900000000, 0.0113296300000000 ] - [ -0.0026566300000000, 0.0029434700000000, 0.0000000000000000 ] - [ -0.0001710100000000, 0.0013214100000000, -0.0012732400000000 ] - [ -0.0002835300000000, 0.0005540800000000, 0.0000000000000000 ] - [ -0.0001710100000000, 0.0013214100000000, 0.0012732400000000 ] - [ -0.0001835900000000, 0.0003161300000000, 0.0006240700000000 ] - [ -0.0003513900000000, -0.0000075500000000, 0.0001564500000000 ] - [ -0.0003513900000000, -0.0000075500000000, -0.0001564500000000 ] - [ -0.0001835900000000, 0.0003161300000000, -0.0006240700000000 ] - [ -0.0024361300000000, 0.0001168900000000, -0.0001010200000000 ] - [ -0.0003069200000000, 0.0002523900000000, -0.0000302500000000 ] - [ -0.0003069200000000, 0.0002523900000000, 0.0000302500000000 ] - [ -0.0024361300000000, 0.0001168900000000, 0.0001010200000000 ] - [ -0.0005918600000000, -0.0003918100000000, 0.0000000000000000 ] - [ -0.0002134600000000, -0.0003767600000000, 0.0002089700000000 ] - [ 0.0000395800000000, -0.0003636200000000, 0.0000000000000000 ] - [ -0.0002134600000000, -0.0003767600000000, -0.0002089700000000 ] - [ -0.0051119200000000, 0.0074996400000000, 0.0000000000000000 ] - [ -0.0001774900000000, 0.0012937900000000, 0.0011299300000000 ] - [ -0.0001376500000000, 0.0005988200000000, 0.0000000000000000 ] - [ -0.0001774900000000, 0.0012937900000000, -0.0011299300000000 ] - [ -0.0094978900000000, -0.0005825800000000, 0.0129288000000000 ] - [ 0.0002901300000000, 0.0002067000000000, 0.0008266300000000 ] - [ 0.0002901300000000, 0.0002067000000000, -0.0008266300000000 ] - [ -0.0094978900000000, -0.0005825800000000, -0.0129288000000000 ] - [ 0.0015810600000000, 0.0005664900000000, 0.0000000000000000 ] - [ -0.0000672300000000, 0.0004221600000000, -0.0000093400000000 ] - [ -0.0004074500000000, 0.0005513200000000, 0.0000000000000000 ] - [ -0.0000672300000000, 0.0004221600000000, 0.0000093400000000 ] - [ -0.0036676500000000, -0.0071067700000000, 0.0000000000000000 ] - [ 0.0007169100000000, -0.0016001000000000, -0.0013243300000000 ] - [ 0.0007065500000000, -0.0009211400000000, 0.0000000000000000 ] - [ 0.0007169100000000, -0.0016001000000000, 0.0013243300000000 ] - [ -0.0030496400000000, -0.0011905900000000, -0.0001353600000000 ] - [ -0.0011398200000000, -0.0008027300000000, -0.0000011500000000 ] - [ -0.0011398200000000, -0.0008027300000000, 0.0000011500000000 ] - [ -0.0030496400000000, -0.0011905900000000, 0.0001353600000000 ] - [ -0.0076066500000000, -0.0066701000000000, 0.0124847200000000 ] - [ -0.0006184700000000, 0.0000703000000000, -0.0005003900000000 ] - [ -0.0006184700000000, 0.0000703000000000, 0.0005003900000000 ] - [ -0.0076066500000000, -0.0066701000000000, -0.0124847200000000 ] - [ -0.0013237800000000, -0.0012450500000000, 0.0000000000000000 ] - [ -0.0010279000000000, 0.0001747700000000, -0.0000388600000000 ] - [ -0.0002673900000000, -0.0000846900000000, 0.0000000000000000 ] - [ -0.0010279000000000, 0.0001747700000000, 0.0000388600000000 ] - [ -0.0453329000000000, -0.0285095200000000, 0.0000000000000000 ] - [ -0.0010974800000000, -0.0003363100000000, 0.0031042100000000 ] - [ -0.0003820900000000, -0.0000321300000000, 0.0000000000000000 ] - [ -0.0010974800000000, -0.0003363100000000, -0.0031042100000000 ] - [ 0.0029254500000000, -0.0026772100000000, 0.0018691700000000 ] - [ 0.0003921700000000, -0.0003526200000000, 0.0004141200000000 ] - [ 0.0003921700000000, -0.0003526200000000, -0.0004141200000000 ] - [ 0.0029254500000000, -0.0026772100000000, -0.0018691700000000 ] - [ -0.0007163400000000, -0.0027659400000000, 0.0000000000000000 ] - [ -0.0003567000000000, -0.0004319900000000, -0.0002640900000000 ] - [ -0.0000619700000000, -0.0001461300000000, 0.0000000000000000 ] - [ -0.0003567000000000, -0.0004319900000000, 0.0002640900000000 ] - [ 0.0014446000000000, 0.0003949500000000, 0.0000000000000000 ] - [ 0.0008143100000000, 0.0002216400000000, 0.0001272600000000 ] - [ 0.0002071500000000, 0.0000552300000000, 0.0000000000000000 ] - [ 0.0008143100000000, 0.0002216400000000, -0.0001272600000000 ] - [ 0.0006074800000000, 0.0003143000000000, -0.0001764100000000 ] - [ 0.0002359300000000, 0.0001120600000000, -0.0000226700000000 ] - [ 0.0002359300000000, 0.0001120600000000, 0.0000226700000000 ] - [ 0.0006074800000000, 0.0003143000000000, 0.0001764100000000 ] - [ 0.0034356600000000, -0.0020965300000000, -0.0022503900000000 ] - [ 0.0005356200000000, -0.0003281400000000, -0.0004184200000000 ] - [ 0.0005356200000000, -0.0003281400000000, 0.0004184200000000 ] - [ 0.0034356600000000, -0.0020965300000000, 0.0022503900000000 ] - [ -0.0271120200000000, 0.0172857800000000, 0.0000000000000000 ] - [ -0.0008714900000000, -0.0005301800000000, -0.0028953900000000 ] - [ -0.0005372300000000, -0.0003854000000000, 0.0000000000000000 ] - [ -0.0008714900000000, -0.0005301800000000, 0.0028953900000000 ] - [ -0.0007779500000000, -0.0000479400000000, 0.0000946500000000 ] - [ 0.0000465400000000, -0.0002850100000000, -0.0000068700000000 ] - [ 0.0000465400000000, -0.0002850100000000, 0.0000068700000000 ] - [ -0.0007779500000000, -0.0000479400000000, -0.0000946500000000 ] - [ 0.0032754000000000, 0.0027905100000000, 0.0025802300000000 ] - [ 0.0001380000000000, 0.0005849000000000, 0.0004751100000000 ] - [ 0.0001380000000000, 0.0005849000000000, -0.0004751100000000 ] - [ 0.0032754000000000, 0.0027905100000000, -0.0025802300000000 ] - [ 0.0019385500000000, -0.0000684700000000, 0.0000000000000000 ] - [ 0.0012245500000000, 0.0001021400000000, 0.0001236900000000 ] - [ 0.0006109100000000, 0.0002656500000000, 0.0000000000000000 ] - [ 0.0012245500000000, 0.0001021400000000, -0.0001236900000000 ] - [ 0.0032241000000000, 0.0022424000000000, -0.0012152200000000 ] - [ 0.0004353200000000, 0.0002641500000000, -0.0002563200000000 ] - [ 0.0004353200000000, 0.0002641500000000, 0.0002563200000000 ] - [ 0.0032241000000000, 0.0022424000000000, 0.0012152200000000 ] - [ -0.0014182500000000, 0.0026660600000000, 0.0000000000000000 ] - [ -0.0005063300000000, 0.0004898500000000, 0.0003072900000000 ] - [ -0.0001817600000000, 0.0001548700000000, 0.0000000000000000 ] - [ -0.0005063300000000, 0.0004898500000000, -0.0003072900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002438100000000, 0.0051968700000000, 0.0042466900000000 ] - [ -0.0001877300000000, -0.0002137000000000, 0.0002597300000000 ] - [ -0.0001877300000000, -0.0002137000000000, -0.0002597300000000 ] - [ 0.0002438100000000, 0.0051968700000000, -0.0042466900000000 ] - [ 0.0050756000000000, 0.0030649600000000, 0.0000000000000000 ] - [ 0.0011188400000000, 0.0003331100000000, -0.0006798800000000 ] - [ 0.0003853100000000, -0.0000380900000000, 0.0000000000000000 ] - [ 0.0011188400000000, 0.0003331100000000, 0.0006798800000000 ] - [ -0.0003378200000000, -0.0004430900000000, 0.0000000000000000 ] - [ -0.0000657800000000, -0.0001352900000000, 0.0003389600000000 ] - [ -0.0001132700000000, 0.0000359000000000, 0.0000000000000000 ] - [ -0.0000657800000000, -0.0001352900000000, -0.0003389600000000 ] - [ -0.0002189800000000, 0.0008706300000000, -0.0001125900000000 ] - [ -0.0000018200000000, 0.0003789000000000, 0.0000041200000000 ] - [ -0.0000018200000000, 0.0003789000000000, -0.0000041200000000 ] - [ -0.0002189800000000, 0.0008706300000000, 0.0001125900000000 ] - [ -0.0293011700000000, -0.0893020200000000, 0.0000000000000000 ] - [ -0.0007635900000000, -0.0055178500000000, -0.0039491200000000 ] - [ 0.0000824000000000, -0.0012362800000000, 0.0000000000000000 ] - [ -0.0007635900000000, -0.0055178500000000, 0.0039491200000000 ] - [ -0.0031539800000000, 0.0091573300000000, -0.0051677600000000 ] - [ 0.0001989800000000, 0.0008714400000000, -0.0007409900000000 ] - [ 0.0001989800000000, 0.0008714400000000, 0.0007409900000000 ] - [ -0.0031539800000000, 0.0091573300000000, 0.0051677600000000 ] - [ 0.0031560600000000, -0.0027866800000000, 0.0063211100000000 ] - [ -0.0002005700000000, -0.0006616200000000, 0.0003006100000000 ] - [ -0.0002005700000000, -0.0006616200000000, -0.0003006100000000 ] - [ 0.0031560600000000, -0.0027866800000000, -0.0063211100000000 ] - [ -0.0030910200000000, -0.0021409300000000, 0.0000000000000000 ] - [ -0.0014719300000000, -0.0004820700000000, 0.0001942800000000 ] - [ -0.0007019800000000, 0.0000170700000000, 0.0000000000000000 ] - [ -0.0014719300000000, -0.0004820700000000, -0.0001942800000000 ] - [ 0.0001642700000000, 0.0011403800000000, 0.0005119500000000 ] - [ -0.0001567500000000, 0.0001502700000000, 0.0001624900000000 ] - [ -0.0001567500000000, 0.0001502700000000, -0.0001624900000000 ] - [ 0.0001642700000000, 0.0011403800000000, -0.0005119500000000 ] - [ 0.0002644800000000, 0.0011737500000000, 0.0001512900000000 ] - [ 0.0004006800000000, 0.0001578800000000, 0.0003255700000000 ] - [ 0.0004006800000000, 0.0001578800000000, -0.0003255700000000 ] - [ 0.0002644800000000, 0.0011737500000000, -0.0001512900000000 ] - [ 0.0004737700000000, 0.0004426200000000, 0.0000000000000000 ] - [ 0.0004726700000000, 0.0000647000000000, 0.0000194700000000 ] - [ 0.0002848200000000, -0.0001887700000000, 0.0000000000000000 ] - [ 0.0004726700000000, 0.0000647000000000, -0.0000194700000000 ] - [ -0.0032448000000000, 0.0052514000000000, 0.0000000000000000 ] - [ 0.0003908900000000, 0.0003239900000000, 0.0011677300000000 ] - [ 0.0000848500000000, 0.0002857100000000, 0.0000000000000000 ] - [ 0.0003908900000000, 0.0003239900000000, -0.0011677300000000 ] - [ 0.0007833400000000, -0.0059344600000000, 0.0065568100000000 ] - [ 0.0010303700000000, 0.0001481400000000, 0.0001262000000000 ] - [ 0.0010303700000000, 0.0001481400000000, -0.0001262000000000 ] - [ 0.0007833400000000, -0.0059344600000000, -0.0065568100000000 ] - [ -0.0006324000000000, 0.0035498200000000, 0.0000000000000000 ] - [ -0.0008608700000000, 0.0018962000000000, -0.0004073400000000 ] - [ -0.0007371100000000, 0.0010442600000000, 0.0000000000000000 ] - [ -0.0008608700000000, 0.0018962000000000, 0.0004073400000000 ] - [ 0.0022564900000000, 0.0026394500000000, 0.0000000000000000 ] - [ 0.0002697100000000, -0.0004246500000000, 0.0010518300000000 ] - [ 0.0004378400000000, -0.0005788600000000, 0.0000000000000000 ] - [ 0.0002697100000000, -0.0004246500000000, -0.0010518300000000 ] - [ -0.0005133800000000, -0.0008527700000000, -0.0001679500000000 ] - [ -0.0005634100000000, -0.0005701600000000, 0.0000682200000000 ] - [ -0.0005634100000000, -0.0005701600000000, -0.0000682200000000 ] - [ -0.0005133800000000, -0.0008527700000000, 0.0001679500000000 ] - [ 0.0040026100000000, 0.0189459800000000, -0.0200055500000000 ] - [ -0.0001392300000000, 0.0005177100000000, 0.0017802200000000 ] - [ -0.0001392300000000, 0.0005177100000000, -0.0017802200000000 ] - [ 0.0040026100000000, 0.0189459800000000, 0.0200055500000000 ] - [ 0.0029007900000000, -0.0028659200000000, 0.0000000000000000 ] - [ 0.0012354100000000, -0.0009643500000000, 0.0014278100000000 ] - [ 0.0002902300000000, -0.0002724600000000, 0.0000000000000000 ] - [ 0.0012354100000000, -0.0009643500000000, -0.0014278100000000 ] - [ 0.0301355500000000, 0.0267083200000000, 0.0000000000000000 ] - [ 0.0012338800000000, 0.0019392100000000, -0.0014101100000000 ] - [ 0.0004113500000000, 0.0004833400000000, 0.0000000000000000 ] - [ 0.0012338800000000, 0.0019392100000000, 0.0014101100000000 ] - [ -0.0003457100000000, 0.0023823400000000, -0.0007882600000000 ] - [ 0.0002528700000000, 0.0003373200000000, -0.0000769600000000 ] - [ 0.0002528700000000, 0.0003373200000000, 0.0000769600000000 ] - [ -0.0003457100000000, 0.0023823400000000, 0.0007882600000000 ] - [ 0.0000957400000000, -0.0026995600000000, 0.0000000000000000 ] - [ -0.0000194700000000, -0.0007227300000000, -0.0003796200000000 ] - [ -0.0000285800000000, -0.0001750900000000, 0.0000000000000000 ] - [ -0.0000194700000000, -0.0007227300000000, 0.0003796200000000 ] - [ -0.0002035300000000, -0.0009866100000000, 0.0000000000000000 ] - [ -0.0001241500000000, -0.0007203100000000, -0.0005885600000000 ] - [ -0.0001142700000000, -0.0001657100000000, 0.0000000000000000 ] - [ -0.0001241500000000, -0.0007203100000000, 0.0005885600000000 ] - [ -0.0004192900000000, -0.0005526700000000, 0.0000238400000000 ] - [ -0.0002429800000000, -0.0001823800000000, -0.0000342200000000 ] - [ -0.0002429800000000, -0.0001823800000000, 0.0000342200000000 ] - [ -0.0004192900000000, -0.0005526700000000, -0.0000238400000000 ] - [ 0.0012496500000000, -0.0011555100000000, -0.0020156900000000 ] - [ -0.0002609300000000, 0.0000389400000000, -0.0003121700000000 ] - [ -0.0002609300000000, 0.0000389400000000, 0.0003121700000000 ] - [ 0.0012496500000000, -0.0011555100000000, 0.0020156900000000 ] - [ -0.0113358500000000, 0.0135917500000000, 0.0000000000000000 ] - [ -0.0016264100000000, 0.0021444800000000, -0.0009821600000000 ] - [ -0.0007051900000000, 0.0001856600000000, 0.0000000000000000 ] - [ -0.0016264100000000, 0.0021444800000000, 0.0009821600000000 ] - [ -0.0002762700000000, -0.0028876400000000, 0.0002769100000000 ] - [ 0.0001447700000000, -0.0009111200000000, 0.0001468600000000 ] - [ 0.0001447700000000, -0.0009111200000000, -0.0001468600000000 ] - [ -0.0002762700000000, -0.0028876400000000, -0.0002769100000000 ] - [ -0.0015490800000000, -0.0010668600000000, -0.0017034600000000 ] - [ -0.0001886200000000, 0.0004213800000000, -0.0003346800000000 ] - [ -0.0001886200000000, 0.0004213800000000, 0.0003346800000000 ] - [ -0.0015490800000000, -0.0010668600000000, 0.0017034600000000 ] - [ 0.0008954100000000, 0.0003021100000000, 0.0000000000000000 ] - [ 0.0005097900000000, 0.0004071500000000, -0.0002310900000000 ] - [ 0.0003938300000000, 0.0002604100000000, 0.0000000000000000 ] - [ 0.0005097900000000, 0.0004071500000000, 0.0002310900000000 ] - [ -0.0005422500000000, 0.0016432400000000, -0.0005380800000000 ] - [ -0.0003014600000000, 0.0001976500000000, -0.0000135200000000 ] - [ -0.0003014600000000, 0.0001976500000000, 0.0000135200000000 ] - [ -0.0005422500000000, 0.0016432400000000, 0.0005380800000000 ] - [ 0.0002339300000000, -0.0027474400000000, 0.0000000000000000 ] - [ 0.0000542700000000, -0.0009857900000000, -0.0004911300000000 ] - [ 0.0001436300000000, -0.0002427100000000, 0.0000000000000000 ] - [ 0.0000542700000000, -0.0009857900000000, 0.0004911300000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005183900000000, -0.0054074300000000, -0.0041862600000000 ] - [ -0.0000939500000000, -0.0000688400000000, -0.0002590300000000 ] - [ -0.0000939500000000, -0.0000688400000000, 0.0002590300000000 ] - [ -0.0005183900000000, -0.0054074300000000, 0.0041862600000000 ] - [ -0.0048524000000000, -0.0033780700000000, 0.0000000000000000 ] - [ -0.0008383400000000, -0.0006127700000000, 0.0006830200000000 ] - [ -0.0001040900000000, -0.0002424500000000, 0.0000000000000000 ] - [ -0.0008383400000000, -0.0006127700000000, -0.0006830200000000 ] - [ 0.0000528500000000, 0.0007277700000000, 0.0000000000000000 ] - [ -0.0002172600000000, 0.0004191500000000, -0.0003393300000000 ] - [ -0.0001690600000000, 0.0002479900000000, 0.0000000000000000 ] - [ -0.0002172600000000, 0.0004191500000000, 0.0003393300000000 ] - [ 0.0005042700000000, -0.0005906500000000, 0.0001161700000000 ] - [ 0.0002851600000000, -0.0000958700000000, -0.0000038500000000 ] - [ 0.0002851600000000, -0.0000958700000000, 0.0000038500000000 ] - [ 0.0005042700000000, -0.0005906500000000, -0.0001161700000000 ] - [ 0.0296788900000000, 0.0884736200000000, 0.0000000000000000 ] - [ 0.0014580100000000, 0.0051192700000000, 0.0039246000000000 ] - [ 0.0006099300000000, 0.0008426800000000, 0.0000000000000000 ] - [ 0.0014580100000000, 0.0051192700000000, -0.0039246000000000 ] - [ 0.0035694000000000, -0.0085168600000000, 0.0052454400000000 ] - [ 0.0001959900000000, -0.0001761800000000, 0.0007405400000000 ] - [ 0.0001959900000000, -0.0001761800000000, -0.0007405400000000 ] - [ 0.0035694000000000, -0.0085168600000000, -0.0052454400000000 ] - [ -0.0035707700000000, 0.0020873700000000, -0.0063377600000000 ] - [ -0.0002003300000000, -0.0000256200000000, -0.0003021900000000 ] - [ -0.0002003300000000, -0.0000256200000000, 0.0003021900000000 ] - [ -0.0035707700000000, 0.0020873700000000, 0.0063377600000000 ] - [ 0.0024184200000000, 0.0025566500000000, 0.0000000000000000 ] - [ 0.0007802800000000, 0.0008830900000000, -0.0001942800000000 ] - [ 0.0000111000000000, 0.0003816600000000, 0.0000000000000000 ] - [ 0.0007802800000000, 0.0008830900000000, 0.0001942800000000 ] - [ -0.0008619100000000, -0.0015371500000000, -0.0005107200000000 ] - [ -0.0005366100000000, -0.0005447400000000, -0.0001601900000000 ] - [ -0.0005366100000000, -0.0005447400000000, 0.0001601900000000 ] - [ -0.0008619100000000, -0.0015371500000000, 0.0005107200000000 ] - [ 0.0004264700000000, -0.0007799300000000, -0.0001521400000000 ] - [ 0.0002903800000000, 0.0002368000000000, -0.0003268900000000 ] - [ 0.0002903800000000, 0.0002368000000000, 0.0003268900000000 ] - [ 0.0004264700000000, -0.0007799300000000, 0.0001521400000000 ] - [ -0.0000791900000000, -0.0011355300000000, 0.0000000000000000 ] - [ -0.0000766000000000, -0.0007551600000000, -0.0000187100000000 ] - [ 0.0001117500000000, -0.0004987500000000, 0.0000000000000000 ] - [ -0.0000766000000000, -0.0007551600000000, 0.0000187100000000 ] - [ 0.0028361700000000, -0.0045665200000000, 0.0000000000000000 ] - [ -0.0007915300000000, 0.0003646300000000, -0.0011682400000000 ] - [ -0.0004816400000000, 0.0004037700000000, 0.0000000000000000 ] - [ -0.0007915300000000, 0.0003646300000000, 0.0011682400000000 ] - [ 0.0005342100000000, 0.0072006300000000, -0.0065754100000000 ] - [ 0.0002543000000000, 0.0011366000000000, -0.0001256200000000 ] - [ 0.0002543000000000, 0.0011366000000000, 0.0001256200000000 ] - [ 0.0005342100000000, 0.0072006300000000, 0.0065754100000000 ] - [ -0.0006544600000000, -0.0022753600000000, 0.0000000000000000 ] - [ -0.0004230300000000, -0.0006117700000000, 0.0004113700000000 ] - [ -0.0005452400000000, 0.0002391600000000, 0.0000000000000000 ] - [ -0.0004230300000000, -0.0006117700000000, -0.0004113700000000 ] - [ -0.0009724500000000, -0.0039480300000000, 0.0000000000000000 ] - [ 0.0010166600000000, -0.0008646100000000, -0.0010518600000000 ] - [ 0.0008467600000000, -0.0007060600000000, 0.0000000000000000 ] - [ 0.0010166600000000, -0.0008646100000000, 0.0010518600000000 ] - [ -0.0007712800000000, -0.0004260300000000, 0.0001681800000000 ] - [ -0.0007203600000000, -0.0007105600000000, -0.0000671100000000 ] - [ -0.0007203600000000, -0.0007105600000000, 0.0000671100000000 ] - [ -0.0007712800000000, -0.0004260300000000, -0.0001681800000000 ] - [ -0.0043169700000000, -0.0190105700000000, 0.0207723800000000 ] - [ -0.0000326300000000, -0.0004999100000000, -0.0017777300000000 ] - [ -0.0000326300000000, -0.0004999100000000, 0.0017777300000000 ] - [ -0.0043169700000000, -0.0190105700000000, -0.0207723800000000 ] - [ -0.0029279500000000, 0.0026951700000000, 0.0000000000000000 ] - [ -0.0012558400000000, 0.0007915600000000, -0.0014318600000000 ] - [ -0.0003118500000000, 0.0001046400000000, 0.0000000000000000 ] - [ -0.0012558400000000, 0.0007915600000000, 0.0014318600000000 ] - [ -0.0288644400000000, -0.0261814300000000, 0.0000000000000000 ] - [ -0.0012106600000000, -0.0017722700000000, 0.0014184700000000 ] - [ -0.0003891600000000, -0.0003231000000000, 0.0000000000000000 ] - [ -0.0012106600000000, -0.0017722700000000, -0.0014184700000000 ] - [ 0.0005179200000000, -0.0024089600000000, 0.0007881800000000 ] - [ -0.0000839700000000, -0.0003547000000000, 0.0000785800000000 ] - [ -0.0000839700000000, -0.0003547000000000, -0.0000785800000000 ] - [ 0.0005179200000000, -0.0024089600000000, -0.0007881800000000 ] - [ 0.0000835300000000, 0.0027206300000000, 0.0000000000000000 ] - [ 0.0001989700000000, 0.0007430000000000, 0.0003781300000000 ] - [ 0.0001947000000000, 0.0001964500000000, 0.0000000000000000 ] - [ 0.0001989700000000, 0.0007430000000000, -0.0003781300000000 ] - [ 0.0000370700000000, 0.0009718600000000, 0.0000000000000000 ] - [ -0.0000479600000000, 0.0007074000000000, 0.0005879600000000 ] - [ -0.0000634900000000, 0.0001511300000000, 0.0000000000000000 ] - [ -0.0000479600000000, 0.0007074000000000, -0.0005879600000000 ] - [ 0.0004002300000000, 0.0007208000000000, -0.0000256700000000 ] - [ 0.0002242500000000, 0.0003496100000000, 0.0000330600000000 ] - [ 0.0002242500000000, 0.0003496100000000, -0.0000330600000000 ] - [ 0.0004002300000000, 0.0007208000000000, 0.0000256700000000 ] - [ -0.0012344000000000, 0.0009927100000000, 0.0020233500000000 ] - [ 0.0002811900000000, -0.0002033900000000, 0.0003136300000000 ] - [ 0.0002811900000000, -0.0002033900000000, -0.0003136300000000 ] - [ -0.0012344000000000, 0.0009927100000000, -0.0020233500000000 ] - [ 0.0100242000000000, -0.0140253800000000, 0.0000000000000000 ] - [ 0.0009740000000000, -0.0027913300000000, 0.0009811500000000 ] - [ 0.0000481600000000, -0.0008390100000000, 0.0000000000000000 ] - [ 0.0009740000000000, -0.0027913300000000, -0.0009811500000000 ] - [ 0.0009396600000000, 0.0022402900000000, -0.0002850200000000 ] - [ 0.0005131800000000, 0.0002559200000000, -0.0001458600000000 ] - [ 0.0005131800000000, 0.0002559200000000, 0.0001458600000000 ] - [ 0.0009396600000000, 0.0022402900000000, 0.0002850200000000 ] - [ 0.0009071500000000, 0.0017237700000000, 0.0017132100000000 ] - [ -0.0004644000000000, 0.0002311700000000, 0.0003363800000000 ] - [ -0.0004644000000000, 0.0002311700000000, -0.0003363800000000 ] - [ 0.0009071500000000, 0.0017237700000000, -0.0017132100000000 ] - [ -0.0002446500000000, 0.0003514300000000, 0.0000000000000000 ] - [ 0.0001401300000000, 0.0002399400000000, 0.0002314900000000 ] - [ 0.0002614200000000, 0.0003963200000000, 0.0000000000000000 ] - [ 0.0001401300000000, 0.0002399400000000, -0.0002314900000000 ] - [ 0.0005424400000000, -0.0016450300000000, 0.0005367700000000 ] - [ 0.0002989500000000, -0.0001987400000000, 0.0000141200000000 ] - [ 0.0002989500000000, -0.0001987400000000, -0.0000141200000000 ] - [ 0.0005424400000000, -0.0016450300000000, -0.0005367700000000 ] - [ -0.0002491500000000, 0.0027562200000000, 0.0000000000000000 ] - [ -0.0000636200000000, 0.0009913100000000, 0.0004870000000000 ] - [ -0.0001505200000000, 0.0002506900000000, 0.0000000000000000 ] - [ -0.0000636200000000, 0.0009913100000000, -0.0004870000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001464000000000, 0.0035548200000000, 0.0002340400000000 ] - [ -0.0001443700000000, 0.0002212900000000, 0.0007100400000000 ] - [ -0.0001515900000000, -0.0005134600000000, 0.0007097300000000 ] - [ -0.0004432500000000, -0.0038259300000000, 0.0002440600000000 ] - [ 0.0001507700000000, -0.0001406100000000, -0.0036016700000000 ] - [ -0.0011091400000000, -0.0011363700000000, 0.0010220100000000 ] - [ 0.0001473300000000, -0.0001480400000000, 0.0008494600000000 ] - [ 0.0014022800000000, 0.0008385500000000, 0.0010198900000000 ] - [ -0.0001456500000000, 0.0001479500000000, -0.0007540100000000 ] - [ -0.0002831800000000, 0.0003181400000000, 0.0001171600000000 ] - [ -0.0001476500000000, 0.0001474000000000, 0.0005271900000000 ] - [ -0.0000114700000000, -0.0000228900000000, 0.0001189200000000 ] - [ 0.0003804800000000, -0.0000332300000000, -0.0003890600000000 ] - [ 0.0002879800000000, 0.0000360100000000, 0.0003854100000000 ] - [ 0.0000074200000000, 0.0002583100000000, 0.0003855800000000 ] - [ -0.0000854700000000, 0.0003269600000000, -0.0003872300000000 ] - [ 0.0013052000000000, 0.0016786400000000, -0.1162227900000000 ] - [ 0.0009333100000000, 0.0037329800000000, 0.0121895000000000 ] - [ 0.0003466600000000, -0.0002019200000000, 0.0025879700000000 ] - [ -0.0002488200000000, -0.0041415100000000, 0.0120643900000000 ] - [ 0.0065351500000000, -0.0110457000000000, -0.0007128400000000 ] - [ 0.0005012500000000, -0.0004985300000000, 0.0019667100000000 ] - [ -0.0001023200000000, 0.0011931200000000, 0.0019677800000000 ] - [ -0.0061229000000000, 0.0116945100000000, -0.0007152100000000 ] - [ 0.0050124600000000, 0.0018306700000000, -0.0007289800000000 ] - [ 0.0005433500000000, -0.0004086800000000, 0.0019704800000000 ] - [ -0.0009382900000000, -0.0002885200000000, 0.0019637000000000 ] - [ -0.0053994400000000, -0.0025266800000000, -0.0006995500000000 ] - [ -0.0003519900000000, 0.0002019400000000, -0.0020504000000000 ] - [ 0.0009304000000000, 0.0003937700000000, 0.0004109200000000 ] - [ -0.0003475400000000, 0.0001995600000000, 0.0011140200000000 ] - [ -0.0016224500000000, 0.0000048000000000, 0.0004121400000000 ] - [ -0.0009709200000000, -0.0007124300000000, -0.0006514300000000 ] - [ -0.0005049300000000, -0.0003621400000000, 0.0006472100000000 ] - [ -0.0001914700000000, -0.0000387400000000, 0.0006486100000000 ] - [ 0.0002747100000000, 0.0003081000000000, -0.0006464500000000 ] - [ 0.0002479900000000, 0.0003498400000000, -0.0003119900000000 ] - [ 0.0003174500000000, 0.0005272300000000, 0.0003316500000000 ] - [ 0.0003784000000000, -0.0001241800000000, 0.0003335500000000 ] - [ 0.0004512700000000, 0.0000483900000000, -0.0003110800000000 ] - [ 0.0002006500000000, -0.0003485200000000, -0.0007295000000000 ] - [ 0.0002186500000000, -0.0005566200000000, 0.0000367100000000 ] - [ 0.0002007800000000, -0.0003473700000000, 0.0006537800000000 ] - [ 0.0001819100000000, -0.0001386300000000, 0.0000378500000000 ] - [ -0.0001874600000000, 0.0003308400000000, -0.0005947500000000 ] - [ -0.0013710900000000, 0.0014790000000000, -0.0000842700000000 ] - [ -0.0002010700000000, 0.0003481100000000, 0.0009359000000000 ] - [ 0.0009639900000000, -0.0007786700000000, -0.0000771500000000 ] - [ -0.0102623200000000, 0.0053255500000000, 0.0005765600000000 ] - [ -0.0001089500000000, 0.0006571600000000, 0.0020664100000000 ] - [ 0.0013977300000000, 0.0006322500000000, 0.0020623000000000 ] - [ 0.0114955100000000, -0.0040008600000000, 0.0006149800000000 ] - [ -0.0006453000000000, 0.0006441300000000, -0.0022054400000000 ] - [ -0.0008047300000000, 0.0000238000000000, 0.0005583100000000 ] - [ -0.0006466800000000, 0.0006467600000000, 0.0010794800000000 ] - [ -0.0004899600000000, 0.0012681100000000, 0.0005605500000000 ] - [ 0.0006396200000000, -0.0006514300000000, -0.0006093500000000 ] - [ 0.0015961800000000, 0.0000713300000000, -0.0001248300000000 ] - [ 0.0006465000000000, -0.0006451000000000, 0.0009520400000000 ] - [ -0.0003012400000000, -0.0013583000000000, -0.0001217600000000 ] - [ -0.0010187900000000, -0.0016116800000000, -0.0006199300000000 ] - [ -0.0008262600000000, -0.0009665900000000, 0.0006167400000000 ] - [ -0.0004658700000000, -0.0003278800000000, 0.0006183900000000 ] - [ -0.0002729000000000, 0.0003176200000000, -0.0006203800000000 ] - [ -0.0106961300000000, -0.0255503600000000, 0.0443148500000000 ] - [ -0.0000871800000000, 0.0001212100000000, -0.0039310300000000 ] - [ -0.0001097800000000, -0.0000997300000000, -0.0039346800000000 ] - [ 0.0098087700000000, 0.0238381000000000, 0.0419543500000000 ] - [ -0.0000108700000000, -0.0001016500000000, 0.0048908100000000 ] - [ -0.0018597600000000, 0.0015905500000000, -0.0017991200000000 ] - [ -0.0000098700000000, -0.0000996100000000, -0.0015756700000000 ] - [ 0.0018416700000000, -0.0017860000000000, -0.0017991000000000 ] - [ -0.0002492300000000, -0.0000156400000000, 0.0042394700000000 ] - [ -0.0029213000000000, -0.0019082700000000, -0.0020624000000000 ] - [ 0.0000092900000000, 0.0001003100000000, -0.0017580000000000 ] - [ 0.0029238800000000, 0.0020983100000000, -0.0020597400000000 ] - [ -0.0006974800000000, 0.0002828500000000, 0.0009688400000000 ] - [ -0.0002576800000000, 0.0001777400000000, -0.0009628500000000 ] - [ 0.0004525800000000, -0.0001922600000000, -0.0009617800000000 ] - [ 0.0008922400000000, -0.0003013400000000, 0.0009627800000000 ] - [ 0.0000977500000000, 0.0000176100000000, 0.0012571000000000 ] - [ 0.0004401600000000, -0.0002973400000000, -0.0002066300000000 ] - [ 0.0000993900000000, 0.0000084200000000, -0.0008458000000000 ] - [ -0.0002422100000000, 0.0003156900000000, -0.0002089300000000 ] - [ -0.0000996200000000, -0.0000081600000000, 0.0006364600000000 ] - [ -0.0001639000000000, 0.0000454800000000, 0.0000748000000000 ] - [ -0.0001008000000000, -0.0000102300000000, -0.0007322700000000 ] - [ -0.0000371900000000, -0.0000633100000000, 0.0000712500000000 ] - [ 0.0003059000000000, 0.0003875100000000, 0.0005941700000000 ] - [ 0.0002340400000000, 0.0003286400000000, -0.0006000000000000 ] - [ -0.0002525900000000, -0.0001285900000000, -0.0006014800000000 ] - [ -0.0003253300000000, -0.0001896100000000, 0.0005934500000000 ] - [ 0.0001079100000000, -0.0004479800000000, 0.0010591300000000 ] - [ 0.0004655700000000, -0.0004818400000000, -0.0008906400000000 ] - [ -0.0004460200000000, 0.0002805100000000, -0.0008914200000000 ] - [ -0.0001009300000000, 0.0002552600000000, 0.0010422300000000 ] - [ -0.0002575300000000, -0.0003317400000000, 0.0065692200000000 ] - [ 0.0022768200000000, -0.0027379500000000, -0.0022070200000000 ] - [ -0.0003186000000000, -0.0003180100000000, -0.0018318800000000 ] - [ -0.0029013500000000, 0.0020911000000000, -0.0022016400000000 ] - [ 0.0005607700000000, 0.0026681100000000, 0.0010289900000000 ] - [ 0.0004214400000000, 0.0001707400000000, -0.0009755100000000 ] - [ 0.0002200100000000, -0.0008101200000000, -0.0009793200000000 ] - [ 0.0000789300000000, -0.0032998200000000, 0.0010274500000000 ] - [ -0.0002353800000000, 0.0001561700000000, 0.0011133900000000 ] - [ -0.0008163000000000, -0.0001428400000000, -0.0008975800000000 ] - [ 0.0001735800000000, 0.0007769200000000, -0.0008964700000000 ] - [ -0.0004045300000000, 0.0004771800000000, 0.0011046300000000 ] - [ 0.0003189200000000, 0.0003195400000000, 0.0011356500000000 ] - [ 0.0000384800000000, 0.0006425900000000, -0.0001484300000000 ] - [ 0.0003174900000000, 0.0003190700000000, -0.0008446600000000 ] - [ 0.0005958900000000, -0.0000054100000000, -0.0001508300000000 ] - [ 0.0021289000000000, 0.0005868300000000, 0.0007901800000000 ] - [ 0.0005404200000000, 0.0001438000000000, -0.0007826300000000 ] - [ -0.0005395300000000, -0.0001417600000000, -0.0007834800000000 ] - [ -0.0021263300000000, -0.0005882400000000, 0.0007860300000000 ] - [ -0.0000002100000000, 0.0000033700000000, 0.0008730500000000 ] - [ -0.0003300800000000, -0.0000979100000000, -0.0001322900000000 ] - [ -0.0000008400000000, -0.0000002600000000, -0.0006323700000000 ] - [ 0.0003314500000000, 0.0000959800000000, -0.0001347100000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016903700000000, 0.0027854100000000, 0.0000000000000000 ] - [ 0.0001911700000000, 0.0005035800000000, 0.0004938800000000 ] - [ -0.0000830300000000, 0.0000246100000000, 0.0000000000000000 ] - [ 0.0001911700000000, 0.0005035800000000, -0.0004938800000000 ] - [ -0.0032306600000000, -0.0006743300000000, 0.0002621100000000 ] - [ -0.0032306600000000, -0.0006743300000000, -0.0002621100000000 ] - [ -0.0002426900000000, -0.0002637900000000, -0.0000904500000000 ] - [ -0.0002426900000000, -0.0002637900000000, 0.0000904500000000 ] - [ 0.0063332200000000, -0.0011861800000000, 0.0054484600000000 ] - [ 0.0063332200000000, -0.0011861800000000, -0.0054484600000000 ] - [ -0.0001172800000000, 0.0000140900000000, -0.0003465500000000 ] - [ -0.0001172800000000, 0.0000140900000000, 0.0003465500000000 ] - [ 0.0009335000000000, 0.0000850200000000, 0.0000000000000000 ] - [ 0.0005482000000000, 0.0001344700000000, -0.0001145100000000 ] - [ 0.0002798500000000, 0.0001406800000000, 0.0000000000000000 ] - [ 0.0005482000000000, 0.0001344700000000, 0.0001145100000000 ] - [ 0.0104725400000000, -0.0000689300000000, -0.0109549500000000 ] - [ 0.0104725400000000, -0.0000689300000000, 0.0109549500000000 ] - [ 0.0006896600000000, 0.0001904600000000, 0.0007554100000000 ] - [ 0.0006896600000000, 0.0001904600000000, -0.0007554100000000 ] - [ 0.0035085800000000, -0.0061445100000000, 0.0000000000000000 ] - [ 0.0004192200000000, -0.0006206000000000, 0.0007181700000000 ] - [ 0.0002628600000000, 0.0000587400000000, 0.0000000000000000 ] - [ 0.0004192200000000, -0.0006206000000000, -0.0007181700000000 ] - [ 0.0027173600000000, -0.0004149000000000, 0.0000000000000000 ] - [ 0.0010554600000000, -0.0005591900000000, 0.0006266800000000 ] - [ 0.0002020500000000, -0.0004290100000000, 0.0000000000000000 ] - [ 0.0010554600000000, -0.0005591900000000, -0.0006266800000000 ] - [ 0.0020723000000000, 0.0003274900000000, 0.0003725700000000 ] - [ 0.0020723000000000, 0.0003274900000000, -0.0003725700000000 ] - [ 0.0001584700000000, 0.0002783200000000, -0.0001791900000000 ] - [ 0.0001584700000000, 0.0002783200000000, 0.0001791900000000 ] - [ -0.0025675400000000, -0.0002112900000000, 0.0000000000000000 ] - [ -0.0009176500000000, 0.0000178800000000, -0.0001582700000000 ] - [ -0.0005736600000000, -0.0001047600000000, 0.0000000000000000 ] - [ -0.0009176500000000, 0.0000178800000000, 0.0001582700000000 ] - [ 0.0046445900000000, -0.0014083600000000, 0.0000000000000000 ] - [ 0.0002673500000000, 0.0005739400000000, -0.0009483600000000 ] - [ 0.0002748500000000, 0.0004044200000000, 0.0000000000000000 ] - [ 0.0002673500000000, 0.0005739400000000, 0.0009483600000000 ] - [ -0.0000122900000000, 0.0002101700000000, 0.0009665100000000 ] - [ -0.0000122900000000, 0.0002101700000000, -0.0009665100000000 ] - [ 0.0002716900000000, -0.0001753900000000, -0.0003206300000000 ] - [ 0.0002716900000000, -0.0001753900000000, 0.0003206300000000 ] - [ -0.0067502400000000, 0.0015447400000000, 0.0046668700000000 ] - [ -0.0067502400000000, 0.0015447400000000, -0.0046668700000000 ] - [ -0.0006930400000000, 0.0007720600000000, -0.0000144400000000 ] - [ -0.0006930400000000, 0.0007720600000000, 0.0000144400000000 ] - [ -0.0977975300000000, -0.0722096300000000, 0.0000000000000000 ] - [ -0.0030796600000000, -0.0016201500000000, 0.0024467500000000 ] - [ -0.0000784100000000, 0.0002214000000000, 0.0000000000000000 ] - [ -0.0030796600000000, -0.0016201500000000, -0.0024467500000000 ] - [ -0.0009068800000000, 0.0002153700000000, -0.0003633200000000 ] - [ -0.0009068800000000, 0.0002153700000000, 0.0003633200000000 ] - [ -0.0006773600000000, 0.0005688800000000, 0.0000486500000000 ] - [ -0.0006773600000000, 0.0005688800000000, -0.0000486500000000 ] - [ 0.0020356600000000, -0.0002133300000000, 0.0003526100000000 ] - [ 0.0020356600000000, -0.0002133300000000, -0.0003526100000000 ] - [ 0.0009480300000000, -0.0005688600000000, -0.0001219200000000 ] - [ 0.0009480300000000, -0.0005688600000000, 0.0001219200000000 ] - [ 0.0072810200000000, 0.0048107900000000, 0.0000000000000000 ] - [ -0.0003012400000000, -0.0004338400000000, -0.0016422300000000 ] - [ -0.0007040800000000, -0.0007881300000000, 0.0000000000000000 ] - [ -0.0003012400000000, -0.0004338400000000, 0.0016422300000000 ] - [ -0.0063301200000000, 0.0060439800000000, 0.0000000000000000 ] - [ -0.0002079400000000, 0.0010076700000000, -0.0021876200000000 ] - [ -0.0000747100000000, 0.0002213700000000, 0.0000000000000000 ] - [ -0.0002079400000000, 0.0010076700000000, 0.0021876200000000 ] - [ -0.0021048200000000, 0.0011260000000000, 0.0013179100000000 ] - [ -0.0021048200000000, 0.0011260000000000, -0.0013179100000000 ] - [ -0.0004594400000000, 0.0000912300000000, -0.0002334700000000 ] - [ -0.0004594400000000, 0.0000912300000000, 0.0002334700000000 ] - [ -0.0028357000000000, -0.0009697200000000, 0.0007497000000000 ] - [ -0.0028357000000000, -0.0009697200000000, -0.0007497000000000 ] - [ -0.0005439200000000, -0.0000654400000000, -0.0002038100000000 ] - [ -0.0005439200000000, -0.0000654400000000, 0.0002038100000000 ] - [ -0.0034513800000000, 0.0003138100000000, 0.0000000000000000 ] - [ -0.0010171200000000, 0.0001335300000000, 0.0004299500000000 ] - [ -0.0002198800000000, 0.0001225700000000, 0.0000000000000000 ] - [ -0.0010171200000000, 0.0001335300000000, -0.0004299500000000 ] - [ 0.0016049300000000, -0.0006492100000000, -0.0005719200000000 ] - [ 0.0016049300000000, -0.0006492100000000, 0.0005719200000000 ] - [ 0.0003309100000000, -0.0001929900000000, 0.0000637000000000 ] - [ 0.0003309100000000, -0.0001929900000000, -0.0000637000000000 ] - [ -0.0011788100000000, 0.0001442500000000, -0.0012825400000000 ] - [ -0.0011788100000000, 0.0001442500000000, 0.0012825400000000 ] - [ -0.0001321800000000, -0.0002632300000000, 0.0002121400000000 ] - [ -0.0001321800000000, -0.0002632300000000, -0.0002121400000000 ] - [ 0.0011207800000000, -0.0025244600000000, 0.0000000000000000 ] - [ 0.0004664700000000, -0.0002233400000000, 0.0006170900000000 ] - [ 0.0001838900000000, 0.0000038400000000, 0.0000000000000000 ] - [ 0.0004664700000000, -0.0002233400000000, -0.0006170900000000 ] - [ 0.0006775300000000, 0.0084732100000000, 0.0000000000000000 ] - [ 0.0020355200000000, -0.0006845400000000, 0.0004218400000000 ] - [ 0.0003709300000000, -0.0002437700000000, 0.0000000000000000 ] - [ 0.0020355200000000, -0.0006845400000000, -0.0004218400000000 ] - [ 0.0139678000000000, 0.0063320600000000, -0.0172120300000000 ] - [ 0.0139678000000000, 0.0063320600000000, 0.0172120300000000 ] - [ 0.0002164200000000, -0.0004614500000000, -0.0011472900000000 ] - [ 0.0002164200000000, -0.0004614500000000, 0.0011472900000000 ] - [ 0.0011862400000000, 0.0014173300000000, 0.0000000000000000 ] - [ 0.0007971500000000, -0.0000158500000000, -0.0000284400000000 ] - [ 0.0004670600000000, -0.0002277300000000, 0.0000000000000000 ] - [ 0.0007971500000000, -0.0000158500000000, 0.0000284400000000 ] - [ -0.0026412300000000, 0.0002355900000000, 0.0000000000000000 ] - [ -0.0012192800000000, 0.0001940200000000, 0.0002602700000000 ] - [ -0.0005814000000000, 0.0002265200000000, 0.0000000000000000 ] - [ -0.0012192800000000, 0.0001940200000000, -0.0002602700000000 ] - [ -0.0019322100000000, -0.0009356500000000, -0.0020320900000000 ] - [ -0.0019322100000000, -0.0009356500000000, 0.0020320900000000 ] - [ 0.0001108900000000, 0.0003336500000000, 0.0004226900000000 ] - [ 0.0001108900000000, 0.0003336500000000, -0.0004226900000000 ] - [ 0.0548044200000000, 0.0502820100000000, 0.0000000000000000 ] - [ 0.0015255300000000, 0.0006600000000000, 0.0020101200000000 ] - [ 0.0003792600000000, 0.0002592500000000, 0.0000000000000000 ] - [ 0.0015255300000000, 0.0006600000000000, -0.0020101200000000 ] - [ -0.0006789200000000, -0.0001564700000000, 0.0001454400000000 ] - [ -0.0006789200000000, -0.0001564700000000, -0.0001454400000000 ] - [ -0.0002203300000000, -0.0000833600000000, -0.0000391300000000 ] - [ -0.0002203300000000, -0.0000833600000000, 0.0000391300000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0019548500000000, -0.0030328300000000, 0.0000000000000000 ] - [ -0.0004667300000000, -0.0007760100000000, -0.0004932900000000 ] - [ -0.0001895700000000, -0.0002951500000000, 0.0000000000000000 ] - [ -0.0004667300000000, -0.0007760100000000, 0.0004932900000000 ] - [ 0.0034861600000000, 0.0004263900000000, -0.0002508000000000 ] - [ 0.0034861600000000, 0.0004263900000000, 0.0002508000000000 ] - [ 0.0005115800000000, -0.0000071700000000, 0.0000897600000000 ] - [ 0.0005115800000000, -0.0000071700000000, -0.0000897600000000 ] - [ -0.0066902800000000, 0.0014635600000000, -0.0055279700000000 ] - [ -0.0066902800000000, 0.0014635600000000, 0.0055279700000000 ] - [ -0.0001515400000000, 0.0002561700000000, 0.0003469900000000 ] - [ -0.0001515400000000, 0.0002561700000000, -0.0003469900000000 ] - [ -0.0006602300000000, 0.0001875200000000, 0.0000000000000000 ] - [ -0.0002759500000000, 0.0001375500000000, 0.0001155400000000 ] - [ -0.0000082800000000, 0.0001308700000000, 0.0000000000000000 ] - [ -0.0002759500000000, 0.0001375500000000, -0.0001155400000000 ] - [ -0.0096958000000000, -0.0003115400000000, 0.0108034200000000 ] - [ -0.0096958000000000, -0.0003115400000000, -0.0108034200000000 ] - [ -0.0000067800000000, -0.0005808600000000, -0.0007521200000000 ] - [ -0.0000067800000000, -0.0005808600000000, 0.0007521200000000 ] - [ -0.0030851800000000, 0.0067865800000000, 0.0000000000000000 ] - [ -0.0000274300000000, 0.0013073500000000, -0.0007113500000000 ] - [ 0.0001292900000000, 0.0006292100000000, 0.0000000000000000 ] - [ -0.0000274300000000, 0.0013073500000000, 0.0007113500000000 ] - [ -0.0031022600000000, -0.0002757500000000, 0.0000000000000000 ] - [ -0.0014465700000000, -0.0001295300000000, -0.0006194600000000 ] - [ -0.0005958400000000, -0.0002597900000000, 0.0000000000000000 ] - [ -0.0014465700000000, -0.0001295300000000, 0.0006194600000000 ] - [ -0.0027485500000000, 0.0000631000000000, -0.0003733400000000 ] - [ -0.0027485500000000, 0.0000631000000000, 0.0003733400000000 ] - [ -0.0008434600000000, 0.0001153000000000, 0.0001807400000000 ] - [ -0.0008434600000000, 0.0001153000000000, -0.0001807400000000 ] - [ 0.0018715400000000, -0.0001846800000000, 0.0000000000000000 ] - [ 0.0002257900000000, -0.0004149100000000, 0.0001561100000000 ] - [ -0.0001127300000000, -0.0002904200000000, 0.0000000000000000 ] - [ 0.0002257900000000, -0.0004149100000000, -0.0001561100000000 ] - [ -0.0039639700000000, 0.0018151100000000, 0.0000000000000000 ] - [ 0.0004266200000000, -0.0001793400000000, 0.0009502500000000 ] - [ 0.0004125100000000, -0.0000116700000000, 0.0000000000000000 ] - [ 0.0004266200000000, -0.0001793400000000, -0.0009502500000000 ] - [ 0.0004079900000000, -0.0008916400000000, -0.0009632000000000 ] - [ 0.0004079900000000, -0.0008916400000000, 0.0009632000000000 ] - [ 0.0001235200000000, -0.0005106900000000, 0.0003187700000000 ] - [ 0.0001235200000000, -0.0005106900000000, -0.0003187700000000 ] - [ 0.0063903600000000, -0.0009104700000000, -0.0046592100000000 ] - [ 0.0063903600000000, -0.0009104700000000, 0.0046592100000000 ] - [ 0.0003001500000000, -0.0000872300000000, 0.0000117200000000 ] - [ 0.0003001500000000, -0.0000872300000000, -0.0000117200000000 ] - [ 0.1010997400000000, 0.0761038200000000, 0.0000000000000000 ] - [ 0.0043616600000000, 0.0029036600000000, -0.0024888400000000 ] - [ 0.0013554400000000, 0.0010572200000000, 0.0000000000000000 ] - [ 0.0043616600000000, 0.0029036600000000, 0.0024888400000000 ] - [ -0.0003709800000000, 0.0010550100000000, 0.0003597800000000 ] - [ -0.0003709800000000, 0.0010550100000000, -0.0003597800000000 ] - [ -0.0005975800000000, 0.0007031000000000, -0.0000481100000000 ] - [ -0.0005975800000000, 0.0007031000000000, 0.0000481100000000 ] - [ -0.0007557900000000, -0.0010554400000000, -0.0003558000000000 ] - [ -0.0007557900000000, -0.0010554400000000, 0.0003558000000000 ] - [ 0.0003273000000000, -0.0007046000000000, 0.0001244100000000 ] - [ 0.0003273000000000, -0.0007046000000000, -0.0001244100000000 ] - [ -0.0085448200000000, -0.0060863300000000, 0.0000000000000000 ] - [ -0.0009722400000000, -0.0008409700000000, 0.0016365300000000 ] - [ -0.0005707500000000, -0.0004857200000000, 0.0000000000000000 ] - [ -0.0009722400000000, -0.0008409700000000, -0.0016365300000000 ] - [ 0.0063265600000000, -0.0061313200000000, 0.0000000000000000 ] - [ 0.0000631400000000, -0.0009928100000000, 0.0021712700000000 ] - [ -0.0000850900000000, -0.0002058000000000, 0.0000000000000000 ] - [ 0.0000631400000000, -0.0009928100000000, -0.0021712700000000 ] - [ 0.0020749000000000, -0.0012720300000000, -0.0013092000000000 ] - [ 0.0020749000000000, -0.0012720300000000, 0.0013092000000000 ] - [ 0.0004381500000000, -0.0002393000000000, 0.0002311700000000 ] - [ 0.0004381500000000, -0.0002393000000000, -0.0002311700000000 ] - [ 0.0028443500000000, 0.0011053300000000, -0.0007366600000000 ] - [ 0.0028443500000000, 0.0011053300000000, 0.0007366600000000 ] - [ 0.0005666900000000, 0.0002064900000000, 0.0002009700000000 ] - [ 0.0005666900000000, 0.0002064900000000, -0.0002009700000000 ] - [ 0.0035947200000000, -0.0003193700000000, 0.0000000000000000 ] - [ 0.0011693000000000, -0.0001499000000000, -0.0004328800000000 ] - [ 0.0003728500000000, -0.0001429700000000, 0.0000000000000000 ] - [ 0.0011693000000000, -0.0001499000000000, 0.0004328800000000 ] - [ -0.0014458700000000, 0.0006723000000000, 0.0005718200000000 ] - [ -0.0014458700000000, 0.0006723000000000, -0.0005718200000000 ] - [ -0.0001790400000000, 0.0002154500000000, -0.0000642500000000 ] - [ -0.0001790400000000, 0.0002154500000000, 0.0000642500000000 ] - [ 0.0010174600000000, -0.0001705400000000, 0.0012843400000000 ] - [ 0.0010174600000000, -0.0001705400000000, -0.0012843400000000 ] - [ -0.0000218800000000, 0.0002433700000000, -0.0002120200000000 ] - [ -0.0000218800000000, 0.0002433700000000, 0.0002120200000000 ] - [ -0.0011384100000000, 0.0026612300000000, 0.0000000000000000 ] - [ -0.0004858500000000, 0.0003706100000000, -0.0006137200000000 ] - [ -0.0002062500000000, 0.0001489500000000, 0.0000000000000000 ] - [ -0.0004858500000000, 0.0003706100000000, 0.0006137200000000 ] - [ -0.0007107600000000, -0.0086127300000000, 0.0000000000000000 ] - [ -0.0020234300000000, 0.0005438200000000, -0.0004230300000000 ] - [ -0.0003540500000000, 0.0000791300000000, 0.0000000000000000 ] - [ -0.0020234300000000, 0.0005438200000000, 0.0004230300000000 ] - [ -0.0147134900000000, -0.0068203900000000, 0.0168238900000000 ] - [ -0.0147134900000000, -0.0068203900000000, -0.0168238900000000 ] - [ -0.0008763700000000, -0.0001994000000000, 0.0011527900000000 ] - [ -0.0008763700000000, -0.0001994000000000, -0.0011527900000000 ] - [ -0.0005243500000000, -0.0020554300000000, 0.0000000000000000 ] - [ -0.0001316700000000, -0.0006436600000000, 0.0000283200000000 ] - [ 0.0001926900000000, -0.0004284100000000, 0.0000000000000000 ] - [ -0.0001316700000000, -0.0006436600000000, -0.0000283200000000 ] - [ 0.0019844500000000, 0.0004129200000000, 0.0000000000000000 ] - [ 0.0005582600000000, 0.0004613400000000, -0.0002651000000000 ] - [ -0.0000790400000000, 0.0004327000000000, 0.0000000000000000 ] - [ 0.0005582600000000, 0.0004613400000000, 0.0002651000000000 ] - [ 0.0025687900000000, 0.0015804600000000, 0.0020194500000000 ] - [ 0.0025687900000000, 0.0015804600000000, -0.0020194500000000 ] - [ 0.0005425000000000, 0.0003217300000000, -0.0004198100000000 ] - [ 0.0005425000000000, 0.0003217300000000, 0.0004198100000000 ] - [ -0.0567698200000000, -0.0530373100000000, 0.0000000000000000 ] - [ -0.0015343800000000, -0.0006623400000000, -0.0020072900000000 ] - [ -0.0003813500000000, -0.0002609400000000, 0.0000000000000000 ] - [ -0.0015343800000000, -0.0006623400000000, 0.0020072900000000 ] - [ 0.0006843000000000, 0.0001507100000000, -0.0001435000000000 ] - [ 0.0006843000000000, 0.0001507100000000, 0.0001435000000000 ] - [ 0.0002215600000000, 0.0000836700000000, 0.0000390300000000 ] - [ 0.0002215600000000, 0.0000836700000000, -0.0000390300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001479800000000, -0.0001479800000000, -0.0029274400000000 ] - [ 0.0010369800000000, 0.0010369800000000, 0.0009047800000000 ] - [ -0.0001460700000000, -0.0001460700000000, 0.0008099000000000 ] - [ -0.0013293200000000, -0.0013293200000000, 0.0009049300000000 ] - [ -0.0001479900000000, 0.0047051400000000, 0.0004454600000000 ] - [ 0.0004511600000000, -0.0050306500000000, 0.0004364500000000 ] - [ 0.0002098300000000, -0.0005645900000000, 0.0007882600000000 ] - [ 0.0000859300000000, 0.0002692400000000, 0.0007868600000000 ] - [ 0.0047051400000000, -0.0001479900000000, 0.0004454600000000 ] - [ -0.0050306500000000, 0.0004511600000000, 0.0004364500000000 ] - [ -0.0005645900000000, 0.0002098300000000, 0.0007882600000000 ] - [ 0.0002692400000000, 0.0000859300000000, 0.0007868600000000 ] - [ 0.0001462000000000, 0.0001462000000000, -0.0003384500000000 ] - [ 0.0001716200000000, 0.0001716200000000, -0.0000289300000000 ] - [ 0.0001466900000000, 0.0001466900000000, 0.0003929000000000 ] - [ 0.0001212600000000, 0.0001212600000000, -0.0000273800000000 ] - [ -0.0124802700000000, 0.0063492300000000, 0.0006081300000000 ] - [ 0.0132439000000000, -0.0067821000000000, 0.0005833700000000 ] - [ 0.0011748100000000, -0.0003263400000000, 0.0020645600000000 ] - [ -0.0004746100000000, -0.0000738300000000, 0.0020634000000000 ] - [ 0.0001942400000000, 0.0003646100000000, -0.0006090300000000 ] - [ 0.0012556400000000, -0.0009773900000000, -0.0001258400000000 ] - [ 0.0002016800000000, 0.0003486200000000, 0.0009521800000000 ] - [ -0.0008497100000000, 0.0016716400000000, -0.0001203900000000 ] - [ -0.0002022600000000, -0.0003478100000000, -0.0022053300000000 ] - [ 0.0002075900000000, -0.0003404400000000, 0.0005573500000000 ] - [ -0.0002018400000000, -0.0003474000000000, 0.0010791900000000 ] - [ -0.0006106900000000, -0.0003543600000000, 0.0005618000000000 ] - [ -0.0004875700000000, 0.0003702100000000, -0.0006177600000000 ] - [ -0.0002164500000000, 0.0000323500000000, -0.0006210300000000 ] - [ -0.0003482200000000, 0.0002701400000000, 0.0006170700000000 ] - [ -0.0003516500000000, 0.0001340900000000, 0.0006185100000000 ] - [ -0.0003478100000000, -0.0002022600000000, -0.0022053300000000 ] - [ -0.0003404400000000, 0.0002075900000000, 0.0005573500000000 ] - [ -0.0003474000000000, -0.0002018400000000, 0.0010791900000000 ] - [ -0.0003543600000000, -0.0006106900000000, 0.0005618000000000 ] - [ 0.0003646100000000, 0.0001942400000000, -0.0006090300000000 ] - [ -0.0009773900000000, 0.0012556400000000, -0.0001258400000000 ] - [ 0.0003486200000000, 0.0002016800000000, 0.0009521800000000 ] - [ 0.0016716400000000, -0.0008497100000000, -0.0001203900000000 ] - [ 0.0003702100000000, -0.0004875700000000, -0.0006177600000000 ] - [ 0.0000323500000000, -0.0002164500000000, -0.0006210300000000 ] - [ 0.0002701400000000, -0.0003482200000000, 0.0006170700000000 ] - [ 0.0001340900000000, -0.0003516500000000, 0.0006185100000000 ] - [ 0.0063492300000000, -0.0124802700000000, 0.0006081300000000 ] - [ -0.0067821000000000, 0.0132439000000000, 0.0005833700000000 ] - [ -0.0003263400000000, 0.0011748100000000, 0.0020645600000000 ] - [ -0.0000738300000000, -0.0004746100000000, 0.0020634000000000 ] - [ -0.0009930200000000, -0.0009930200000000, -0.1018665200000000 ] - [ -0.0018208800000000, -0.0018208800000000, 0.0130277300000000 ] - [ 0.0006432700000000, 0.0006432700000000, 0.0027597800000000 ] - [ 0.0031151800000000, 0.0031151800000000, 0.0129062100000000 ] - [ -0.0010030200000000, 0.0002889100000000, -0.0006477100000000 ] - [ -0.0002801000000000, 0.0009973700000000, -0.0006516400000000 ] - [ -0.0005935900000000, 0.0007653400000000, 0.0006503300000000 ] - [ -0.0006902500000000, 0.0005192500000000, 0.0006523800000000 ] - [ 0.0002889100000000, -0.0010030200000000, -0.0006477100000000 ] - [ 0.0009973700000000, -0.0002801000000000, -0.0006516400000000 ] - [ 0.0007653400000000, -0.0005935900000000, 0.0006503300000000 ] - [ 0.0005192500000000, -0.0006902500000000, 0.0006523800000000 ] - [ -0.0006495500000000, -0.0006495500000000, 0.0001449600000000 ] - [ -0.0022862900000000, -0.0022862900000000, -0.0003142600000000 ] - [ -0.0006421300000000, -0.0006421300000000, 0.0011060300000000 ] - [ 0.0009914300000000, 0.0009914300000000, -0.0003123700000000 ] - [ -0.0000499900000000, -0.0000170900000000, 0.0068429700000000 ] - [ -0.0023627000000000, 0.0026463900000000, -0.0021101200000000 ] - [ -0.0000921200000000, 0.0000082900000000, -0.0018119300000000 ] - [ 0.0021640100000000, -0.0026205100000000, -0.0021055700000000 ] - [ 0.0000831500000000, -0.0002644100000000, 0.0008741400000000 ] - [ -0.0000946900000000, 0.0000708400000000, 0.0008845400000000 ] - [ -0.0002895000000000, 0.0001942600000000, -0.0008294800000000 ] - [ 0.0002688500000000, -0.0003791900000000, -0.0008328000000000 ] - [ 0.0029071500000000, 0.0002142200000000, 0.0010230400000000 ] - [ -0.0028884100000000, -0.0000306700000000, 0.0010307700000000 ] - [ -0.0005722000000000, -0.0000104200000000, -0.0009734400000000 ] - [ 0.0005957900000000, 0.0001948600000000, -0.0009756200000000 ] - [ 0.0000972900000000, -0.0000122800000000, 0.0009965600000000 ] - [ 0.0003880600000000, 0.0003452800000000, -0.0000983600000000 ] - [ 0.0000949200000000, -0.0000092400000000, -0.0008400800000000 ] - [ -0.0002012000000000, -0.0003657900000000, -0.0001004800000000 ] - [ 0.0002142200000000, 0.0029071500000000, 0.0010230400000000 ] - [ -0.0000306700000000, -0.0028884100000000, 0.0010307700000000 ] - [ -0.0000104200000000, -0.0005722000000000, -0.0009734400000000 ] - [ 0.0001948600000000, 0.0005957900000000, -0.0009756200000000 ] - [ -0.0002644100000000, 0.0000831500000000, 0.0008741400000000 ] - [ 0.0000708400000000, -0.0000946900000000, 0.0008845400000000 ] - [ 0.0001942600000000, -0.0002895000000000, -0.0008294800000000 ] - [ -0.0003791900000000, 0.0002688500000000, -0.0008328000000000 ] - [ -0.0000122800000000, 0.0000972900000000, 0.0009965600000000 ] - [ 0.0003452800000000, 0.0003880600000000, -0.0000983600000000 ] - [ -0.0000092400000000, 0.0000949200000000, -0.0008400800000000 ] - [ -0.0003657900000000, -0.0002012000000000, -0.0001004800000000 ] - [ -0.0000170900000000, -0.0000499900000000, 0.0068429700000000 ] - [ 0.0026463900000000, -0.0023627000000000, -0.0021101200000000 ] - [ 0.0000082900000000, -0.0000921200000000, -0.0018119300000000 ] - [ -0.0026205100000000, 0.0021640100000000, -0.0021055700000000 ] - [ -0.0159882700000000, -0.0159882700000000, 0.0336118500000000 ] - [ 0.0165423100000000, 0.0165423100000000, 0.0356792500000000 ] - [ -0.0004041000000000, -0.0004041000000000, -0.0040696900000000 ] - [ -0.0002388600000000, -0.0002388600000000, -0.0040769400000000 ] - [ 0.0003219500000000, -0.0003245000000000, 0.0012046300000000 ] - [ -0.0000313500000000, -0.0000429800000000, -0.0001593600000000 ] - [ 0.0003214900000000, -0.0003212800000000, -0.0008895800000000 ] - [ 0.0006710200000000, -0.0005976300000000, -0.0001632600000000 ] - [ -0.0003245000000000, 0.0003219500000000, 0.0012046300000000 ] - [ -0.0000429800000000, -0.0000313500000000, -0.0001593600000000 ] - [ -0.0003212800000000, 0.0003214900000000, -0.0008895800000000 ] - [ -0.0005976300000000, 0.0006710200000000, -0.0001632600000000 ] - [ 0.0004790800000000, 0.0004790800000000, 0.0012253300000000 ] - [ 0.0001726200000000, 0.0001726200000000, 0.0012275800000000 ] - [ 0.0006770200000000, 0.0006770200000000, -0.0009176700000000 ] - [ -0.0000319100000000, -0.0000319100000000, -0.0009147600000000 ] - [ 0.0003818500000000, 0.0003818500000000, -0.0009663100000000 ] - [ 0.0028932100000000, 0.0028932100000000, -0.0021086200000000 ] - [ 0.0000003700000000, 0.0000003700000000, -0.0013704600000000 ] - [ -0.0028795900000000, -0.0028795900000000, -0.0021005200000000 ] - [ 0.0002431200000000, 0.0002431200000000, 0.0005249400000000 ] - [ -0.0002425800000000, -0.0002425800000000, 0.0005264700000000 ] - [ -0.0002339400000000, -0.0002339400000000, -0.0005383800000000 ] - [ 0.0002348200000000, 0.0002348200000000, -0.0005402500000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010833600000000, -0.0000853200000000, 0.0000000000000000 ] - [ 0.0005756100000000, -0.0001530800000000, -0.0000637200000000 ] - [ 0.0000431200000000, -0.0001236800000000, 0.0000000000000000 ] - [ 0.0005756100000000, -0.0001530800000000, 0.0000637200000000 ] - [ 0.0015144100000000, -0.0008459900000000, -0.0009062500000000 ] - [ 0.0015144100000000, -0.0008459900000000, 0.0009062500000000 ] - [ 0.0003366100000000, -0.0002400200000000, 0.0003073900000000 ] - [ 0.0003366100000000, -0.0002400200000000, -0.0003073900000000 ] - [ -0.0014237200000000, 0.0004514200000000, -0.0004033400000000 ] - [ -0.0014237200000000, 0.0004514200000000, 0.0004033400000000 ] - [ -0.0004802500000000, 0.0001703600000000, 0.0000796500000000 ] - [ -0.0004802500000000, 0.0001703600000000, -0.0000796500000000 ] - [ -0.0005738500000000, 0.0006588600000000, 0.0000000000000000 ] - [ -0.0002208000000000, 0.0003779300000000, -0.0003194600000000 ] - [ 0.0000407500000000, 0.0001803700000000, 0.0000000000000000 ] - [ -0.0002208000000000, 0.0003779300000000, 0.0003194600000000 ] - [ 0.0078687900000000, 0.0039394200000000, -0.0101960400000000 ] - [ 0.0078687900000000, 0.0039394200000000, 0.0101960400000000 ] - [ 0.0008824600000000, -0.0002406500000000, -0.0000086200000000 ] - [ 0.0008824600000000, -0.0002406500000000, 0.0000086200000000 ] - [ 0.0268405500000000, -0.0299266400000000, 0.0000000000000000 ] - [ 0.0020429800000000, -0.0000728500000000, -0.0020034000000000 ] - [ 0.0005890500000000, 0.0002359400000000, 0.0000000000000000 ] - [ 0.0020429800000000, -0.0000728500000000, 0.0020034000000000 ] - [ -0.0029772400000000, -0.0015359600000000, 0.0000000000000000 ] - [ -0.0010636500000000, -0.0000940100000000, -0.0016899200000000 ] - [ -0.0003747800000000, -0.0003534700000000, 0.0000000000000000 ] - [ -0.0010636500000000, -0.0000940100000000, 0.0016899200000000 ] - [ -0.0031915000000000, -0.0002383200000000, 0.0008015600000000 ] - [ -0.0031915000000000, -0.0002383200000000, -0.0008015600000000 ] - [ -0.0006530200000000, 0.0003587800000000, -0.0003567200000000 ] - [ -0.0006530200000000, 0.0003587800000000, 0.0003567200000000 ] - [ 0.0004382500000000, -0.0001969300000000, 0.0000000000000000 ] - [ 0.0000901600000000, -0.0000816400000000, 0.0003419100000000 ] - [ -0.0002054500000000, -0.0000761900000000, 0.0000000000000000 ] - [ 0.0000901600000000, -0.0000816400000000, -0.0003419100000000 ] - [ -0.0011763700000000, 0.0003072800000000, 0.0000000000000000 ] - [ -0.0005468900000000, 0.0002289500000000, 0.0000634600000000 ] - [ 0.0000547500000000, 0.0002195300000000, 0.0000000000000000 ] - [ -0.0005468900000000, 0.0002289500000000, -0.0000634600000000 ] - [ -0.0004477900000000, -0.0005806300000000, -0.0002882100000000 ] - [ -0.0004477900000000, -0.0005806300000000, 0.0002882100000000 ] - [ -0.0000773900000000, -0.0003812300000000, 0.0002282200000000 ] - [ -0.0000773900000000, -0.0003812300000000, -0.0002282200000000 ] - [ -0.0012623000000000, 0.0023672600000000, -0.0003507900000000 ] - [ -0.0012623000000000, 0.0023672600000000, 0.0003507900000000 ] - [ -0.0000651300000000, 0.0005975200000000, 0.0003804300000000 ] - [ -0.0000651300000000, 0.0005975200000000, -0.0003804300000000 ] - [ -0.0057361600000000, 0.0091956300000000, 0.0000000000000000 ] - [ 0.0005062600000000, 0.0000271200000000, 0.0022618100000000 ] - [ 0.0006500100000000, 0.0004849500000000, 0.0000000000000000 ] - [ 0.0005062600000000, 0.0000271200000000, -0.0022618100000000 ] - [ 0.0008840700000000, 0.0016794200000000, 0.0001153600000000 ] - [ 0.0008840700000000, 0.0016794200000000, -0.0001153600000000 ] - [ -0.0003884600000000, 0.0007787800000000, -0.0001030000000000 ] - [ -0.0003884600000000, 0.0007787800000000, 0.0001030000000000 ] - [ -0.0004506400000000, -0.0018448700000000, 0.0001687500000000 ] - [ -0.0004506400000000, -0.0018448700000000, -0.0001687500000000 ] - [ 0.0005907000000000, -0.0008093800000000, -0.0002860000000000 ] - [ 0.0005907000000000, -0.0008093800000000, 0.0002860000000000 ] - [ -0.0041652600000000, -0.0032219100000000, 0.0000000000000000 ] - [ -0.0017349600000000, -0.0009427800000000, 0.0002910200000000 ] - [ -0.0009391000000000, -0.0007180000000000, 0.0000000000000000 ] - [ -0.0017349600000000, -0.0009427800000000, -0.0002910200000000 ] - [ -0.0552327500000000, 0.0253915400000000, 0.0000000000000000 ] - [ -0.0021954400000000, 0.0007859100000000, -0.0003814100000000 ] - [ -0.0004724200000000, 0.0001746700000000, 0.0000000000000000 ] - [ -0.0021954400000000, 0.0007859100000000, 0.0003814100000000 ] - [ 0.0034220300000000, -0.0045589100000000, -0.0055581100000000 ] - [ 0.0034220300000000, -0.0045589100000000, 0.0055581100000000 ] - [ -0.0001884100000000, -0.0000428900000000, 0.0005422200000000 ] - [ -0.0001884100000000, -0.0000428900000000, -0.0005422200000000 ] - [ 0.0034822500000000, 0.0045554700000000, -0.0028803700000000 ] - [ 0.0034822500000000, 0.0045554700000000, 0.0028803700000000 ] - [ -0.0002530100000000, 0.0000449500000000, 0.0004725200000000 ] - [ -0.0002530100000000, 0.0000449500000000, -0.0004725200000000 ] - [ 0.0033056700000000, -0.0005055100000000, 0.0000000000000000 ] - [ 0.0010563700000000, -0.0000922000000000, 0.0006535700000000 ] - [ 0.0003518100000000, -0.0000472700000000, 0.0000000000000000 ] - [ 0.0010563700000000, -0.0000922000000000, -0.0006535700000000 ] - [ -0.0005441300000000, -0.0010032200000000, 0.0000879700000000 ] - [ -0.0005441300000000, -0.0010032200000000, -0.0000879700000000 ] - [ -0.0001740500000000, -0.0002138000000000, -0.0001028600000000 ] - [ -0.0001740500000000, -0.0002138000000000, 0.0001028600000000 ] - [ 0.0007729900000000, 0.0001297900000000, 0.0000959200000000 ] - [ 0.0007729900000000, 0.0001297900000000, -0.0000959200000000 ] - [ 0.0003232500000000, 0.0000564700000000, -0.0000106100000000 ] - [ 0.0003232500000000, 0.0000564700000000, 0.0000106100000000 ] - [ 0.0005711900000000, 0.0011105600000000, 0.0000000000000000 ] - [ 0.0003842200000000, 0.0005134300000000, -0.0004612500000000 ] - [ 0.0000641400000000, 0.0001281400000000, 0.0000000000000000 ] - [ 0.0003842200000000, 0.0005134300000000, 0.0004612500000000 ] - [ 0.0014978900000000, -0.0018334300000000, 0.0000000000000000 ] - [ 0.0009649500000000, -0.0006950300000000, -0.0007880400000000 ] - [ 0.0001764700000000, -0.0002076800000000, 0.0000000000000000 ] - [ 0.0009649500000000, -0.0006950300000000, 0.0007880400000000 ] - [ 0.0005050900000000, -0.0060931700000000, 0.0059982300000000 ] - [ 0.0005050900000000, -0.0060931700000000, -0.0059982300000000 ] - [ -0.0006942900000000, -0.0002261700000000, -0.0006471400000000 ] - [ -0.0006942900000000, -0.0002261700000000, 0.0006471400000000 ] - [ -0.0017190600000000, -0.0009473000000000, 0.0000000000000000 ] - [ -0.0008577800000000, -0.0005389400000000, 0.0002101000000000 ] - [ 0.0000066700000000, -0.0004193900000000, 0.0000000000000000 ] - [ -0.0008577800000000, -0.0005389400000000, -0.0002101000000000 ] - [ 0.0012476500000000, 0.0011612000000000, 0.0000000000000000 ] - [ 0.0007946900000000, 0.0008331700000000, 0.0006518300000000 ] - [ -0.0000800400000000, 0.0003977200000000, 0.0000000000000000 ] - [ 0.0007946900000000, 0.0008331700000000, -0.0006518300000000 ] - [ 0.0021326400000000, 0.0005704100000000, 0.0004281200000000 ] - [ 0.0021326400000000, 0.0005704100000000, -0.0004281200000000 ] - [ 0.0008068000000000, 0.0002718700000000, -0.0000709000000000 ] - [ 0.0008068000000000, 0.0002718700000000, 0.0000709000000000 ] - [ 0.0097900500000000, 0.0028085800000000, 0.0000000000000000 ] - [ 0.0008343800000000, 0.0001107900000000, -0.0010190600000000 ] - [ 0.0001531500000000, 0.0000939600000000, 0.0000000000000000 ] - [ 0.0008343800000000, 0.0001107900000000, 0.0010190600000000 ] - [ -0.0003376400000000, -0.0000066900000000, -0.0000701900000000 ] - [ -0.0003376400000000, -0.0000066900000000, 0.0000701900000000 ] - [ -0.0001464800000000, -0.0000279100000000, 0.0001124800000000 ] - [ -0.0001464800000000, -0.0000279100000000, -0.0001124800000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013702800000000, -0.0001979600000000, 0.0000000000000000 ] - [ -0.0008622700000000, -0.0001315700000000, 0.0000649300000000 ] - [ -0.0003299500000000, -0.0001617000000000, 0.0000000000000000 ] - [ -0.0008622700000000, -0.0001315700000000, -0.0000649300000000 ] - [ -0.0012907600000000, 0.0005083500000000, 0.0008486300000000 ] - [ -0.0012907600000000, 0.0005083500000000, -0.0008486300000000 ] - [ -0.0000509300000000, -0.0000474300000000, -0.0003078800000000 ] - [ -0.0000509300000000, -0.0000474300000000, 0.0003078800000000 ] - [ 0.0011380100000000, -0.0001688400000000, 0.0004083500000000 ] - [ 0.0011380100000000, -0.0001688400000000, -0.0004083500000000 ] - [ 0.0001933500000000, 0.0001158900000000, -0.0000796800000000 ] - [ 0.0001933500000000, 0.0001158900000000, 0.0000796800000000 ] - [ 0.0008662800000000, -0.0003734800000000, 0.0000000000000000 ] - [ 0.0005098500000000, -0.0000913800000000, 0.0003196700000000 ] - [ 0.0002471500000000, 0.0001063700000000, 0.0000000000000000 ] - [ 0.0005098500000000, -0.0000913800000000, -0.0003196700000000 ] - [ -0.0073738700000000, -0.0043971500000000, 0.0102901700000000 ] - [ -0.0073738700000000, -0.0043971500000000, -0.0102901700000000 ] - [ -0.0001890100000000, -0.0001518400000000, 0.0000152900000000 ] - [ -0.0001890100000000, -0.0001518400000000, -0.0000152900000000 ] - [ -0.0260214500000000, 0.0293147200000000, 0.0000000000000000 ] - [ -0.0016391000000000, 0.0007568200000000, 0.0020050700000000 ] - [ -0.0001893500000000, 0.0004553100000000, 0.0000000000000000 ] - [ -0.0016391000000000, 0.0007568200000000, -0.0020050700000000 ] - [ 0.0025585400000000, 0.0008045200000000, 0.0000000000000000 ] - [ 0.0006677600000000, -0.0005994200000000, 0.0016885300000000 ] - [ -0.0000224700000000, -0.0003397200000000, 0.0000000000000000 ] - [ 0.0006677600000000, -0.0005994200000000, -0.0016885300000000 ] - [ 0.0025046700000000, 0.0006455100000000, -0.0007893600000000 ] - [ 0.0025046700000000, 0.0006455100000000, 0.0007893600000000 ] - [ -0.0000357000000000, 0.0000418400000000, 0.0003552800000000 ] - [ -0.0000357000000000, 0.0000418400000000, -0.0003552800000000 ] - [ -0.0011461100000000, -0.0002052500000000, 0.0000000000000000 ] - [ -0.0007840300000000, -0.0003150100000000, -0.0003415000000000 ] - [ -0.0004870800000000, -0.0003222600000000, 0.0000000000000000 ] - [ -0.0007840300000000, -0.0003150100000000, 0.0003415000000000 ] - [ 0.0018664300000000, 0.0000924800000000, 0.0000000000000000 ] - [ 0.0012384900000000, 0.0001711400000000, -0.0000644800000000 ] - [ 0.0006366000000000, 0.0001796100000000, 0.0000000000000000 ] - [ 0.0012384900000000, 0.0001711400000000, 0.0000644800000000 ] - [ 0.0008473600000000, -0.0001076900000000, 0.0002895200000000 ] - [ 0.0008473600000000, -0.0001076900000000, -0.0002895200000000 ] - [ 0.0004778700000000, -0.0003092200000000, -0.0002290700000000 ] - [ 0.0004778700000000, -0.0003092200000000, 0.0002290700000000 ] - [ 0.0008615800000000, -0.0016737000000000, 0.0003506800000000 ] - [ 0.0008615800000000, -0.0016737000000000, -0.0003506800000000 ] - [ -0.0003340900000000, 0.0000948200000000, -0.0003807600000000 ] - [ -0.0003340900000000, 0.0000948200000000, 0.0003807600000000 ] - [ 0.0069102200000000, -0.0078894000000000, 0.0000000000000000 ] - [ 0.0007693400000000, 0.0012530900000000, -0.0022636500000000 ] - [ 0.0006315400000000, 0.0007976500000000, 0.0000000000000000 ] - [ 0.0007693400000000, 0.0012530900000000, 0.0022636500000000 ] - [ -0.0021615400000000, -0.0004010900000000, -0.0001275300000000 ] - [ -0.0021615400000000, -0.0004010900000000, 0.0001275300000000 ] - [ -0.0008931900000000, 0.0005021500000000, 0.0001023100000000 ] - [ -0.0008931900000000, 0.0005021500000000, -0.0001023100000000 ] - [ 0.0017355000000000, 0.0005611400000000, -0.0001674500000000 ] - [ 0.0017355000000000, 0.0005611400000000, 0.0001674500000000 ] - [ 0.0006921500000000, -0.0004717800000000, 0.0002865700000000 ] - [ 0.0006921500000000, -0.0004717800000000, -0.0002865700000000 ] - [ 0.0028886500000000, 0.0019629100000000, 0.0000000000000000 ] - [ 0.0004532400000000, -0.0003387000000000, -0.0002960600000000 ] - [ -0.0003435000000000, -0.0005649800000000, 0.0000000000000000 ] - [ 0.0004532400000000, -0.0003387000000000, 0.0002960600000000 ] - [ 0.0552503900000000, -0.0239209300000000, 0.0000000000000000 ] - [ 0.0020224800000000, -0.0007709200000000, 0.0003528500000000 ] - [ 0.0002926100000000, -0.0001604600000000, 0.0000000000000000 ] - [ 0.0020224800000000, -0.0007709200000000, -0.0003528500000000 ] - [ -0.0034404100000000, 0.0043578200000000, 0.0055225300000000 ] - [ -0.0034404100000000, 0.0043578200000000, -0.0055225300000000 ] - [ 0.0001681400000000, -0.0001263700000000, -0.0005441000000000 ] - [ 0.0001681400000000, -0.0001263700000000, 0.0005441000000000 ] - [ -0.0034764900000000, -0.0043632900000000, 0.0028670000000000 ] - [ -0.0034764900000000, -0.0043632900000000, -0.0028670000000000 ] - [ 0.0002680700000000, 0.0001266300000000, -0.0004694900000000 ] - [ 0.0002680700000000, 0.0001266300000000, 0.0004694900000000 ] - [ -0.0031211100000000, 0.0004813300000000, 0.0000000000000000 ] - [ -0.0008808500000000, 0.0000714000000000, -0.0006514800000000 ] - [ -0.0001776900000000, 0.0000296100000000, 0.0000000000000000 ] - [ -0.0008808500000000, 0.0000714000000000, 0.0006514800000000 ] - [ 0.0007231600000000, 0.0010196000000000, -0.0000942200000000 ] - [ 0.0007231600000000, 0.0010196000000000, 0.0000942200000000 ] - [ 0.0003476800000000, 0.0002318600000000, 0.0000990900000000 ] - [ 0.0003476800000000, 0.0002318600000000, -0.0000990900000000 ] - [ -0.0009491300000000, -0.0001512500000000, -0.0000920500000000 ] - [ -0.0009491300000000, -0.0001512500000000, 0.0000920500000000 ] - [ -0.0004961600000000, -0.0000729600000000, 0.0000109400000000 ] - [ -0.0004961600000000, -0.0000729600000000, -0.0000109400000000 ] - [ -0.0005935800000000, -0.0009412900000000, 0.0000000000000000 ] - [ -0.0004004000000000, -0.0003471000000000, 0.0004654600000000 ] - [ -0.0000844600000000, 0.0000464500000000, 0.0000000000000000 ] - [ -0.0004004000000000, -0.0003471000000000, -0.0004654600000000 ] - [ -0.0014774800000000, 0.0016681600000000, 0.0000000000000000 ] - [ -0.0009441600000000, 0.0005236300000000, 0.0007850400000000 ] - [ -0.0001591200000000, 0.0000316500000000, 0.0000000000000000 ] - [ -0.0009441600000000, 0.0005236300000000, -0.0007850400000000 ] - [ -0.0010997300000000, 0.0054938100000000, -0.0060512900000000 ] - [ -0.0010997300000000, 0.0054938100000000, 0.0060512900000000 ] - [ 0.0000588800000000, -0.0004129400000000, 0.0006490100000000 ] - [ 0.0000588800000000, -0.0004129400000000, -0.0006490100000000 ] - [ 0.0023903800000000, 0.0003631400000000, 0.0000000000000000 ] - [ 0.0014940200000000, -0.0000988200000000, -0.0002098600000000 ] - [ 0.0006306600000000, -0.0002156000000000, 0.0000000000000000 ] - [ 0.0014940200000000, -0.0000988200000000, 0.0002098600000000 ] - [ -0.0018810100000000, -0.0005173500000000, 0.0000000000000000 ] - [ -0.0014304300000000, -0.0001937100000000, -0.0006528100000000 ] - [ -0.0005549200000000, 0.0002381800000000, 0.0000000000000000 ] - [ -0.0014304300000000, -0.0001937100000000, 0.0006528100000000 ] - [ -0.0014998600000000, 0.0000603300000000, -0.0004367900000000 ] - [ -0.0014998600000000, 0.0000603300000000, 0.0004367900000000 ] - [ -0.0001695700000000, 0.0003636100000000, 0.0000728500000000 ] - [ -0.0001695700000000, 0.0003636100000000, -0.0000728500000000 ] - [ -0.0099024600000000, -0.0028286600000000, 0.0000000000000000 ] - [ -0.0008343000000000, -0.0001089300000000, 0.0010245300000000 ] - [ -0.0001513100000000, -0.0000931800000000, 0.0000000000000000 ] - [ -0.0008343000000000, -0.0001089300000000, -0.0010245300000000 ] - [ 0.0003393200000000, 0.0000046300000000, 0.0000719200000000 ] - [ 0.0003393200000000, 0.0000046300000000, -0.0000719200000000 ] - [ 0.0001470200000000, 0.0000271300000000, -0.0001121100000000 ] - [ 0.0001470200000000, 0.0000271300000000, 0.0001121100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005535700000000, -0.0028755200000000, 0.0000000000000000 ] - [ -0.0003140900000000, -0.0010619300000000, -0.0004626600000000 ] - [ -0.0001808400000000, -0.0003577900000000, 0.0000000000000000 ] - [ -0.0003140900000000, -0.0010619300000000, 0.0004626600000000 ] - [ -0.0007767400000000, 0.0017817400000000, -0.0007194400000000 ] - [ -0.0007767400000000, 0.0017817400000000, 0.0007194400000000 ] - [ 0.0000318900000000, 0.0001005700000000, 0.0002715200000000 ] - [ 0.0000318900000000, 0.0001005700000000, -0.0002715200000000 ] - [ 0.0002227700000000, 0.0004756000000000, 0.0001347500000000 ] - [ 0.0002227700000000, 0.0004756000000000, -0.0001347500000000 ] - [ -0.0000776400000000, 0.0003117200000000, -0.0000997200000000 ] - [ -0.0000776400000000, 0.0003117200000000, 0.0000997200000000 ] - [ 0.0011196500000000, -0.0008509000000000, 0.0000000000000000 ] - [ 0.0005199500000000, -0.0003431600000000, 0.0004268300000000 ] - [ 0.0002567500000000, 0.0000120000000000, 0.0000000000000000 ] - [ 0.0005199500000000, -0.0003431600000000, -0.0004268300000000 ] - [ 0.0071279100000000, 0.0188534700000000, -0.0251194900000000 ] - [ 0.0071279100000000, 0.0188534700000000, 0.0251194900000000 ] - [ 0.0002835800000000, 0.0003138800000000, -0.0001059200000000 ] - [ 0.0002835800000000, 0.0003138800000000, 0.0001059200000000 ] - [ -0.0282042100000000, 0.0456729100000000, 0.0000000000000000 ] - [ -0.0010205800000000, 0.0014524300000000, 0.0029201100000000 ] - [ -0.0002018400000000, 0.0007387600000000, 0.0000000000000000 ] - [ -0.0010205800000000, 0.0014524300000000, -0.0029201100000000 ] - [ -0.0031130800000000, 0.0009842100000000, 0.0000000000000000 ] - [ -0.0014407800000000, 0.0006798500000000, -0.0018509200000000 ] - [ -0.0004965000000000, -0.0000912900000000, 0.0000000000000000 ] - [ -0.0014407800000000, 0.0006798500000000, 0.0018509200000000 ] - [ 0.0023239600000000, 0.0025931600000000, -0.0002938300000000 ] - [ 0.0023239600000000, 0.0025931600000000, 0.0002938300000000 ] - [ -0.0000043500000000, 0.0005450200000000, 0.0001850400000000 ] - [ -0.0000043500000000, 0.0005450200000000, -0.0001850400000000 ] - [ -0.0031103900000000, -0.0029036200000000, 0.0000000000000000 ] - [ -0.0007880600000000, -0.0009314600000000, 0.0003050400000000 ] - [ -0.0005062700000000, -0.0003830400000000, 0.0000000000000000 ] - [ -0.0007880600000000, -0.0009314600000000, -0.0003050400000000 ] - [ 0.0007524200000000, -0.0007787500000000, 0.0000000000000000 ] - [ 0.0005775000000000, -0.0005125300000000, 0.0000541700000000 ] - [ 0.0004121300000000, 0.0000428300000000, 0.0000000000000000 ] - [ 0.0005775000000000, -0.0005125300000000, -0.0000541700000000 ] - [ -0.0002110600000000, -0.0009656700000000, -0.0003143200000000 ] - [ -0.0002110600000000, -0.0009656700000000, 0.0003143200000000 ] - [ -0.0000343900000000, -0.0005933500000000, 0.0002434700000000 ] - [ -0.0000343900000000, -0.0005933500000000, -0.0002434700000000 ] - [ 0.0010430900000000, -0.0030814200000000, 0.0001023300000000 ] - [ 0.0010430900000000, -0.0030814200000000, -0.0001023300000000 ] - [ -0.0004712200000000, -0.0001817900000000, -0.0004579800000000 ] - [ -0.0004712200000000, -0.0001817900000000, 0.0004579800000000 ] - [ 0.0067217000000000, 0.0013663200000000, 0.0000000000000000 ] - [ 0.0016408800000000, 0.0026828300000000, -0.0026366800000000 ] - [ 0.0008564700000000, 0.0010104100000000, 0.0000000000000000 ] - [ 0.0016408800000000, 0.0026828300000000, 0.0026366800000000 ] - [ 0.0000128500000000, -0.0021934100000000, -0.0028918100000000 ] - [ 0.0000128500000000, -0.0021934100000000, 0.0028918100000000 ] - [ -0.0004419300000000, 0.0000902300000000, 0.0005830300000000 ] - [ -0.0004419300000000, 0.0000902300000000, -0.0005830300000000 ] - [ 0.0004895200000000, -0.0027331800000000, 0.0000890400000000 ] - [ 0.0004895200000000, -0.0027331800000000, -0.0000890400000000 ] - [ 0.0008997400000000, -0.0010928600000000, -0.0002792100000000 ] - [ 0.0008997400000000, -0.0010928600000000, 0.0002792100000000 ] - [ -0.0003296400000000, 0.0004744700000000, 0.0000000000000000 ] - [ -0.0005054300000000, -0.0001679100000000, 0.0003552100000000 ] - [ -0.0005140400000000, -0.0004520900000000, 0.0000000000000000 ] - [ -0.0005054300000000, -0.0001679100000000, -0.0003552100000000 ] - [ 0.0233051800000000, -0.1225738200000000, 0.0000000000000000 ] - [ 0.0006914300000000, -0.0017134000000000, -0.0000530800000000 ] - [ 0.0000741400000000, -0.0005705600000000, 0.0000000000000000 ] - [ 0.0006914300000000, -0.0017134000000000, 0.0000530800000000 ] - [ -0.0062577600000000, 0.0033767400000000, 0.0060858600000000 ] - [ -0.0062577600000000, 0.0033767400000000, -0.0060858600000000 ] - [ -0.0000793600000000, -0.0003513400000000, -0.0007786400000000 ] - [ -0.0000793600000000, -0.0003513400000000, 0.0007786400000000 ] - [ 0.0063036800000000, 0.0035280400000000, -0.0038707500000000 ] - [ 0.0063036800000000, 0.0035280400000000, 0.0038707500000000 ] - [ 0.0000765400000000, -0.0000854700000000, 0.0004945700000000 ] - [ 0.0000765400000000, -0.0000854700000000, -0.0004945700000000 ] - [ -0.0004014300000000, -0.0020198200000000, 0.0000000000000000 ] - [ 0.0000091700000000, -0.0013450800000000, -0.0002709700000000 ] - [ 0.0000518500000000, -0.0003924000000000, 0.0000000000000000 ] - [ 0.0000091700000000, -0.0013450800000000, 0.0002709700000000 ] - [ 0.0011032900000000, 0.0027686400000000, 0.0009174700000000 ] - [ 0.0011032900000000, 0.0027686400000000, -0.0009174700000000 ] - [ 0.0003152800000000, 0.0006676900000000, -0.0001527000000000 ] - [ 0.0003152800000000, 0.0006676900000000, 0.0001527000000000 ] - [ -0.0002317600000000, 0.0009805800000000, -0.0000297000000000 ] - [ -0.0002317600000000, 0.0009805800000000, 0.0000297000000000 ] - [ -0.0001586200000000, 0.0005749800000000, 0.0001190200000000 ] - [ -0.0001586200000000, 0.0005749800000000, -0.0001190200000000 ] - [ 0.0012451600000000, 0.0006736500000000, 0.0000000000000000 ] - [ 0.0004577900000000, 0.0004854200000000, -0.0004889200000000 ] - [ 0.0001127400000000, 0.0001664000000000, 0.0000000000000000 ] - [ 0.0004577900000000, 0.0004854200000000, 0.0004889200000000 ] - [ -0.0012867800000000, 0.0013955500000000, 0.0000000000000000 ] - [ -0.0009871100000000, 0.0008620000000000, 0.0010193700000000 ] - [ -0.0000151100000000, 0.0000755600000000, 0.0000000000000000 ] - [ -0.0009871100000000, 0.0008620000000000, -0.0010193700000000 ] - [ -0.0073771100000000, 0.0069021000000000, -0.0075822100000000 ] - [ -0.0073771100000000, 0.0069021000000000, 0.0075822100000000 ] - [ -0.0001907400000000, -0.0005523900000000, 0.0007696200000000 ] - [ -0.0001907400000000, -0.0005523900000000, -0.0007696200000000 ] - [ 0.0017338100000000, 0.0130441200000000, 0.0000000000000000 ] - [ 0.0007541700000000, 0.0004189200000000, -0.0013991400000000 ] - [ 0.0004756300000000, -0.0001765800000000, 0.0000000000000000 ] - [ 0.0007541700000000, 0.0004189200000000, 0.0013991400000000 ] - [ 0.0002069500000000, 0.0011992400000000, 0.0000000000000000 ] - [ 0.0002281300000000, 0.0011192000000000, 0.0006400200000000 ] - [ -0.0003298900000000, 0.0004492300000000, 0.0000000000000000 ] - [ 0.0002281300000000, 0.0011192000000000, -0.0006400200000000 ] - [ -0.0005856100000000, -0.0000526300000000, 0.0000336100000000 ] - [ -0.0005856100000000, -0.0000526300000000, -0.0000336100000000 ] - [ 0.0001872700000000, 0.0001509500000000, -0.0001012800000000 ] - [ 0.0001872700000000, 0.0001509500000000, 0.0001012800000000 ] - [ -0.0016127300000000, -0.0033923700000000, 0.0000000000000000 ] - [ -0.0002909100000000, -0.0013508000000000, -0.0000284400000000 ] - [ -0.0001148100000000, -0.0003124300000000, 0.0000000000000000 ] - [ -0.0002909100000000, -0.0013508000000000, 0.0000284400000000 ] - [ -0.0010643900000000, 0.0024122000000000, 0.0003156100000000 ] - [ -0.0010643900000000, 0.0024122000000000, -0.0003156100000000 ] - [ -0.0001674600000000, 0.0005944600000000, -0.0000757100000000 ] - [ -0.0001674600000000, 0.0005944600000000, 0.0000757100000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002705600000000, 0.0025856700000000, 0.0000000000000000 ] - [ 0.0000347500000000, 0.0007856800000000, 0.0004624300000000 ] - [ -0.0000983600000000, 0.0000797000000000, 0.0000000000000000 ] - [ 0.0000347500000000, 0.0007856800000000, -0.0004624300000000 ] - [ 0.0010147100000000, -0.0020966100000000, 0.0006807600000000 ] - [ 0.0010147100000000, -0.0020966100000000, -0.0006807600000000 ] - [ 0.0002437500000000, -0.0003817100000000, -0.0002728600000000 ] - [ 0.0002437500000000, -0.0003817100000000, 0.0002728600000000 ] - [ -0.0004995100000000, -0.0001935900000000, -0.0001363200000000 ] - [ -0.0004995100000000, -0.0001935900000000, 0.0001363200000000 ] - [ -0.0002004300000000, -0.0000315700000000, 0.0000982600000000 ] - [ -0.0002004300000000, -0.0000315700000000, -0.0000982600000000 ] - [ -0.0008399300000000, 0.0011279500000000, 0.0000000000000000 ] - [ -0.0002400500000000, 0.0006211100000000, -0.0004258300000000 ] - [ 0.0000226100000000, 0.0002670300000000, 0.0000000000000000 ] - [ -0.0002400500000000, 0.0006211100000000, 0.0004258300000000 ] - [ -0.0062676700000000, -0.0191015800000000, 0.0242506000000000 ] - [ -0.0062676700000000, -0.0191015800000000, -0.0242506000000000 ] - [ 0.0004077500000000, -0.0006991600000000, 0.0001162600000000 ] - [ 0.0004077500000000, -0.0006991600000000, -0.0001162600000000 ] - [ 0.0308239400000000, -0.0475249100000000, 0.0000000000000000 ] - [ 0.0014198000000000, -0.0007733000000000, -0.0029244800000000 ] - [ 0.0005991100000000, -0.0000504900000000, 0.0000000000000000 ] - [ 0.0014198000000000, -0.0007733000000000, 0.0029244800000000 ] - [ 0.0027179100000000, -0.0016678300000000, 0.0000000000000000 ] - [ 0.0010512900000000, -0.0013669600000000, 0.0018512400000000 ] - [ 0.0001025100000000, -0.0005996200000000, 0.0000000000000000 ] - [ 0.0010512900000000, -0.0013669600000000, -0.0018512400000000 ] - [ -0.0030134100000000, -0.0022004000000000, 0.0002913600000000 ] - [ -0.0030134100000000, -0.0022004000000000, -0.0002913600000000 ] - [ -0.0006844300000000, -0.0001489700000000, -0.0001852500000000 ] - [ -0.0006844300000000, -0.0001489700000000, 0.0001852500000000 ] - [ 0.0024347400000000, 0.0025155300000000, 0.0000000000000000 ] - [ 0.0000954200000000, 0.0005341800000000, -0.0003086500000000 ] - [ -0.0001843500000000, -0.0000141500000000, 0.0000000000000000 ] - [ 0.0000954200000000, 0.0005341800000000, 0.0003086500000000 ] - [ -0.0000576000000000, 0.0011759500000000, 0.0000000000000000 ] - [ 0.0001167900000000, 0.0009087100000000, -0.0000542400000000 ] - [ 0.0002784500000000, 0.0003545800000000, 0.0000000000000000 ] - [ 0.0001167900000000, 0.0009087100000000, 0.0000542400000000 ] - [ 0.0006101700000000, 0.0002745800000000, 0.0003158200000000 ] - [ 0.0006101700000000, 0.0002745800000000, -0.0003158200000000 ] - [ 0.0004314700000000, -0.0000964500000000, -0.0002441400000000 ] - [ 0.0004314700000000, -0.0000964500000000, 0.0002441400000000 ] - [ -0.0014351400000000, 0.0037715500000000, -0.0001059500000000 ] - [ -0.0014351400000000, 0.0037715500000000, 0.0001059500000000 ] - [ 0.0000735200000000, 0.0008745800000000, 0.0004549500000000 ] - [ 0.0000735200000000, 0.0008745800000000, -0.0004549500000000 ] - [ -0.0054593300000000, -0.0000297000000000, 0.0000000000000000 ] - [ -0.0003641000000000, -0.0013889400000000, 0.0026301500000000 ] - [ 0.0004262500000000, 0.0002762700000000, 0.0000000000000000 ] - [ -0.0003641000000000, -0.0013889400000000, -0.0026301500000000 ] - [ -0.0013067700000000, 0.0034772400000000, 0.0029050500000000 ] - [ -0.0013067700000000, 0.0034772400000000, -0.0029050500000000 ] - [ -0.0008432400000000, 0.0011918000000000, -0.0005847300000000 ] - [ -0.0008432400000000, 0.0011918000000000, 0.0005847300000000 ] - [ 0.0007973900000000, 0.0014531100000000, -0.0000897300000000 ] - [ 0.0007973900000000, 0.0014531100000000, 0.0000897300000000 ] - [ 0.0003868800000000, -0.0001878900000000, 0.0002786900000000 ] - [ 0.0003868800000000, -0.0001878900000000, -0.0002786900000000 ] - [ -0.0009548600000000, -0.0017662200000000, 0.0000000000000000 ] - [ -0.0007778800000000, -0.0011157400000000, -0.0003550400000000 ] - [ -0.0007706100000000, -0.0008315300000000, 0.0000000000000000 ] - [ -0.0007778800000000, -0.0011157400000000, 0.0003550400000000 ] - [ -0.0260064200000000, 0.1248574100000000, 0.0000000000000000 ] - [ -0.0008504400000000, 0.0017553200000000, -0.0000005100000000 ] - [ -0.0002493900000000, 0.0005907300000000, 0.0000000000000000 ] - [ -0.0008504400000000, 0.0017553200000000, 0.0000005100000000 ] - [ 0.0062937900000000, -0.0035709300000000, -0.0061187300000000 ] - [ 0.0062937900000000, -0.0035709300000000, 0.0061187300000000 ] - [ 0.0000577400000000, 0.0001868100000000, 0.0007773100000000 ] - [ 0.0000577400000000, 0.0001868100000000, -0.0007773100000000 ] - [ -0.0062454700000000, -0.0033600000000000, 0.0038463300000000 ] - [ -0.0062454700000000, -0.0033600000000000, -0.0038463300000000 ] - [ -0.0000588800000000, 0.0002461200000000, -0.0004950800000000 ] - [ -0.0000588800000000, 0.0002461200000000, 0.0004950800000000 ] - [ 0.0005746600000000, 0.0020042200000000, 0.0000000000000000 ] - [ 0.0001610300000000, 0.0013295400000000, 0.0002719000000000 ] - [ 0.0001168300000000, 0.0003773900000000, 0.0000000000000000 ] - [ 0.0001610300000000, 0.0013295400000000, -0.0002719000000000 ] - [ -0.0009370600000000, -0.0027534200000000, -0.0009238200000000 ] - [ -0.0009370600000000, -0.0027534200000000, 0.0009238200000000 ] - [ -0.0001437900000000, -0.0006483300000000, 0.0001535400000000 ] - [ -0.0001437900000000, -0.0006483300000000, -0.0001535400000000 ] - [ 0.0000570100000000, -0.0009987500000000, 0.0000286100000000 ] - [ 0.0000570100000000, -0.0009987500000000, -0.0000286100000000 ] - [ -0.0000136800000000, -0.0005929400000000, -0.0001190300000000 ] - [ -0.0000136800000000, -0.0005929400000000, 0.0001190300000000 ] - [ -0.0012711900000000, -0.0005071700000000, 0.0000000000000000 ] - [ -0.0004790700000000, -0.0003185900000000, 0.0004909800000000 ] - [ -0.0001321100000000, 0.0000047300000000, 0.0000000000000000 ] - [ -0.0004790700000000, -0.0003185900000000, -0.0004909800000000 ] - [ 0.0013021400000000, -0.0015587600000000, 0.0000000000000000 ] - [ 0.0010003400000000, -0.0010232100000000, -0.0010146300000000 ] - [ 0.0000339900000000, -0.0002517600000000, 0.0000000000000000 ] - [ 0.0010003400000000, -0.0010232100000000, 0.0010146300000000 ] - [ 0.0066601600000000, -0.0074986700000000, 0.0074747300000000 ] - [ 0.0066601600000000, -0.0074986700000000, -0.0074747300000000 ] - [ -0.0004579400000000, -0.0001030100000000, -0.0007687200000000 ] - [ -0.0004579400000000, -0.0001030100000000, 0.0007687200000000 ] - [ -0.0011113600000000, -0.0138575800000000, 0.0000000000000000 ] - [ -0.0000980700000000, -0.0010667300000000, 0.0014055400000000 ] - [ 0.0001780700000000, -0.0004728300000000, 0.0000000000000000 ] - [ -0.0000980700000000, -0.0010667300000000, -0.0014055400000000 ] - [ -0.0008613400000000, -0.0005519100000000, 0.0000000000000000 ] - [ -0.0008803200000000, -0.0004697900000000, -0.0006372400000000 ] - [ -0.0003272300000000, 0.0002010000000000, 0.0000000000000000 ] - [ -0.0008803200000000, -0.0004697900000000, 0.0006372400000000 ] - [ 0.0012393100000000, 0.0007071700000000, -0.0000311900000000 ] - [ 0.0012393100000000, 0.0007071700000000, 0.0000311900000000 ] - [ 0.0004625400000000, 0.0004994800000000, 0.0001012400000000 ] - [ 0.0004625400000000, 0.0004994800000000, -0.0001012400000000 ] - [ 0.0016359700000000, 0.0034020000000000, 0.0000000000000000 ] - [ 0.0002917700000000, 0.0013532400000000, 0.0000309300000000 ] - [ 0.0001155700000000, 0.0003123200000000, 0.0000000000000000 ] - [ 0.0002917700000000, 0.0013532400000000, -0.0000309300000000 ] - [ 0.0010686500000000, -0.0024136900000000, -0.0003185400000000 ] - [ 0.0010686500000000, -0.0024136900000000, 0.0003185400000000 ] - [ 0.0001667100000000, -0.0005933100000000, 0.0000766400000000 ] - [ 0.0001667100000000, -0.0005933100000000, -0.0000766400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001473500000000, -0.0001461700000000, 0.0017246600000000 ] - [ -0.0002078700000000, -0.0010224200000000, -0.0005376800000000 ] - [ -0.0001476100000000, -0.0001477700000000, -0.0006944400000000 ] - [ -0.0000868100000000, 0.0007283800000000, -0.0005419500000000 ] - [ -0.0003893500000000, -0.0005054800000000, 0.0018494300000000 ] - [ 0.0006309000000000, 0.0001660600000000, 0.0018984300000000 ] - [ 0.0005697000000000, 0.0002258300000000, -0.0009516500000000 ] - [ -0.0002722800000000, -0.0005183700000000, -0.0009498400000000 ] - [ -0.0002975600000000, 0.0001746600000000, 0.0004720200000000 ] - [ 0.0000030800000000, 0.0001206400000000, 0.0004751800000000 ] - [ -0.0000948500000000, 0.0001175200000000, -0.0004667600000000 ] - [ -0.0001989600000000, 0.0001767300000000, -0.0004674800000000 ] - [ 0.0001493000000000, 0.0001461100000000, 0.0009051900000000 ] - [ -0.0001030800000000, 0.0003661100000000, -0.0001881600000000 ] - [ 0.0001474500000000, 0.0001474500000000, -0.0005015300000000 ] - [ 0.0003990700000000, -0.0000717300000000, -0.0001903000000000 ] - [ -0.0118385400000000, -0.0197286900000000, 0.0419346700000000 ] - [ 0.0133030700000000, 0.0210710400000000, 0.0443372700000000 ] - [ -0.0001572100000000, -0.0019869100000000, -0.0039368600000000 ] - [ 0.0008459700000000, 0.0015667600000000, -0.0039283800000000 ] - [ 0.0000832900000000, 0.0005441900000000, 0.0042417600000000 ] - [ -0.0012228600000000, 0.0034695200000000, -0.0020600700000000 ] - [ 0.0001986100000000, 0.0003504900000000, -0.0017576100000000 ] - [ 0.0016067400000000, -0.0027521600000000, -0.0020597700000000 ] - [ -0.0001931800000000, -0.0003440600000000, 0.0048917300000000 ] - [ -0.0016283800000000, -0.0003070400000000, -0.0017946400000000 ] - [ -0.0002004900000000, -0.0003476500000000, -0.0015752600000000 ] - [ 0.0012319900000000, -0.0003893700000000, -0.0018037000000000 ] - [ 0.0015282900000000, 0.0009896400000000, 0.0009644600000000 ] - [ -0.0022201600000000, -0.0005881800000000, 0.0009700900000000 ] - [ -0.0007684700000000, 0.0001211900000000, -0.0009602900000000 ] - [ 0.0000720400000000, 0.0002779400000000, -0.0009623700000000 ] - [ -0.0003517100000000, -0.0002017300000000, 0.0012569100000000 ] - [ -0.0000831300000000, 0.0001790400000000, -0.0002041700000000 ] - [ -0.0003472300000000, -0.0001995000000000, -0.0008450300000000 ] - [ -0.0006119400000000, -0.0005769300000000, -0.0002071000000000 ] - [ 0.0003470900000000, 0.0002013000000000, 0.0006384900000000 ] - [ 0.0004748000000000, -0.0003880700000000, 0.0000736900000000 ] - [ 0.0003477200000000, 0.0002003400000000, -0.0007319600000000 ] - [ 0.0002201500000000, 0.0007897900000000, 0.0000718000000000 ] - [ 0.0001766700000000, -0.0005229100000000, 0.0005943600000000 ] - [ 0.0002265200000000, -0.0001707300000000, 0.0005962300000000 ] - [ 0.0001660900000000, -0.0003268500000000, -0.0005990100000000 ] - [ 0.0002361000000000, -0.0003666000000000, -0.0006004600000000 ] - [ -0.0022195700000000, 0.0025993700000000, 0.0010499600000000 ] - [ 0.0018172300000000, -0.0019019800000000, 0.0010526300000000 ] - [ 0.0001134000000000, -0.0000695300000000, -0.0008896600000000 ] - [ -0.0005124900000000, 0.0007624000000000, -0.0008917700000000 ] - [ 0.0006451700000000, 0.0006509200000000, 0.0068448400000000 ] - [ 0.0028297500000000, 0.0002199700000000, -0.0021034800000000 ] - [ 0.0006477300000000, 0.0006454200000000, -0.0018117700000000 ] - [ -0.0015305800000000, 0.0010622500000000, -0.0021113200000000 ] - [ -0.0012235900000000, -0.0000998200000000, 0.0010219600000000 ] - [ -0.0000683900000000, 0.0013910800000000, 0.0010348800000000 ] - [ -0.0005847700000000, 0.0008490400000000, -0.0009731500000000 ] - [ -0.0007084200000000, 0.0004461400000000, -0.0009743200000000 ] - [ 0.0019286300000000, 0.0006687600000000, 0.0008796900000000 ] - [ -0.0006341200000000, -0.0019606700000000, 0.0008816900000000 ] - [ 0.0004344900000000, -0.0008789000000000, -0.0008307500000000 ] - [ 0.0008579800000000, -0.0004141600000000, -0.0008331800000000 ] - [ -0.0006468900000000, -0.0006508400000000, 0.0009983800000000 ] - [ -0.0002143200000000, -0.0000313300000000, -0.0000974800000000 ] - [ -0.0006452700000000, -0.0006460700000000, -0.0008404700000000 ] - [ -0.0010754600000000, -0.0012605100000000, -0.0000999700000000 ] - [ -0.0006707000000000, -0.0019987800000000, -0.1295647600000000 ] - [ 0.0002648400000000, 0.0000316500000000, 0.0126860700000000 ] - [ -0.0000985000000000, 0.0000102400000000, 0.0039257600000000 ] - [ -0.0004687100000000, -0.0000219900000000, 0.0125061100000000 ] - [ -0.0038665200000000, 0.0027706100000000, 0.0018894600000000 ] - [ 0.0038493100000000, -0.0029756300000000, 0.0018651300000000 ] - [ 0.0004885700000000, -0.0005722600000000, 0.0016398100000000 ] - [ -0.0005015200000000, 0.0003688100000000, 0.0016409000000000 ] - [ -0.0060911700000000, -0.0054269600000000, 0.0018719300000000 ] - [ 0.0061097800000000, 0.0056569300000000, 0.0018817500000000 ] - [ 0.0007889900000000, 0.0006459700000000, 0.0016379000000000 ] - [ -0.0007668000000000, -0.0004407200000000, 0.0016400300000000 ] - [ 0.0000972700000000, -0.0000074600000000, -0.0018051600000000 ] - [ 0.0007509700000000, -0.0002795400000000, 0.0004583400000000 ] - [ 0.0000989900000000, -0.0000084600000000, 0.0010595000000000 ] - [ -0.0005534400000000, 0.0002631400000000, 0.0004623300000000 ] - [ 0.0001889900000000, -0.0009102500000000, -0.0007807400000000 ] - [ 0.0000114000000000, 0.0009321900000000, -0.0007872900000000 ] - [ -0.0000023200000000, 0.0001624200000000, 0.0007381200000000 ] - [ 0.0002011400000000, -0.0001439300000000, 0.0007393700000000 ] - [ -0.0001966400000000, -0.0000384400000000, -0.0006477000000000 ] - [ -0.0000043500000000, 0.0000200700000000, -0.0006485900000000 ] - [ -0.0000896800000000, 0.0001089900000000, 0.0006902200000000 ] - [ -0.0001122300000000, -0.0001277300000000, 0.0006916100000000 ] - [ -0.0000081100000000, 0.0000989800000000, -0.0012334800000000 ] - [ -0.0004999400000000, -0.0003634100000000, 0.0002921100000000 ] - [ -0.0000092900000000, 0.0000994800000000, 0.0008177800000000 ] - [ 0.0004800400000000, 0.0005603500000000, 0.0002925800000000 ] - [ 0.0000096100000000, -0.0001018200000000, -0.0021907500000000 ] - [ -0.0010076500000000, 0.0006871100000000, 0.0007463300000000 ] - [ 0.0000083300000000, -0.0000982400000000, 0.0011378700000000 ] - [ 0.0010248700000000, -0.0008862500000000, 0.0007486300000000 ] - [ 0.0071658700000000, -0.0084744800000000, 0.0015401500000000 ] - [ -0.0078379000000000, 0.0078881700000000, 0.0015407900000000 ] - [ -0.0010854100000000, 0.0004814100000000, 0.0018780800000000 ] - [ 0.0004416700000000, -0.0011129300000000, 0.0018787900000000 ] - [ 0.0003209400000000, -0.0002953800000000, -0.0029059100000000 ] - [ 0.0001557100000000, -0.0015709200000000, 0.0004013800000000 ] - [ 0.0003206700000000, -0.0003220400000000, 0.0010839000000000 ] - [ 0.0004879900000000, 0.0009231300000000, 0.0004045100000000 ] - [ -0.0003216400000000, 0.0003167200000000, -0.0018899800000000 ] - [ 0.0005132700000000, 0.0010975200000000, 0.0006122500000000 ] - [ -0.0003200200000000, 0.0003202200000000, 0.0010650800000000 ] - [ -0.0011535600000000, -0.0004593400000000, 0.0006144400000000 ] - [ -0.0001736900000000, 0.0004111100000000, -0.0007375100000000 ] - [ 0.0008123600000000, 0.0002310300000000, -0.0007397800000000 ] - [ 0.0004105900000000, 0.0001789800000000, 0.0007112000000000 ] - [ 0.0002287200000000, 0.0004613700000000, 0.0007125700000000 ] - [ 0.0000099200000000, 0.0000044000000000, -0.0019869500000000 ] - [ -0.0013032600000000, -0.0003103600000000, 0.0004635200000000 ] - [ -0.0000011500000000, 0.0000003000000000, 0.0008414900000000 ] - [ 0.0012981300000000, 0.0003120800000000, 0.0004647400000000 ] - [ 0.0000402000000000, -0.0002857400000000, -0.0005579500000000 ] - [ -0.0000418500000000, 0.0002873800000000, -0.0005604900000000 ] - [ 0.0000906200000000, 0.0000406500000000, 0.0005382600000000 ] - [ -0.0000898300000000, -0.0000413300000000, 0.0005395800000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003321400000000, -0.0017484700000000, -0.0013617600000000 ] - [ 0.0000753600000000, -0.0002398400000000, -0.0002568100000000 ] - [ 0.0000753600000000, -0.0002398400000000, 0.0002568100000000 ] - [ 0.0003321400000000, -0.0017484700000000, 0.0013617600000000 ] - [ 0.0018502400000000, -0.0003573700000000, 0.0000000000000000 ] - [ 0.0010365900000000, -0.0002304800000000, 0.0000396500000000 ] - [ 0.0003642100000000, -0.0001264300000000, 0.0000000000000000 ] - [ 0.0010365900000000, -0.0002304800000000, -0.0000396500000000 ] - [ -0.0036651500000000, -0.0002414400000000, 0.0000000000000000 ] - [ -0.0008790800000000, 0.0000044600000000, 0.0005759800000000 ] - [ -0.0003285800000000, 0.0000959900000000, 0.0000000000000000 ] - [ -0.0008790800000000, 0.0000044600000000, -0.0005759800000000 ] - [ -0.0004021500000000, 0.0002064200000000, -0.0000616800000000 ] - [ -0.0001056400000000, 0.0001875900000000, -0.0000170000000000 ] - [ -0.0001056400000000, 0.0001875900000000, 0.0000170000000000 ] - [ -0.0004021500000000, 0.0002064200000000, 0.0000616800000000 ] - [ 0.0271340300000000, -0.0115630100000000, 0.0000000000000000 ] - [ 0.0008959000000000, -0.0015065200000000, -0.0025885400000000 ] - [ 0.0005590700000000, -0.0005874500000000, 0.0000000000000000 ] - [ 0.0008959000000000, -0.0015065200000000, 0.0025885400000000 ] - [ -0.0011873900000000, 0.0028114200000000, -0.0001596700000000 ] - [ 0.0003042300000000, 0.0006019000000000, -0.0004600800000000 ] - [ 0.0003042300000000, 0.0006019000000000, 0.0004600800000000 ] - [ -0.0011873900000000, 0.0028114200000000, 0.0001596700000000 ] - [ -0.0027738500000000, -0.0000631200000000, -0.0029915500000000 ] - [ -0.0007912400000000, -0.0003076000000000, -0.0004912900000000 ] - [ -0.0007912400000000, -0.0003076000000000, 0.0004912900000000 ] - [ -0.0027738500000000, -0.0000631200000000, 0.0029915500000000 ] - [ -0.0019664400000000, 0.0007806300000000, 0.0000000000000000 ] - [ -0.0012497100000000, 0.0003918300000000, -0.0002796500000000 ] - [ -0.0006305200000000, 0.0002756700000000, 0.0000000000000000 ] - [ -0.0012497100000000, 0.0003918300000000, 0.0002796500000000 ] - [ 0.0007528300000000, 0.0003987600000000, 0.0002484800000000 ] - [ -0.0000694800000000, -0.0000256400000000, 0.0001000600000000 ] - [ -0.0000694800000000, -0.0000256400000000, -0.0001000600000000 ] - [ 0.0007528300000000, 0.0003987600000000, -0.0002484800000000 ] - [ -0.0032464900000000, 0.0014323500000000, -0.0000835000000000 ] - [ -0.0001137200000000, 0.0000699400000000, 0.0004943100000000 ] - [ -0.0001137200000000, 0.0000699400000000, -0.0004943100000000 ] - [ -0.0032464900000000, 0.0014323500000000, 0.0000835000000000 ] - [ 0.0001830700000000, 0.0000492400000000, 0.0000000000000000 ] - [ 0.0002897700000000, -0.0001240900000000, 0.0003244300000000 ] - [ 0.0001428100000000, -0.0002861500000000, 0.0000000000000000 ] - [ 0.0002897700000000, -0.0001240900000000, -0.0003244300000000 ] - [ 0.0134636800000000, -0.0161802700000000, 0.0000000000000000 ] - [ 0.0022545100000000, 0.0005597200000000, 0.0024143500000000 ] - [ 0.0003024900000000, 0.0004077400000000, 0.0000000000000000 ] - [ 0.0022545100000000, 0.0005597200000000, -0.0024143500000000 ] - [ 0.0150357900000000, 0.0071659100000000, -0.0160661000000000 ] - [ 0.0011957900000000, 0.0005178100000000, 0.0000888000000000 ] - [ 0.0011957900000000, 0.0005178100000000, -0.0000888000000000 ] - [ 0.0150357900000000, 0.0071659100000000, 0.0160661000000000 ] - [ 0.0002149000000000, 0.0007381300000000, 0.0000000000000000 ] - [ -0.0001882400000000, 0.0007823900000000, -0.0003503700000000 ] - [ -0.0005124500000000, 0.0007550000000000, 0.0000000000000000 ] - [ -0.0001882400000000, 0.0007823900000000, 0.0003503700000000 ] - [ -0.0016633200000000, -0.0023962200000000, 0.0000000000000000 ] - [ -0.0002354700000000, -0.0009659900000000, -0.0002797200000000 ] - [ 0.0004028400000000, -0.0007522000000000, 0.0000000000000000 ] - [ -0.0002354700000000, -0.0009659900000000, 0.0002797200000000 ] - [ -0.0029044000000000, -0.0019112500000000, -0.0001546200000000 ] - [ -0.0008673200000000, -0.0006450600000000, 0.0003548800000000 ] - [ -0.0008673200000000, -0.0006450600000000, -0.0003548800000000 ] - [ -0.0029044000000000, -0.0019112500000000, 0.0001546200000000 ] - [ 0.0006895900000000, -0.0070397600000000, 0.0075233000000000 ] - [ -0.0004819500000000, 0.0001335500000000, 0.0007636200000000 ] - [ -0.0004819500000000, 0.0001335500000000, -0.0007636200000000 ] - [ 0.0006895900000000, -0.0070397600000000, -0.0075233000000000 ] - [ 0.0008724400000000, -0.0009436400000000, 0.0000000000000000 ] - [ 0.0007936100000000, -0.0006179800000000, 0.0007781600000000 ] - [ 0.0001242500000000, -0.0001838000000000, 0.0000000000000000 ] - [ 0.0007936100000000, -0.0006179800000000, -0.0007781600000000 ] - [ 0.0135289900000000, 0.0007613300000000, 0.0000000000000000 ] - [ 0.0007403800000000, 0.0003207700000000, 0.0012498200000000 ] - [ 0.0001475400000000, 0.0002019800000000, 0.0000000000000000 ] - [ 0.0007403800000000, 0.0003207700000000, -0.0012498200000000 ] - [ 0.0019195300000000, -0.0009150700000000, 0.0004956800000000 ] - [ 0.0005905400000000, -0.0001376900000000, 0.0000914500000000 ] - [ 0.0005905400000000, -0.0001376900000000, -0.0000914500000000 ] - [ 0.0019195300000000, -0.0009150700000000, -0.0004956800000000 ] - [ -0.0019675000000000, -0.0014482600000000, 0.0000000000000000 ] - [ -0.0010739800000000, -0.0004275300000000, -0.0001656400000000 ] - [ -0.0002112700000000, -0.0001502100000000, 0.0000000000000000 ] - [ -0.0010739800000000, -0.0004275300000000, 0.0001656400000000 ] - [ 0.0014648400000000, -0.0005327100000000, 0.0000000000000000 ] - [ 0.0010109200000000, -0.0005523700000000, -0.0008324000000000 ] - [ 0.0001369400000000, 0.0000035200000000, 0.0000000000000000 ] - [ 0.0010109200000000, -0.0005523700000000, 0.0008324000000000 ] - [ -0.0003780100000000, 0.0003579000000000, -0.0000907100000000 ] - [ -0.0001743700000000, 0.0000571700000000, -0.0001412500000000 ] - [ -0.0001743700000000, 0.0000571700000000, 0.0001412500000000 ] - [ -0.0003780100000000, 0.0003579000000000, 0.0000907100000000 ] - [ 0.0071795800000000, -0.0058628400000000, -0.0081329400000000 ] - [ -0.0002230800000000, -0.0000117600000000, -0.0007958100000000 ] - [ -0.0002230800000000, -0.0000117600000000, 0.0007958100000000 ] - [ 0.0071795800000000, -0.0058628400000000, 0.0081329400000000 ] - [ -0.0978916600000000, 0.0292698000000000, 0.0000000000000000 ] - [ -0.0024129200000000, 0.0008847800000000, -0.0000767600000000 ] - [ -0.0008734700000000, -0.0000588800000000, 0.0000000000000000 ] - [ -0.0024129200000000, 0.0008847800000000, 0.0000767600000000 ] - [ -0.0004744700000000, -0.0014627300000000, 0.0000438200000000 ] - [ -0.0000399200000000, -0.0005556100000000, 0.0001137900000000 ] - [ -0.0000399200000000, -0.0005556100000000, -0.0001137900000000 ] - [ -0.0004744700000000, -0.0014627300000000, -0.0000438200000000 ] - [ 0.0022821500000000, 0.0014640400000000, 0.0008115800000000 ] - [ 0.0003031700000000, 0.0005557200000000, 0.0001105000000000 ] - [ 0.0003031700000000, 0.0005557200000000, -0.0001105000000000 ] - [ 0.0022821500000000, 0.0014640400000000, -0.0008115800000000 ] - [ 0.0015853200000000, 0.0004511400000000, 0.0000000000000000 ] - [ 0.0013650600000000, 0.0005137100000000, -0.0005573600000000 ] - [ 0.0005722700000000, 0.0002401100000000, 0.0000000000000000 ] - [ 0.0013650600000000, 0.0005137100000000, 0.0005573600000000 ] - [ 0.0038778700000000, 0.0058424000000000, -0.0025811900000000 ] - [ -0.0002101800000000, 0.0000504400000000, -0.0003485800000000 ] - [ -0.0002101800000000, 0.0000504400000000, 0.0003485800000000 ] - [ 0.0038778700000000, 0.0058424000000000, 0.0025811900000000 ] - [ 0.0006566100000000, 0.0010259500000000, 0.0000000000000000 ] - [ 0.0005246600000000, 0.0004065000000000, 0.0005405600000000 ] - [ 0.0000699600000000, 0.0000196300000000, 0.0000000000000000 ] - [ 0.0005246600000000, 0.0004065000000000, -0.0005405600000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005970100000000, 0.0014748600000000, 0.0013837800000000 ] - [ -0.0003667800000000, -0.0000540600000000, 0.0002559600000000 ] - [ -0.0003667800000000, -0.0000540600000000, -0.0002559600000000 ] - [ -0.0005970100000000, 0.0014748600000000, -0.0013837800000000 ] - [ -0.0015562300000000, 0.0000529900000000, 0.0000000000000000 ] - [ -0.0007422900000000, -0.0000670600000000, -0.0000380300000000 ] - [ -0.0000699200000000, -0.0001694000000000, 0.0000000000000000 ] - [ -0.0007422900000000, -0.0000670600000000, 0.0000380300000000 ] - [ 0.0033919900000000, 0.0005415000000000, 0.0000000000000000 ] - [ 0.0005823700000000, 0.0002916100000000, -0.0005769200000000 ] - [ 0.0000338700000000, 0.0001990000000000, 0.0000000000000000 ] - [ 0.0005823700000000, 0.0002916100000000, 0.0005769200000000 ] - [ 0.0006970100000000, 0.0000860200000000, 0.0000613700000000 ] - [ 0.0004007300000000, 0.0001062000000000, 0.0000168600000000 ] - [ 0.0004007300000000, 0.0001062000000000, -0.0000168600000000 ] - [ 0.0006970100000000, 0.0000860200000000, -0.0000613700000000 ] - [ -0.0248255100000000, 0.0098342400000000, 0.0000000000000000 ] - [ -0.0001903500000000, 0.0011075300000000, 0.0025876600000000 ] - [ 0.0001389000000000, 0.0001875400000000, 0.0000000000000000 ] - [ -0.0001903500000000, 0.0011075300000000, -0.0025876600000000 ] - [ 0.0015898100000000, -0.0021229300000000, 0.0001612100000000 ] - [ 0.0000966100000000, 0.0000911100000000, 0.0004595500000000 ] - [ 0.0000966100000000, 0.0000911100000000, -0.0004595500000000 ] - [ 0.0015898100000000, -0.0021229300000000, -0.0001612100000000 ] - [ 0.0023704800000000, -0.0006245600000000, 0.0029757000000000 ] - [ 0.0003918900000000, -0.0003854100000000, 0.0004897500000000 ] - [ 0.0003918900000000, -0.0003854100000000, -0.0004897500000000 ] - [ 0.0023704800000000, -0.0006245600000000, -0.0029757000000000 ] - [ 0.0012737800000000, -0.0003748900000000, 0.0000000000000000 ] - [ 0.0005569000000000, 0.0000094500000000, 0.0002776600000000 ] - [ -0.0000622400000000, 0.0001241900000000, 0.0000000000000000 ] - [ 0.0005569000000000, 0.0000094500000000, -0.0002776600000000 ] - [ -0.0014490700000000, -0.0007947400000000, -0.0002366800000000 ] - [ -0.0006242900000000, -0.0003734000000000, -0.0001001500000000 ] - [ -0.0006242900000000, -0.0003734000000000, 0.0001001500000000 ] - [ -0.0014490700000000, -0.0007947400000000, 0.0002366800000000 ] - [ 0.0039402100000000, -0.0010345400000000, 0.0000862400000000 ] - [ 0.0008074000000000, 0.0003303400000000, -0.0004968800000000 ] - [ 0.0008074000000000, 0.0003303400000000, 0.0004968800000000 ] - [ 0.0039402100000000, -0.0010345400000000, -0.0000862400000000 ] - [ 0.0002141600000000, -0.0007436900000000, 0.0000000000000000 ] - [ 0.0001092300000000, -0.0005719700000000, -0.0003237600000000 ] - [ 0.0002573700000000, -0.0004076100000000, 0.0000000000000000 ] - [ 0.0001092300000000, -0.0005719700000000, 0.0003237600000000 ] - [ -0.0141326900000000, 0.0176290700000000, 0.0000000000000000 ] - [ -0.0026656400000000, 0.0001436700000000, -0.0024162400000000 ] - [ -0.0007037000000000, 0.0002880500000000, 0.0000000000000000 ] - [ -0.0026656400000000, 0.0001436700000000, 0.0024162400000000 ] - [ -0.0136538500000000, -0.0059959900000000, 0.0164411000000000 ] - [ 0.0000922300000000, 0.0007709300000000, -0.0000813200000000 ] - [ 0.0000922300000000, 0.0007709300000000, 0.0000813200000000 ] - [ -0.0136538500000000, -0.0059959900000000, -0.0164411000000000 ] - [ -0.0014957800000000, 0.0005529900000000, 0.0000000000000000 ] - [ -0.0011015400000000, 0.0005070800000000, 0.0003513300000000 ] - [ -0.0007792600000000, 0.0005375500000000, 0.0000000000000000 ] - [ -0.0011015400000000, 0.0005070800000000, -0.0003513300000000 ] - [ 0.0029500800000000, 0.0010914600000000, 0.0000000000000000 ] - [ 0.0015289400000000, -0.0003270100000000, 0.0002759100000000 ] - [ 0.0008912100000000, -0.0005410500000000, 0.0000000000000000 ] - [ 0.0015289400000000, -0.0003270100000000, -0.0002759100000000 ] - [ 0.0016083400000000, 0.0006144800000000, 0.0001527900000000 ] - [ -0.0004260400000000, -0.0006494200000000, -0.0003550500000000 ] - [ -0.0004260400000000, -0.0006494200000000, 0.0003550500000000 ] - [ 0.0016083400000000, 0.0006144800000000, -0.0001527900000000 ] - [ -0.0009023900000000, 0.0070119200000000, -0.0074791200000000 ] - [ 0.0002878300000000, -0.0001132300000000, -0.0007631500000000 ] - [ 0.0002878300000000, -0.0001132300000000, 0.0007631500000000 ] - [ -0.0009023900000000, 0.0070119200000000, 0.0074791200000000 ] - [ -0.0008935400000000, 0.0007524300000000, 0.0000000000000000 ] - [ -0.0008121300000000, 0.0004258400000000, -0.0007788600000000 ] - [ -0.0001412200000000, -0.0000075600000000, 0.0000000000000000 ] - [ -0.0008121300000000, 0.0004258400000000, 0.0007788600000000 ] - [ -0.0133511700000000, -0.0005596700000000, 0.0000000000000000 ] - [ -0.0007244400000000, -0.0001311100000000, -0.0012435000000000 ] - [ -0.0001307100000000, -0.0000081700000000, 0.0000000000000000 ] - [ -0.0007244400000000, -0.0001311100000000, 0.0012435000000000 ] - [ -0.0017238000000000, 0.0008913500000000, -0.0004914400000000 ] - [ -0.0003974600000000, 0.0001207900000000, -0.0000895400000000 ] - [ -0.0003974600000000, 0.0001207900000000, 0.0000895400000000 ] - [ -0.0017238000000000, 0.0008913500000000, 0.0004914400000000 ] - [ 0.0021307500000000, 0.0014109200000000, 0.0000000000000000 ] - [ 0.0012667500000000, 0.0004455700000000, 0.0001664300000000 ] - [ 0.0004040100000000, 0.0001663000000000, 0.0000000000000000 ] - [ 0.0012667500000000, 0.0004455700000000, -0.0001664300000000 ] - [ -0.0016547300000000, 0.0005184600000000, 0.0000000000000000 ] - [ -0.0012025100000000, 0.0005392800000000, 0.0008353300000000 ] - [ -0.0003270100000000, -0.0000200100000000, 0.0000000000000000 ] - [ -0.0012025100000000, 0.0005392800000000, -0.0008353300000000 ] - [ 0.0003653000000000, -0.0001673700000000, 0.0000889100000000 ] - [ 0.0001584400000000, 0.0001369900000000, 0.0001423200000000 ] - [ 0.0001584400000000, 0.0001369900000000, -0.0001423200000000 ] - [ 0.0003653000000000, -0.0001673700000000, -0.0000889100000000 ] - [ -0.0072066800000000, 0.0057331300000000, 0.0082299000000000 ] - [ 0.0002457900000000, -0.0001843200000000, 0.0007993600000000 ] - [ 0.0002457900000000, -0.0001843200000000, -0.0007993600000000 ] - [ -0.0072066800000000, 0.0057331300000000, -0.0082299000000000 ] - [ 0.0956242400000000, -0.0290210000000000, 0.0000000000000000 ] - [ 0.0017718300000000, -0.0015316200000000, 0.0000386200000000 ] - [ 0.0002394300000000, -0.0005746500000000, 0.0000000000000000 ] - [ 0.0017718300000000, -0.0015316200000000, -0.0000386200000000 ] - [ 0.0011053500000000, 0.0008258500000000, -0.0000481700000000 ] - [ 0.0006738400000000, -0.0000775600000000, -0.0001134300000000 ] - [ 0.0006738400000000, -0.0000775600000000, 0.0001134300000000 ] - [ 0.0011053500000000, 0.0008258500000000, 0.0000481700000000 ] - [ -0.0029100600000000, -0.0008242700000000, -0.0008036800000000 ] - [ -0.0009376900000000, 0.0000762400000000, -0.0001084300000000 ] - [ -0.0009376900000000, 0.0000762400000000, 0.0001084300000000 ] - [ -0.0029100600000000, -0.0008242700000000, 0.0008036800000000 ] - [ -0.0009486600000000, 0.0001826000000000, 0.0000000000000000 ] - [ -0.0007283400000000, 0.0001198500000000, 0.0005588900000000 ] - [ 0.0000649100000000, 0.0003945200000000, 0.0000000000000000 ] - [ -0.0007283400000000, 0.0001198500000000, -0.0005588900000000 ] - [ -0.0038831700000000, -0.0058778200000000, 0.0025940000000000 ] - [ 0.0002135300000000, -0.0000483200000000, 0.0003476800000000 ] - [ 0.0002135300000000, -0.0000483200000000, -0.0003476800000000 ] - [ -0.0038831700000000, -0.0058778200000000, -0.0025940000000000 ] - [ -0.0006573600000000, -0.0010159600000000, 0.0000000000000000 ] - [ -0.0005228500000000, -0.0004029500000000, -0.0005370000000000 ] - [ -0.0000698300000000, -0.0000210200000000, 0.0000000000000000 ] - [ -0.0005228500000000, -0.0004029500000000, 0.0005370000000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0012280000000000, -0.0012280000000000, 0.0010883000000000 ] - [ -0.0005260300000000, -0.0005260300000000, -0.0008593200000000 ] - [ 0.0002302100000000, 0.0002302100000000, -0.0008581200000000 ] - [ 0.0009585200000000, 0.0009585200000000, 0.0010585900000000 ] - [ 0.0001482500000000, -0.0001484900000000, 0.0020925200000000 ] - [ 0.0001446000000000, 0.0007318400000000, -0.0005233700000000 ] - [ 0.0001472800000000, -0.0001462800000000, -0.0007367300000000 ] - [ 0.0001515100000000, -0.0010267800000000, -0.0005279200000000 ] - [ -0.0001484900000000, 0.0001482500000000, 0.0020925200000000 ] - [ 0.0007318400000000, 0.0001446000000000, -0.0005233700000000 ] - [ -0.0001462800000000, 0.0001472800000000, -0.0007367300000000 ] - [ -0.0010267800000000, 0.0001515100000000, -0.0005279200000000 ] - [ 0.0001393900000000, 0.0001393900000000, 0.0003760600000000 ] - [ 0.0001514500000000, 0.0001514500000000, -0.0003690000000000 ] - [ 0.0001410900000000, 0.0001410900000000, -0.0003698100000000 ] - [ 0.0001528400000000, 0.0001528400000000, 0.0003751500000000 ] - [ 0.0002251100000000, -0.0001432700000000, 0.0065709800000000 ] - [ -0.0025502600000000, 0.0007920800000000, -0.0022033800000000 ] - [ 0.0003443700000000, -0.0001981400000000, -0.0018324000000000 ] - [ 0.0032243900000000, -0.0011736400000000, -0.0022051600000000 ] - [ -0.0015070300000000, 0.0029156400000000, 0.0011102800000000 ] - [ -0.0001366000000000, 0.0008227000000000, -0.0008953300000000 ] - [ 0.0005337000000000, -0.0001268100000000, -0.0008971500000000 ] - [ 0.0019088500000000, -0.0022237200000000, 0.0011090800000000 ] - [ -0.0004801000000000, -0.0004403700000000, 0.0010350000000000 ] - [ -0.0003480300000000, -0.0003388700000000, -0.0009765500000000 ] - [ -0.0000536600000000, -0.0003533800000000, -0.0009771400000000 ] - [ 0.0000805800000000, -0.0002510000000000, 0.0010223800000000 ] - [ -0.0003478700000000, 0.0001989400000000, 0.0011373000000000 ] - [ -0.0004721800000000, -0.0000314100000000, -0.0001472700000000 ] - [ -0.0003477500000000, 0.0001993700000000, -0.0008439700000000 ] - [ -0.0002240300000000, 0.0004308500000000, -0.0001506100000000 ] - [ -0.0004403700000000, -0.0004801000000000, 0.0010350000000000 ] - [ -0.0003388700000000, -0.0003480300000000, -0.0009765500000000 ] - [ -0.0003533800000000, -0.0000536600000000, -0.0009771400000000 ] - [ -0.0002510000000000, 0.0000805800000000, 0.0010223800000000 ] - [ 0.0029156400000000, -0.0015070300000000, 0.0011102800000000 ] - [ 0.0008227000000000, -0.0001366000000000, -0.0008953300000000 ] - [ -0.0001268100000000, 0.0005337000000000, -0.0008971500000000 ] - [ -0.0022237200000000, 0.0019088500000000, 0.0011090800000000 ] - [ 0.0001989400000000, -0.0003478700000000, 0.0011373000000000 ] - [ -0.0000314100000000, -0.0004721800000000, -0.0001472700000000 ] - [ 0.0001993700000000, -0.0003477500000000, -0.0008439700000000 ] - [ 0.0004308500000000, -0.0002240300000000, -0.0001506100000000 ] - [ -0.0001432700000000, 0.0002251100000000, 0.0065709800000000 ] - [ 0.0007920800000000, -0.0025502600000000, -0.0022033800000000 ] - [ -0.0001981400000000, 0.0003443700000000, -0.0018324000000000 ] - [ -0.0011736400000000, 0.0032243900000000, -0.0022051600000000 ] - [ -0.0170255200000000, -0.0170255200000000, 0.0356992600000000 ] - [ 0.0018024400000000, 0.0018024400000000, -0.0040796800000000 ] - [ -0.0004972500000000, -0.0004972500000000, -0.0040693600000000 ] - [ 0.0170366400000000, 0.0170366400000000, 0.0335968500000000 ] - [ -0.0006433300000000, 0.0006458500000000, 0.0012057700000000 ] - [ -0.0006747000000000, 0.0003824600000000, -0.0001597000000000 ] - [ -0.0006459700000000, 0.0006454800000000, -0.0008891400000000 ] - [ -0.0006175500000000, 0.0009062900000000, -0.0001625000000000 ] - [ 0.0006458500000000, -0.0006433300000000, 0.0012057700000000 ] - [ 0.0003824600000000, -0.0006747000000000, -0.0001597000000000 ] - [ 0.0006454800000000, -0.0006459700000000, -0.0008891400000000 ] - [ 0.0009062900000000, -0.0006175500000000, -0.0001625000000000 ] - [ 0.0013751900000000, 0.0013751900000000, 0.0012287200000000 ] - [ -0.0002239800000000, -0.0002239800000000, -0.0009143700000000 ] - [ -0.0010671100000000, -0.0010671100000000, -0.0009177700000000 ] - [ -0.0026772300000000, -0.0026772300000000, 0.0012259800000000 ] - [ 0.0059510100000000, -0.0075441300000000, 0.0015339800000000 ] - [ 0.0005513100000000, -0.0007641600000000, 0.0018789500000000 ] - [ -0.0007427800000000, 0.0007735100000000, 0.0018781900000000 ] - [ -0.0061049300000000, 0.0075126200000000, 0.0015458300000000 ] - [ -0.0000071800000000, -0.0000981800000000, -0.0018898100000000 ] - [ 0.0006307800000000, -0.0007482000000000, 0.0006129200000000 ] - [ -0.0000072500000000, -0.0000984800000000, 0.0010648900000000 ] - [ -0.0006467800000000, 0.0005516800000000, 0.0006152000000000 ] - [ -0.0000117300000000, 0.0000973100000000, -0.0029061700000000 ] - [ 0.0014149900000000, 0.0003073900000000, 0.0003997800000000 ] - [ 0.0000096700000000, 0.0000977900000000, 0.0010838700000000 ] - [ -0.0013896900000000, -0.0001115800000000, 0.0004037300000000 ] - [ -0.0003321400000000, -0.0000408800000000, -0.0007405500000000 ] - [ 0.0000274300000000, -0.0001114800000000, 0.0007110900000000 ] - [ 0.0001707100000000, 0.0000914500000000, 0.0007120400000000 ] - [ 0.0005320400000000, 0.0000241100000000, -0.0007368900000000 ] - [ 0.0000973100000000, -0.0000117300000000, -0.0029061700000000 ] - [ 0.0003073900000000, 0.0014149900000000, 0.0003997800000000 ] - [ 0.0000977900000000, 0.0000096700000000, 0.0010838700000000 ] - [ -0.0001115800000000, -0.0013896900000000, 0.0004037300000000 ] - [ -0.0000981800000000, -0.0000071800000000, -0.0018898100000000 ] - [ -0.0007482000000000, 0.0006307800000000, 0.0006129200000000 ] - [ -0.0000984800000000, -0.0000072500000000, 0.0010648900000000 ] - [ 0.0005516800000000, -0.0006467800000000, 0.0006152000000000 ] - [ -0.0000408800000000, -0.0003321400000000, -0.0007405500000000 ] - [ -0.0001114800000000, 0.0000274300000000, 0.0007110900000000 ] - [ 0.0000914500000000, 0.0001707100000000, 0.0007120400000000 ] - [ 0.0000241100000000, 0.0005320400000000, -0.0007368900000000 ] - [ -0.0075441300000000, 0.0059510100000000, 0.0015339800000000 ] - [ -0.0007641600000000, 0.0005513100000000, 0.0018789500000000 ] - [ 0.0007735100000000, -0.0007427800000000, 0.0018781900000000 ] - [ 0.0075126200000000, -0.0061049300000000, 0.0015458300000000 ] - [ 0.0009883000000000, 0.0009883000000000, -0.1138812700000000 ] - [ -0.0002546800000000, -0.0002546800000000, 0.0130224200000000 ] - [ -0.0003191000000000, -0.0003191000000000, 0.0039312500000000 ] - [ -0.0003708800000000, -0.0003708800000000, 0.0128430600000000 ] - [ 0.0003625900000000, -0.0011265000000000, -0.0008132900000000 ] - [ 0.0004325900000000, -0.0004271600000000, 0.0007673100000000 ] - [ 0.0002047700000000, -0.0002086400000000, 0.0007694100000000 ] - [ 0.0002713100000000, 0.0004885000000000, -0.0008095300000000 ] - [ -0.0011265000000000, 0.0003625900000000, -0.0008132900000000 ] - [ -0.0004271600000000, 0.0004325900000000, 0.0007673100000000 ] - [ -0.0002086400000000, 0.0002047700000000, 0.0007694100000000 ] - [ 0.0004885000000000, 0.0002713100000000, -0.0008095300000000 ] - [ 0.0003209900000000, 0.0003209900000000, -0.0014099700000000 ] - [ -0.0002383700000000, -0.0002383700000000, 0.0005892300000000 ] - [ 0.0003190500000000, 0.0003190500000000, 0.0010408100000000 ] - [ 0.0008774700000000, 0.0008774700000000, 0.0005936800000000 ] - [ -0.0050103200000000, -0.0050103200000000, 0.0019297900000000 ] - [ -0.0006349300000000, -0.0006349300000000, 0.0012654900000000 ] - [ 0.0006299300000000, 0.0006299300000000, 0.0012677600000000 ] - [ 0.0050342200000000, 0.0050342200000000, 0.0019077800000000 ] - [ 0.0000012900000000, 0.0000012900000000, -0.0011200400000000 ] - [ 0.0004197300000000, 0.0004197300000000, 0.0003329300000000 ] - [ 0.0000007100000000, 0.0000007100000000, 0.0006717600000000 ] - [ -0.0004166800000000, -0.0004166800000000, 0.0003319800000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009474100000000, -0.0008010800000000, 0.0000000000000000 ] - [ -0.0005772200000000, -0.0004744400000000, -0.0003174900000000 ] - [ -0.0002541000000000, -0.0002121600000000, 0.0000000000000000 ] - [ -0.0005772200000000, -0.0004744400000000, 0.0003174900000000 ] - [ 0.0041793400000000, -0.0009355600000000, -0.0013200400000000 ] - [ 0.0041793400000000, -0.0009355600000000, 0.0013200400000000 ] - [ 0.0003684100000000, -0.0000513000000000, -0.0003694600000000 ] - [ 0.0003684100000000, -0.0000513000000000, 0.0003694600000000 ] - [ 0.0038103200000000, -0.0005477000000000, 0.0012199100000000 ] - [ 0.0038103200000000, -0.0005477000000000, -0.0012199100000000 ] - [ 0.0000714400000000, 0.0002450000000000, 0.0003698600000000 ] - [ 0.0000714400000000, 0.0002450000000000, -0.0003698600000000 ] - [ -0.0006558600000000, -0.0005070100000000, 0.0000000000000000 ] - [ -0.0002841700000000, -0.0001796100000000, 0.0003173900000000 ] - [ 0.0000405600000000, 0.0000824000000000, 0.0000000000000000 ] - [ -0.0002841700000000, -0.0001796100000000, -0.0003173900000000 ] - [ -0.0028673800000000, -0.0007462300000000, 0.0021339100000000 ] - [ -0.0028673800000000, -0.0007462300000000, -0.0021339100000000 ] - [ -0.0000901000000000, -0.0005022100000000, -0.0005406400000000 ] - [ -0.0000901000000000, -0.0005022100000000, 0.0005406400000000 ] - [ -0.0025466600000000, 0.0030192900000000, 0.0000000000000000 ] - [ -0.0007839400000000, 0.0008406800000000, -0.0000985900000000 ] - [ -0.0000409900000000, 0.0005054700000000, 0.0000000000000000 ] - [ -0.0007839400000000, 0.0008406800000000, 0.0000985900000000 ] - [ -0.0029481300000000, 0.0023080400000000, 0.0000000000000000 ] - [ -0.0011860100000000, 0.0001456700000000, 0.0000948100000000 ] - [ -0.0004425400000000, -0.0001897200000000, 0.0000000000000000 ] - [ -0.0011860100000000, 0.0001456700000000, -0.0000948100000000 ] - [ -0.0035627500000000, -0.0003383000000000, -0.0021213700000000 ] - [ -0.0035627500000000, -0.0003383000000000, 0.0021213700000000 ] - [ -0.0007859700000000, -0.0001008300000000, 0.0005392200000000 ] - [ -0.0007859700000000, -0.0001008300000000, -0.0005392200000000 ] - [ 0.0010743200000000, -0.0004396400000000, 0.0000000000000000 ] - [ 0.0001644100000000, -0.0002557500000000, -0.0003304400000000 ] - [ -0.0001623700000000, -0.0003436900000000, 0.0000000000000000 ] - [ 0.0001644100000000, -0.0002557500000000, 0.0003304400000000 ] - [ 0.0017575600000000, -0.0000366200000000, 0.0000000000000000 ] - [ 0.0008567200000000, 0.0001433200000000, 0.0003312900000000 ] - [ 0.0005318700000000, 0.0000573600000000, 0.0000000000000000 ] - [ 0.0008567200000000, 0.0001433200000000, -0.0003312900000000 ] - [ 0.0018420900000000, -0.0025810800000000, -0.0005918500000000 ] - [ 0.0018420900000000, -0.0025810800000000, 0.0005918500000000 ] - [ 0.0003978700000000, -0.0006132400000000, 0.0001431400000000 ] - [ 0.0003978700000000, -0.0006132400000000, -0.0001431400000000 ] - [ 0.0014486300000000, -0.0018852100000000, 0.0005824500000000 ] - [ 0.0014486300000000, -0.0018852100000000, -0.0005824500000000 ] - [ -0.0000019000000000, 0.0000821700000000, -0.0001430200000000 ] - [ -0.0000019000000000, 0.0000821700000000, 0.0001430200000000 ] - [ 0.0574001500000000, 0.0537248100000000, 0.0000000000000000 ] - [ 0.0021828300000000, 0.0013119000000000, -0.0028862100000000 ] - [ 0.0010275700000000, 0.0009061300000000, 0.0000000000000000 ] - [ 0.0021828300000000, 0.0013119000000000, 0.0028862100000000 ] - [ -0.0013220800000000, 0.0008034300000000, 0.0002428200000000 ] - [ -0.0013220800000000, 0.0008034300000000, -0.0002428200000000 ] - [ -0.0008650700000000, 0.0007309600000000, -0.0002350000000000 ] - [ -0.0008650700000000, 0.0007309600000000, 0.0002350000000000 ] - [ -0.0000343000000000, -0.0004898700000000, -0.0002425600000000 ] - [ -0.0000343000000000, -0.0004898700000000, 0.0002425600000000 ] - [ 0.0004255300000000, -0.0005607800000000, 0.0002338800000000 ] - [ 0.0004255300000000, -0.0005607800000000, -0.0002338800000000 ] - [ 0.0541824200000000, 0.0496019600000000, 0.0000000000000000 ] - [ 0.0008791800000000, 0.0000112000000000, 0.0028882400000000 ] - [ -0.0002648600000000, -0.0003862100000000, 0.0000000000000000 ] - [ 0.0008791800000000, 0.0000112000000000, -0.0028882400000000 ] - [ 0.0097956600000000, -0.0016246500000000, 0.0000000000000000 ] - [ 0.0007363600000000, -0.0002833200000000, 0.0013023200000000 ] - [ 0.0000562600000000, -0.0001079500000000, 0.0000000000000000 ] - [ 0.0007363600000000, -0.0002833200000000, -0.0013023200000000 ] - [ 0.0024057700000000, -0.0000906000000000, -0.0002907600000000 ] - [ 0.0024057700000000, -0.0000906000000000, 0.0002907600000000 ] - [ 0.0005867900000000, -0.0000684300000000, 0.0000409000000000 ] - [ 0.0005867900000000, -0.0000684300000000, -0.0000409000000000 ] - [ 0.0024208100000000, 0.0001069300000000, 0.0002839100000000 ] - [ 0.0024208100000000, 0.0001069300000000, -0.0002839100000000 ] - [ 0.0006027600000000, 0.0001244100000000, -0.0000391700000000 ] - [ 0.0006027600000000, 0.0001244100000000, 0.0000391700000000 ] - [ 0.0098933400000000, -0.0016261900000000, 0.0000000000000000 ] - [ 0.0009309400000000, -0.0002993700000000, -0.0012995700000000 ] - [ 0.0002483900000000, -0.0001226300000000, 0.0000000000000000 ] - [ 0.0009309400000000, -0.0002993700000000, 0.0012995700000000 ] - [ -0.0002438400000000, 0.0010743400000000, 0.0000404000000000 ] - [ -0.0002438400000000, 0.0010743400000000, -0.0000404000000000 ] - [ -0.0000517100000000, 0.0001754900000000, 0.0000893400000000 ] - [ -0.0000517100000000, 0.0001754900000000, -0.0000893400000000 ] - [ -0.0004290300000000, 0.0010594600000000, -0.0000393300000000 ] - [ -0.0004290300000000, 0.0010594600000000, 0.0000393300000000 ] - [ -0.0002422500000000, 0.0001608100000000, -0.0000904900000000 ] - [ -0.0002422500000000, 0.0001608100000000, 0.0000904900000000 ] - [ -0.0034057400000000, 0.0029244700000000, 0.0000000000000000 ] - [ -0.0013581800000000, 0.0002049700000000, -0.0003119000000000 ] - [ -0.0003212300000000, 0.0001902100000000, 0.0000000000000000 ] - [ -0.0013581800000000, 0.0002049700000000, 0.0003119000000000 ] - [ -0.0033911500000000, 0.0027141700000000, 0.0000000000000000 ] - [ -0.0013429500000000, 0.0000114500000000, 0.0003112500000000 ] - [ -0.0003043700000000, -0.0000011500000000, 0.0000000000000000 ] - [ -0.0013429500000000, 0.0000114500000000, -0.0003112500000000 ] - [ 0.0035746700000000, 0.0055726500000000, -0.0050383400000000 ] - [ 0.0035746700000000, 0.0055726500000000, 0.0050383400000000 ] - [ -0.0005277800000000, -0.0002652400000000, 0.0006316000000000 ] - [ -0.0005277800000000, -0.0002652400000000, -0.0006316000000000 ] - [ 0.0009728500000000, -0.0013379600000000, 0.0000000000000000 ] - [ 0.0008392800000000, -0.0007206200000000, 0.0004198700000000 ] - [ 0.0003871000000000, -0.0003361100000000, 0.0000000000000000 ] - [ 0.0008392800000000, -0.0007206200000000, -0.0004198700000000 ] - [ 0.0003446500000000, -0.0007038600000000, 0.0000000000000000 ] - [ 0.0002102600000000, -0.0000887600000000, -0.0004158200000000 ] - [ -0.0002447200000000, 0.0002945100000000, 0.0000000000000000 ] - [ 0.0002102600000000, -0.0000887600000000, 0.0004158200000000 ] - [ 0.0041831100000000, 0.0061434500000000, 0.0049982500000000 ] - [ 0.0041831100000000, 0.0061434500000000, -0.0049982500000000 ] - [ 0.0001060700000000, 0.0003650300000000, -0.0006329800000000 ] - [ 0.0001060700000000, 0.0003650300000000, 0.0006329800000000 ] - [ -0.1512653600000000, -0.1208448200000000, 0.0000000000000000 ] - [ -0.0028085000000000, -0.0004859400000000, -0.0000175200000000 ] - [ -0.0004172000000000, -0.0002020400000000, 0.0000000000000000 ] - [ -0.0028085000000000, -0.0004859400000000, 0.0000175200000000 ] - [ 0.0007248700000000, -0.0000007800000000, 0.0000001900000000 ] - [ 0.0007248700000000, -0.0000007800000000, -0.0000001900000000 ] - [ 0.0003666700000000, -0.0000008200000000, 0.0000004600000000 ] - [ 0.0003666700000000, -0.0000008200000000, -0.0000004600000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001454900000000, -0.0001454900000000, 0.0005596600000000 ] - [ -0.0003314900000000, -0.0003314900000000, -0.0001052600000000 ] - [ -0.0001469800000000, -0.0001469800000000, -0.0003435800000000 ] - [ 0.0000385500000000, 0.0000385500000000, -0.0001082700000000 ] - [ -0.0010132100000000, 0.0010132100000000, 0.0037886500000000 ] - [ 0.0014181400000000, -0.0014181400000000, 0.0038873700000000 ] - [ -0.0001537500000000, 0.0001537500000000, -0.0009136700000000 ] - [ 0.0004448200000000, -0.0004448200000000, -0.0009111000000000 ] - [ 0.0010132100000000, -0.0010132100000000, 0.0037886500000000 ] - [ -0.0014181400000000, 0.0014181400000000, 0.0038873700000000 ] - [ 0.0001537500000000, -0.0001537500000000, -0.0009136700000000 ] - [ -0.0004448200000000, 0.0004448200000000, -0.0009111000000000 ] - [ 0.0001454900000000, 0.0001454900000000, 0.0005596600000000 ] - [ 0.0003314900000000, 0.0003314900000000, -0.0001052600000000 ] - [ 0.0001469800000000, 0.0001469800000000, -0.0003435800000000 ] - [ -0.0000385500000000, -0.0000385500000000, -0.0001082700000000 ] - [ 0.0015588800000000, -0.0007388800000000, 0.0007858000000000 ] - [ -0.0008611300000000, 0.0003351900000000, 0.0007929700000000 ] - [ 0.0000909500000000, -0.0001863500000000, -0.0007822300000000 ] - [ 0.0006027600000000, -0.0002140300000000, -0.0007828100000000 ] - [ 0.0002001900000000, 0.0003438500000000, 0.0008740500000000 ] - [ -0.0002900100000000, 0.0006546100000000, -0.0001313000000000 ] - [ 0.0002008900000000, 0.0003475700000000, -0.0006317000000000 ] - [ 0.0006890000000000, 0.0000395600000000, -0.0001339100000000 ] - [ -0.0002001900000000, -0.0003438500000000, 0.0008740500000000 ] - [ 0.0002900100000000, -0.0006546100000000, -0.0001313000000000 ] - [ -0.0002008900000000, -0.0003475700000000, -0.0006317000000000 ] - [ -0.0006890000000000, -0.0000395600000000, -0.0001339100000000 ] - [ -0.0015588800000000, 0.0007388800000000, 0.0007858000000000 ] - [ 0.0008611300000000, -0.0003351900000000, 0.0007929700000000 ] - [ -0.0000909500000000, 0.0001863500000000, -0.0007822300000000 ] - [ -0.0006027600000000, 0.0002140300000000, -0.0007828100000000 ] - [ -0.0003438500000000, -0.0002001900000000, 0.0008740500000000 ] - [ -0.0006546100000000, 0.0002900100000000, -0.0001313000000000 ] - [ -0.0003475700000000, -0.0002008900000000, -0.0006317000000000 ] - [ -0.0000395600000000, -0.0006890000000000, -0.0001339100000000 ] - [ 0.0003438500000000, 0.0002001900000000, 0.0008740500000000 ] - [ 0.0006546100000000, -0.0002900100000000, -0.0001313000000000 ] - [ 0.0003475700000000, 0.0002008900000000, -0.0006317000000000 ] - [ 0.0000395600000000, 0.0006890000000000, -0.0001339100000000 ] - [ 0.0007388800000000, -0.0015588800000000, 0.0007858000000000 ] - [ -0.0003351900000000, 0.0008611300000000, 0.0007929700000000 ] - [ 0.0001863500000000, -0.0000909500000000, -0.0007822300000000 ] - [ 0.0002140300000000, -0.0006027600000000, -0.0007828100000000 ] - [ -0.0007388800000000, 0.0015588800000000, 0.0007858000000000 ] - [ 0.0003351900000000, -0.0008611300000000, 0.0007929700000000 ] - [ -0.0001863500000000, 0.0000909500000000, -0.0007822300000000 ] - [ -0.0002140300000000, 0.0006027600000000, -0.0007828100000000 ] - [ 0.0004470800000000, 0.0004470800000000, -0.0009664800000000 ] - [ -0.0013700500000000, -0.0013700500000000, -0.0021033200000000 ] - [ 0.0006448900000000, 0.0006448900000000, -0.0013713000000000 ] - [ 0.0026456500000000, 0.0026456500000000, -0.0021031600000000 ] - [ -0.0005022600000000, 0.0005022600000000, 0.0005265100000000 ] - [ -0.0007920800000000, 0.0007920800000000, 0.0005273400000000 ] - [ -0.0006852700000000, 0.0006852700000000, -0.0005393700000000 ] - [ -0.0006071200000000, 0.0006071200000000, -0.0005385500000000 ] - [ 0.0005022600000000, -0.0005022600000000, 0.0005265100000000 ] - [ 0.0007920800000000, -0.0007920800000000, 0.0005273400000000 ] - [ 0.0006852700000000, -0.0006852700000000, -0.0005393700000000 ] - [ 0.0006071200000000, -0.0006071200000000, -0.0005385500000000 ] - [ -0.0004470800000000, -0.0004470800000000, -0.0009664800000000 ] - [ 0.0013700500000000, 0.0013700500000000, -0.0021033200000000 ] - [ -0.0006448900000000, -0.0006448900000000, -0.0013713000000000 ] - [ -0.0026456500000000, -0.0026456500000000, -0.0021031600000000 ] - [ -0.0001138200000000, 0.0000114100000000, -0.0019872100000000 ] - [ 0.0009189600000000, 0.0000394800000000, 0.0004620400000000 ] - [ -0.0001006300000000, 0.0000087700000000, 0.0008428200000000 ] - [ -0.0011202300000000, -0.0000203100000000, 0.0004654100000000 ] - [ 0.0003076000000000, -0.0000311600000000, -0.0005591600000000 ] - [ -0.0003254600000000, -0.0001726300000000, -0.0005607700000000 ] - [ -0.0000866400000000, -0.0002171000000000, 0.0005390900000000 ] - [ 0.0000661400000000, 0.0000074100000000, 0.0005405000000000 ] - [ -0.0003076000000000, 0.0000311600000000, -0.0005591600000000 ] - [ 0.0003254600000000, 0.0001726300000000, -0.0005607700000000 ] - [ 0.0000866400000000, 0.0002171000000000, 0.0005390900000000 ] - [ -0.0000661400000000, -0.0000074100000000, 0.0005405000000000 ] - [ 0.0001138200000000, -0.0000114100000000, -0.0019872100000000 ] - [ -0.0009189600000000, -0.0000394800000000, 0.0004620400000000 ] - [ 0.0001006300000000, -0.0000087700000000, 0.0008428200000000 ] - [ 0.0011202300000000, 0.0000203100000000, 0.0004654100000000 ] - [ 0.0000311600000000, -0.0003076000000000, -0.0005591600000000 ] - [ 0.0001726300000000, 0.0003254600000000, -0.0005607700000000 ] - [ 0.0002171000000000, 0.0000866400000000, 0.0005390900000000 ] - [ -0.0000074100000000, -0.0000661400000000, 0.0005405000000000 ] - [ -0.0000311600000000, 0.0003076000000000, -0.0005591600000000 ] - [ -0.0001726300000000, -0.0003254600000000, -0.0005607700000000 ] - [ -0.0002171000000000, -0.0000866400000000, 0.0005390900000000 ] - [ 0.0000074100000000, 0.0000661400000000, 0.0005405000000000 ] - [ -0.0000114100000000, 0.0001138200000000, -0.0019872100000000 ] - [ -0.0000394800000000, -0.0009189600000000, 0.0004620400000000 ] - [ -0.0000087700000000, 0.0001006300000000, 0.0008428200000000 ] - [ 0.0000203100000000, 0.0011202300000000, 0.0004654100000000 ] - [ 0.0000114100000000, -0.0001138200000000, -0.0019872100000000 ] - [ 0.0000394800000000, 0.0009189600000000, 0.0004620400000000 ] - [ 0.0000087700000000, -0.0001006300000000, 0.0008428200000000 ] - [ -0.0000203100000000, -0.0011202300000000, 0.0004654100000000 ] - [ -0.0029068600000000, -0.0029068600000000, 0.0019299100000000 ] - [ 0.0022672500000000, 0.0022672500000000, 0.0019079000000000 ] - [ 0.0000347200000000, 0.0000347200000000, 0.0012659100000000 ] - [ -0.0006639700000000, -0.0006639700000000, 0.0012680200000000 ] - [ 0.0003163900000000, -0.0003163900000000, -0.0011203400000000 ] - [ 0.0008563900000000, -0.0008563900000000, 0.0003330000000000 ] - [ 0.0003184200000000, -0.0003184200000000, 0.0006725300000000 ] - [ -0.0002214200000000, 0.0002214200000000, 0.0003323400000000 ] - [ -0.0003163900000000, 0.0003163900000000, -0.0011203400000000 ] - [ -0.0008563900000000, 0.0008563900000000, 0.0003330000000000 ] - [ -0.0003184200000000, 0.0003184200000000, 0.0006725300000000 ] - [ 0.0002214200000000, -0.0002214200000000, 0.0003323400000000 ] - [ 0.0029068600000000, 0.0029068600000000, 0.0019299100000000 ] - [ -0.0022672500000000, -0.0022672500000000, 0.0019079000000000 ] - [ -0.0000347200000000, -0.0000347200000000, 0.0012659100000000 ] - [ 0.0006639700000000, 0.0006639700000000, 0.0012680200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0259161000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0068396000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016080300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0067565600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002962300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002964900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003102500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003106000000000 ]