# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b590825c-0aa7-4fc8-b79e-bc15a048ae02/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 CsHoZnTe3 / Cmcm (63) / materials id 579556](https://mdr.nims.go.jp/datasets/7d2d1b21-3b08-4ce3-8924-857b9b98ce7e) ## 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: "Cmcm" number: 63 Hall_symbol: "-C 2c 2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 3, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 2.169228745000000, -8.384689600000000, 0.000000000000000 ] # a - [ 2.169228745000000, 8.384689600000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.452766349999999 ] # c points: - symbol: Cs # 1 coordinates: [ 0.252621880000000, 0.747378120000000, 0.750000000000000 ] mass: 132.905452 - symbol: Cs # 2 coordinates: [ 0.747378120000000, 0.252621880000000, 0.250000000000000 ] mass: 132.905452 - symbol: Ho # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 164.930320 - symbol: Ho # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 164.930320 - symbol: Zn # 5 coordinates: [ 0.463500240000000, 0.536499760000000, 0.250000000000000 ] mass: 65.380000 - symbol: Zn # 6 coordinates: [ 0.536499760000000, 0.463500240000000, 0.750000000000000 ] mass: 65.380000 - symbol: Te # 7 coordinates: [ 0.938634800000000, 0.061365200000000, 0.750000000000000 ] mass: 127.600000 - symbol: Te # 8 coordinates: [ 0.621258570000000, 0.378741430000000, 0.943068800000000 ] mass: 127.600000 - symbol: Te # 9 coordinates: [ 0.378741430000000, 0.621258570000000, 0.443068800000000 ] mass: 127.600000 - symbol: Te # 10 coordinates: [ 0.378741430000000, 0.621258570000000, 0.056931200000000 ] mass: 127.600000 - symbol: Te # 11 coordinates: [ 0.061365200000000, 0.938634800000000, 0.250000000000000 ] mass: 127.600000 - symbol: Te # 12 coordinates: [ 0.621258570000000, 0.378741430000000, 0.556931200000000 ] mass: 127.600000 reciprocal_lattice: # without 2pi - [ 0.230496668990065, -0.059632499693250, 0.000000000000000 ] # a* - [ 0.230496668990065, 0.059632499693250, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.087315148972720 ] # c*unit_cell: lattice: - [ 4.338457490000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 16.769379199999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.452766349999999 ] # c points: - symbol: Cs # 1 coordinates: [ 0.500000000000000, 0.247378120000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.000000000000000, 0.252621880000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 2 - symbol: Cs # 3 coordinates: [ 0.000000000000000, 0.747378120000000, 0.750000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 4 coordinates: [ 0.500000000000000, 0.752621880000000, 0.250000000000000 ] mass: 132.905452 reduced_to: 2 - symbol: Ho # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 164.930320 reduced_to: 5 - symbol: Ho # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 164.930320 reduced_to: 6 - symbol: Ho # 7 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 164.930320 reduced_to: 5 - symbol: Ho # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 164.930320 reduced_to: 6 - symbol: Zn # 9 coordinates: [ 0.500000000000000, 0.036499760000000, 0.250000000000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 10 coordinates: [ 0.000000000000000, 0.463500240000000, 0.750000000000000 ] mass: 65.380000 reduced_to: 10 - symbol: Zn # 11 coordinates: [ 0.000000000000000, 0.536499760000000, 0.250000000000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 12 coordinates: [ 0.500000000000000, 0.963500240000000, 0.750000000000000 ] mass: 65.380000 reduced_to: 10 - symbol: Te # 13 coordinates: [ 0.000000000000000, 0.061365200000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 13 - symbol: Te # 14 coordinates: [ 0.000000000000000, 0.378741430000000, 0.943068800000000 ] mass: 127.600000 reduced_to: 14 - symbol: Te # 15 coordinates: [ 0.500000000000000, 0.121258570000000, 0.443068800000000 ] mass: 127.600000 reduced_to: 15 - symbol: Te # 16 coordinates: [ 0.500000000000000, 0.121258570000000, 0.056931200000000 ] mass: 127.600000 reduced_to: 16 - symbol: Te # 17 coordinates: [ 0.500000000000000, 0.438634800000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 17 - symbol: Te # 18 coordinates: [ 0.000000000000000, 0.378741430000000, 0.556931200000000 ] mass: 127.600000 reduced_to: 18 - symbol: Te # 19 coordinates: [ 0.500000000000000, 0.561365200000000, 0.750000000000000 ] mass: 127.600000 reduced_to: 13 - symbol: Te # 20 coordinates: [ 0.500000000000000, 0.878741430000000, 0.943068800000000 ] mass: 127.600000 reduced_to: 14 - symbol: Te # 21 coordinates: [ 0.000000000000000, 0.621258570000000, 0.443068800000000 ] mass: 127.600000 reduced_to: 15 - symbol: Te # 22 coordinates: [ 0.000000000000000, 0.621258570000000, 0.056931200000000 ] mass: 127.600000 reduced_to: 16 - symbol: Te # 23 coordinates: [ 0.000000000000000, 0.938634800000000, 0.250000000000000 ] mass: 127.600000 reduced_to: 17 - symbol: Te # 24 coordinates: [ 0.500000000000000, 0.878741430000000, 0.556931200000000 ] mass: 127.600000 reduced_to: 18supercell: lattice: - [ 13.015372469999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 16.769379199999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 22.905532699999998 ] # c points: - symbol: Cs # 1 coordinates: [ 0.166666666666667, 0.247378120000000, 0.375000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 2 coordinates: [ 0.500000000000000, 0.247378120000000, 0.375000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 3 coordinates: [ 0.833333333333333, 0.247378120000000, 0.375000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 4 coordinates: [ 0.166666666666667, 0.247378120000000, 0.875000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 5 coordinates: [ 0.500000000000000, 0.247378120000000, 0.875000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 6 coordinates: [ 0.833333333333333, 0.247378120000000, 0.875000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 7 coordinates: [ 0.000000000000000, 0.252621880000000, 0.125000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 8 coordinates: [ 0.333333333333333, 0.252621880000000, 0.125000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 9 coordinates: [ 0.666666666666667, 0.252621880000000, 0.125000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 10 coordinates: [ 0.000000000000000, 0.252621880000000, 0.625000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 11 coordinates: [ 0.333333333333333, 0.252621880000000, 0.625000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 12 coordinates: [ 0.666666666666667, 0.252621880000000, 0.625000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 13 coordinates: [ 0.000000000000000, 0.747378120000000, 0.375000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 14 coordinates: [ 0.333333333333333, 0.747378120000000, 0.375000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 15 coordinates: [ 0.666666666666667, 0.747378120000000, 0.375000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 16 coordinates: [ 0.000000000000000, 0.747378120000000, 0.875000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 17 coordinates: [ 0.333333333333333, 0.747378120000000, 0.875000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 18 coordinates: [ 0.666666666666667, 0.747378120000000, 0.875000000000000 ] mass: 132.905452 reduced_to: 1 - symbol: Cs # 19 coordinates: [ 0.166666666666667, 0.752621880000000, 0.125000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 20 coordinates: [ 0.500000000000000, 0.752621880000000, 0.125000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 21 coordinates: [ 0.833333333333333, 0.752621880000000, 0.125000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 22 coordinates: [ 0.166666666666667, 0.752621880000000, 0.625000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 23 coordinates: [ 0.500000000000000, 0.752621880000000, 0.625000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Cs # 24 coordinates: [ 0.833333333333333, 0.752621880000000, 0.625000000000000 ] mass: 132.905452 reduced_to: 7 - symbol: Ho # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 164.930320 reduced_to: 25 - symbol: Ho # 26 coordinates: [ 0.333333333333333, 0.000000000000000, 0.000000000000000 ] mass: 164.930320 reduced_to: 25 - symbol: Ho # 27 coordinates: [ 0.666666666666667, 0.000000000000000, 0.000000000000000 ] mass: 164.930320 reduced_to: 25 - symbol: Ho # 28 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 164.930320 reduced_to: 25 - symbol: Ho # 29 coordinates: [ 0.333333333333333, 0.000000000000000, 0.500000000000000 ] mass: 164.930320 reduced_to: 25 - symbol: Ho # 30 coordinates: [ 0.666666666666667, 0.000000000000000, 0.500000000000000 ] mass: 164.930320 reduced_to: 25 - symbol: Ho # 31 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 164.930320 reduced_to: 31 - symbol: Ho # 32 coordinates: [ 0.333333333333333, 0.000000000000000, 0.250000000000000 ] mass: 164.930320 reduced_to: 31 - symbol: Ho # 33 coordinates: [ 0.666666666666667, 0.000000000000000, 0.250000000000000 ] mass: 164.930320 reduced_to: 31 - symbol: Ho # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 164.930320 reduced_to: 31 - symbol: Ho # 35 coordinates: [ 0.333333333333333, 0.000000000000000, 0.750000000000000 ] mass: 164.930320 reduced_to: 31 - symbol: Ho # 36 coordinates: [ 0.666666666666667, 0.000000000000000, 0.750000000000000 ] mass: 164.930320 reduced_to: 31 - symbol: Ho # 37 coordinates: [ 0.166666666666667, 0.500000000000000, 0.000000000000000 ] mass: 164.930320 reduced_to: 25 - symbol: Ho # 38 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 164.930320 reduced_to: 25 - symbol: Ho # 39 coordinates: [ 0.833333333333333, 0.500000000000000, 0.000000000000000 ] mass: 164.930320 reduced_to: 25 - symbol: Ho # 40 coordinates: [ 0.166666666666667, 0.500000000000000, 0.500000000000000 ] mass: 164.930320 reduced_to: 25 - symbol: Ho # 41 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 164.930320 reduced_to: 25 - symbol: Ho # 42 coordinates: [ 0.833333333333333, 0.500000000000000, 0.500000000000000 ] mass: 164.930320 reduced_to: 25 - symbol: Ho # 43 coordinates: [ 0.166666666666667, 0.500000000000000, 0.250000000000000 ] mass: 164.930320 reduced_to: 31 - symbol: Ho # 44 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 164.930320 reduced_to: 31 - symbol: Ho # 45 coordinates: [ 0.833333333333333, 0.500000000000000, 0.250000000000000 ] mass: 164.930320 reduced_to: 31 - symbol: Ho # 46 coordinates: [ 0.166666666666667, 0.500000000000000, 0.750000000000000 ] mass: 164.930320 reduced_to: 31 - symbol: Ho # 47 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 164.930320 reduced_to: 31 - symbol: Ho # 48 coordinates: [ 0.833333333333333, 0.500000000000000, 0.750000000000000 ] mass: 164.930320 reduced_to: 31 - symbol: Zn # 49 coordinates: [ 0.166666666666667, 0.036499760000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 50 coordinates: [ 0.500000000000000, 0.036499760000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 51 coordinates: [ 0.833333333333333, 0.036499760000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 52 coordinates: [ 0.166666666666667, 0.036499760000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 53 coordinates: [ 0.500000000000000, 0.036499760000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 54 coordinates: [ 0.833333333333333, 0.036499760000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 55 coordinates: [ 0.000000000000000, 0.463500240000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 55 - symbol: Zn # 56 coordinates: [ 0.333333333333333, 0.463500240000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 55 - symbol: Zn # 57 coordinates: [ 0.666666666666667, 0.463500240000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 55 - symbol: Zn # 58 coordinates: [ 0.000000000000000, 0.463500240000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 55 - symbol: Zn # 59 coordinates: [ 0.333333333333333, 0.463500240000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 55 - symbol: Zn # 60 coordinates: [ 0.666666666666667, 0.463500240000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 55 - symbol: Zn # 61 coordinates: [ 0.000000000000000, 0.536499760000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 62 coordinates: [ 0.333333333333333, 0.536499760000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 63 coordinates: [ 0.666666666666667, 0.536499760000000, 0.125000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 64 coordinates: [ 0.000000000000000, 0.536499760000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 65 coordinates: [ 0.333333333333333, 0.536499760000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 66 coordinates: [ 0.666666666666667, 0.536499760000000, 0.625000000000000 ] mass: 65.380000 reduced_to: 49 - symbol: Zn # 67 coordinates: [ 0.166666666666667, 0.963500240000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 55 - symbol: Zn # 68 coordinates: [ 0.500000000000000, 0.963500240000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 55 - symbol: Zn # 69 coordinates: [ 0.833333333333333, 0.963500240000000, 0.375000000000000 ] mass: 65.380000 reduced_to: 55 - symbol: Zn # 70 coordinates: [ 0.166666666666667, 0.963500240000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 55 - symbol: Zn # 71 coordinates: [ 0.500000000000000, 0.963500240000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 55 - symbol: Zn # 72 coordinates: [ 0.833333333333333, 0.963500240000000, 0.875000000000000 ] mass: 65.380000 reduced_to: 55 - symbol: Te # 73 coordinates: [ 0.000000000000000, 0.061365200000000, 0.375000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 74 coordinates: [ 0.333333333333333, 0.061365200000000, 0.375000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 75 coordinates: [ 0.666666666666667, 0.061365200000000, 0.375000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 76 coordinates: [ 0.000000000000000, 0.061365200000000, 0.875000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 77 coordinates: [ 0.333333333333333, 0.061365200000000, 0.875000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 78 coordinates: [ 0.666666666666667, 0.061365200000000, 0.875000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 79 coordinates: [ 0.000000000000000, 0.378741430000000, 0.471534400000000 ] mass: 127.600000 reduced_to: 79 - symbol: Te # 80 coordinates: [ 0.333333333333333, 0.378741430000000, 0.471534400000000 ] mass: 127.600000 reduced_to: 79 - symbol: Te # 81 coordinates: [ 0.666666666666667, 0.378741430000000, 0.471534400000000 ] mass: 127.600000 reduced_to: 79 - symbol: Te # 82 coordinates: [ 0.000000000000000, 0.378741430000000, 0.971534400000000 ] mass: 127.600000 reduced_to: 79 - symbol: Te # 83 coordinates: [ 0.333333333333333, 0.378741430000000, 0.971534400000000 ] mass: 127.600000 reduced_to: 79 - symbol: Te # 84 coordinates: [ 0.666666666666667, 0.378741430000000, 0.971534400000000 ] mass: 127.600000 reduced_to: 79 - symbol: Te # 85 coordinates: [ 0.166666666666667, 0.121258570000000, 0.221534400000000 ] mass: 127.600000 reduced_to: 85 - symbol: Te # 86 coordinates: [ 0.500000000000000, 0.121258570000000, 0.221534400000000 ] mass: 127.600000 reduced_to: 85 - symbol: Te # 87 coordinates: [ 0.833333333333333, 0.121258570000000, 0.221534400000000 ] mass: 127.600000 reduced_to: 85 - symbol: Te # 88 coordinates: [ 0.166666666666667, 0.121258570000000, 0.721534400000000 ] mass: 127.600000 reduced_to: 85 - symbol: Te # 89 coordinates: [ 0.500000000000000, 0.121258570000000, 0.721534400000000 ] mass: 127.600000 reduced_to: 85 - symbol: Te # 90 coordinates: [ 0.833333333333333, 0.121258570000000, 0.721534400000000 ] mass: 127.600000 reduced_to: 85 - symbol: Te # 91 coordinates: [ 0.166666666666667, 0.121258570000000, 0.028465600000000 ] mass: 127.600000 reduced_to: 91 - symbol: Te # 92 coordinates: [ 0.500000000000000, 0.121258570000000, 0.028465600000000 ] mass: 127.600000 reduced_to: 91 - symbol: Te # 93 coordinates: [ 0.833333333333333, 0.121258570000000, 0.028465600000000 ] mass: 127.600000 reduced_to: 91 - symbol: Te # 94 coordinates: [ 0.166666666666667, 0.121258570000000, 0.528465600000000 ] mass: 127.600000 reduced_to: 91 - symbol: Te # 95 coordinates: [ 0.500000000000000, 0.121258570000000, 0.528465600000000 ] mass: 127.600000 reduced_to: 91 - symbol: Te # 96 coordinates: [ 0.833333333333333, 0.121258570000000, 0.528465600000000 ] mass: 127.600000 reduced_to: 91 - symbol: Te # 97 coordinates: [ 0.166666666666667, 0.438634800000000, 0.125000000000000 ] mass: 127.600000 reduced_to: 97 - symbol: Te # 98 coordinates: [ 0.500000000000000, 0.438634800000000, 0.125000000000000 ] mass: 127.600000 reduced_to: 97 - symbol: Te # 99 coordinates: [ 0.833333333333333, 0.438634800000000, 0.125000000000000 ] mass: 127.600000 reduced_to: 97 - symbol: Te # 100 coordinates: [ 0.166666666666667, 0.438634800000000, 0.625000000000000 ] mass: 127.600000 reduced_to: 97 - symbol: Te # 101 coordinates: [ 0.500000000000000, 0.438634800000000, 0.625000000000000 ] mass: 127.600000 reduced_to: 97 - symbol: Te # 102 coordinates: [ 0.833333333333333, 0.438634800000000, 0.625000000000000 ] mass: 127.600000 reduced_to: 97 - symbol: Te # 103 coordinates: [ 0.000000000000000, 0.378741430000000, 0.278465600000000 ] mass: 127.600000 reduced_to: 103 - symbol: Te # 104 coordinates: [ 0.333333333333333, 0.378741430000000, 0.278465600000000 ] mass: 127.600000 reduced_to: 103 - symbol: Te # 105 coordinates: [ 0.666666666666667, 0.378741430000000, 0.278465600000000 ] mass: 127.600000 reduced_to: 103 - symbol: Te # 106 coordinates: [ 0.000000000000000, 0.378741430000000, 0.778465600000000 ] mass: 127.600000 reduced_to: 103 - symbol: Te # 107 coordinates: [ 0.333333333333333, 0.378741430000000, 0.778465600000000 ] mass: 127.600000 reduced_to: 103 - symbol: Te # 108 coordinates: [ 0.666666666666667, 0.378741430000000, 0.778465600000000 ] mass: 127.600000 reduced_to: 103 - symbol: Te # 109 coordinates: [ 0.166666666666667, 0.561365200000000, 0.375000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 110 coordinates: [ 0.500000000000000, 0.561365200000000, 0.375000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 111 coordinates: [ 0.833333333333333, 0.561365200000000, 0.375000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 112 coordinates: [ 0.166666666666667, 0.561365200000000, 0.875000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 113 coordinates: [ 0.500000000000000, 0.561365200000000, 0.875000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 114 coordinates: [ 0.833333333333333, 0.561365200000000, 0.875000000000000 ] mass: 127.600000 reduced_to: 73 - symbol: Te # 115 coordinates: [ 0.166666666666667, 0.878741430000000, 0.471534400000000 ] mass: 127.600000 reduced_to: 79 - symbol: Te # 116 coordinates: [ 0.500000000000000, 0.878741430000000, 0.471534400000000 ] mass: 127.600000 reduced_to: 79 - symbol: Te # 117 coordinates: [ 0.833333333333333, 0.878741430000000, 0.471534400000000 ] mass: 127.600000 reduced_to: 79 - symbol: Te # 118 coordinates: [ 0.166666666666667, 0.878741430000000, 0.971534400000000 ] mass: 127.600000 reduced_to: 79 - symbol: Te # 119 coordinates: [ 0.500000000000000, 0.878741430000000, 0.971534400000000 ] mass: 127.600000 reduced_to: 79 - symbol: Te # 120 coordinates: [ 0.833333333333333, 0.878741430000000, 0.971534400000000 ] mass: 127.600000 reduced_to: 79 - symbol: Te # 121 coordinates: [ 0.000000000000000, 0.621258570000000, 0.221534400000000 ] mass: 127.600000 reduced_to: 85 - symbol: Te # 122 coordinates: [ 0.333333333333333, 0.621258570000000, 0.221534400000000 ] mass: 127.600000 reduced_to: 85 - symbol: Te # 123 coordinates: [ 0.666666666666667, 0.621258570000000, 0.221534400000000 ] mass: 127.600000 reduced_to: 85 - symbol: Te # 124 coordinates: [ 0.000000000000000, 0.621258570000000, 0.721534400000000 ] mass: 127.600000 reduced_to: 85 - symbol: Te # 125 coordinates: [ 0.333333333333333, 0.621258570000000, 0.721534400000000 ] mass: 127.600000 reduced_to: 85 - symbol: Te # 126 coordinates: [ 0.666666666666667, 0.621258570000000, 0.721534400000000 ] mass: 127.600000 reduced_to: 85 - symbol: Te # 127 coordinates: [ 0.000000000000000, 0.621258570000000, 0.028465600000000 ] mass: 127.600000 reduced_to: 91 - symbol: Te # 128 coordinates: [ 0.333333333333333, 0.621258570000000, 0.028465600000000 ] mass: 127.600000 reduced_to: 91 - symbol: Te # 129 coordinates: [ 0.666666666666667, 0.621258570000000, 0.028465600000000 ] mass: 127.600000 reduced_to: 91 - symbol: Te # 130 coordinates: [ 0.000000000000000, 0.621258570000000, 0.528465600000000 ] mass: 127.600000 reduced_to: 91 - symbol: Te # 131 coordinates: [ 0.333333333333333, 0.621258570000000, 0.528465600000000 ] mass: 127.600000 reduced_to: 91 - symbol: Te # 132 coordinates: [ 0.666666666666667, 0.621258570000000, 0.528465600000000 ] mass: 127.600000 reduced_to: 91 - symbol: Te # 133 coordinates: [ 0.000000000000000, 0.938634800000000, 0.125000000000000 ] mass: 127.600000 reduced_to: 97 - symbol: Te # 134 coordinates: [ 0.333333333333333, 0.938634800000000, 0.125000000000000 ] mass: 127.600000 reduced_to: 97 - symbol: Te # 135 coordinates: [ 0.666666666666667, 0.938634800000000, 0.125000000000000 ] mass: 127.600000 reduced_to: 97 - symbol: Te # 136 coordinates: [ 0.000000000000000, 0.938634800000000, 0.625000000000000 ] mass: 127.600000 reduced_to: 97 - symbol: Te # 137 coordinates: [ 0.333333333333333, 0.938634800000000, 0.625000000000000 ] mass: 127.600000 reduced_to: 97 - symbol: Te # 138 coordinates: [ 0.666666666666667, 0.938634800000000, 0.625000000000000 ] mass: 127.600000 reduced_to: 97 - symbol: Te # 139 coordinates: [ 0.166666666666667, 0.878741430000000, 0.278465600000000 ] mass: 127.600000 reduced_to: 103 - symbol: Te # 140 coordinates: [ 0.500000000000000, 0.878741430000000, 0.278465600000000 ] mass: 127.600000 reduced_to: 103 - symbol: Te # 141 coordinates: [ 0.833333333333333, 0.878741430000000, 0.278465600000000 ] mass: 127.600000 reduced_to: 103 - symbol: Te # 142 coordinates: [ 0.166666666666667, 0.878741430000000, 0.778465600000000 ] mass: 127.600000 reduced_to: 103 - symbol: Te # 143 coordinates: [ 0.500000000000000, 0.878741430000000, 0.778465600000000 ] mass: 127.600000 reduced_to: 103 - symbol: Te # 144 coordinates: [ 0.833333333333333, 0.878741430000000, 0.778465600000000 ] mass: 127.600000 reduced_to: 103born_effective_charge:- # 1 (Cs) - [ 1.276763790000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.062472450000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.333393940000000 ]- # 2 (Cs) - [ 1.276763790000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.062472450000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.333393940000000 ]- # 3 (Ho) - [ 5.446672000000000, 0.000000000000000, -0.000000000000000 ] - [ -0.000000000000000, 1.623173120000000, 0.415713490000000 ] - [ 0.000000000000000, 0.518489940000000, 4.884587330000000 ]- # 4 (Ho) - [ 5.446672000000000, 0.000000000000001, 0.000000000000000 ] - [ -0.000000000000000, 1.623173120000000, -0.415713490000000 ] - [ -0.000000000000000, -0.518489940000000, 4.884587330000000 ]- # 5 (Zn) - [ 2.063447450000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 0.718905400000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.902237970000000 ]- # 6 (Zn) - [ 2.063447450000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 0.718905400000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.902237970000000 ]- # 7 (Te) - [ -2.307799250000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.114600410000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.499607140000000 ]- # 8 (Te) - [ -3.239542000000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.644975280000000, -0.062760460000000 ] - [ -0.000000000000000, -0.076887230000000, -2.310306050000000 ]- # 9 (Te) - [ -3.239542000000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -1.644975280000000, 0.062760460000000 ] - [ 0.000000000000000, 0.076887230000000, -2.310306050000000 ]- # 10 (Te) - [ -3.239542000000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.644975280000000, -0.062760460000000 ] - [ -0.000000000000000, -0.076887230000000, -2.310306050000000 ]- # 11 (Te) - [ -2.307799250000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.114600410000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.499607140000000 ]- # 12 (Te) - [ -3.239542000000000, -0.000000000000000, -0.000000000000000 ] - [ 0.000000000000000, -1.644975280000000, 0.062760460000000 ] - [ 0.000000000000000, 0.076887230000000, -2.310306050000000 ]dielectric_constant: - [ 9.437779380000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 5.520971190000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 8.319483260000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0161422200000000, -0.0000481800000000, 0.0000000000000000 ] - [ 0.0022993400000000, 0.0000142400000000, 0.0000000000000000 ] - [ 0.0023035600000000, -0.0000282300000000, 0.0000000000000000 ] - [ 0.0000050200000000, -0.0000149900000000, 0.0000000000000000 ] - [ -0.0000012300000000, -0.0000112400000000, 0.0000000000000000 ] - [ -0.0000021200000000, -0.0000197200000000, 0.0000000000000000 ] - [ -0.0000198800000000, 0.0000631400000000, 0.0001415300000000 ] - [ 0.0000164300000000, -0.0000002200000000, -0.0001497400000000 ] - [ 0.0000054200000000, 0.0000202300000000, -0.0000048900000000 ] - [ -0.0000198800000000, 0.0000631400000000, -0.0001415300000000 ] - [ 0.0000164300000000, -0.0000002200000000, 0.0001497400000000 ] - [ 0.0000054200000000, 0.0000202300000000, 0.0000048900000000 ] - [ -0.0000304400000000, -0.0000280400000000, 0.0000000000000000 ] - [ -0.0000336900000000, -0.0000036500000000, 0.0000000000000000 ] - [ 0.0000684400000000, -0.0000281100000000, 0.0000000000000000 ] - [ -0.0000004000000000, -0.0000284200000000, 0.0000000000000000 ] - [ 0.0000011400000000, -0.0000226800000000, 0.0000000000000000 ] - [ 0.0000014200000000, -0.0000266600000000, 0.0000000000000000 ] - [ -0.0000168600000000, 0.0000140000000000, -0.0000009700000000 ] - [ 0.0000108300000000, 0.0000119700000000, -0.0000244800000000 ] - [ 0.0000122700000000, 0.0000170500000000, 0.0000235200000000 ] - [ -0.0000168600000000, 0.0000140000000000, 0.0000009700000000 ] - [ 0.0000108300000000, 0.0000119700000000, 0.0000244800000000 ] - [ 0.0000122700000000, 0.0000170500000000, -0.0000235200000000 ] - [ -0.0000242300000000, -0.0000239700000000, 0.0000135700000000 ] - [ 0.0000017800000000, -0.0000303400000000, -0.0000163100000000 ] - [ 0.0000204400000000, -0.0000220500000000, 0.0000010200000000 ] - [ -0.0001624200000000, 0.0002288000000000, -0.0005988600000000 ] - [ -0.0001326600000000, -0.0002766700000000, 0.0006103200000000 ] - [ 0.0002712900000000, -0.0000243400000000, 0.0000126400000000 ] - [ -0.0001624200000000, 0.0002288000000000, 0.0005988600000000 ] - [ -0.0001326600000000, -0.0002766700000000, -0.0006103200000000 ] - [ 0.0002712900000000, -0.0000243400000000, -0.0000126400000000 ] - [ -0.0000242300000000, -0.0000239700000000, -0.0000135700000000 ] - [ 0.0000017800000000, -0.0000303400000000, 0.0000163100000000 ] - [ 0.0000204400000000, -0.0000220500000000, -0.0000010200000000 ] - [ 0.0000009300000000, 0.0000092000000000, -0.0000144500000000 ] - [ 0.0000057700000000, 0.0000185200000000, -0.0000516900000000 ] - [ -0.0000006600000000, -0.0000145200000000, 0.0000420700000000 ] - [ -0.0013806700000000, 0.0000190400000000, -0.0000146000000000 ] - [ 0.0006644600000000, 0.0003923700000000, 0.0003445700000000 ] - [ 0.0006742300000000, -0.0003516100000000, -0.0003448800000000 ] - [ -0.0013806700000000, 0.0000190400000000, 0.0000146000000000 ] - [ 0.0006644600000000, 0.0003923700000000, -0.0003445700000000 ] - [ 0.0006742300000000, -0.0003516100000000, 0.0003448800000000 ] - [ 0.0000009300000000, 0.0000092000000000, 0.0000144500000000 ] - [ 0.0000057700000000, 0.0000185200000000, 0.0000516900000000 ] - [ -0.0000006600000000, -0.0000145200000000, -0.0000420700000000 ] - [ 0.0001376300000000, -0.0021703900000000, 0.0000016500000000 ] - [ -0.0000211100000000, -0.0022327300000000, -0.0001182400000000 ] - [ -0.0000232200000000, -0.0020886000000000, 0.0001106700000000 ] - [ 0.0001376300000000, -0.0021703900000000, -0.0000016500000000 ] - [ -0.0000211100000000, -0.0022327300000000, 0.0001182400000000 ] - [ -0.0000232200000000, -0.0020886000000000, -0.0001106700000000 ] - [ 0.0001748200000000, 0.0011457600000000, 0.0000000000000000 ] - [ 0.0001751400000000, 0.0031816000000000, 0.0000000000000000 ] - [ 0.0002177500000000, 0.0021616000000000, 0.0000000000000000 ] - [ 0.0000025100000000, 0.0021617200000000, 0.0000000000000000 ] - [ -0.0000003800000000, 0.0021501000000000, 0.0000000000000000 ] - [ -0.0000013500000000, 0.0021516200000000, 0.0000000000000000 ] - [ -0.0000359000000000, -0.0021326800000000, 0.0000747800000000 ] - [ -0.0000081800000000, -0.0021462300000000, -0.0000769800000000 ] - [ 0.0000415600000000, -0.0021343100000000, -0.0000007500000000 ] - [ -0.0000359000000000, -0.0021326800000000, -0.0000747800000000 ] - [ -0.0000081800000000, -0.0021462300000000, 0.0000769800000000 ] - [ 0.0000415600000000, -0.0021343100000000, 0.0000007500000000 ] - [ -0.0010392900000000, 0.0021376200000000, 0.0000000000000000 ] - [ 0.0003538100000000, 0.0020317700000000, 0.0000000000000000 ] - [ 0.0003712600000000, 0.0022416200000000, 0.0000000000000000 ] - [ -0.0000020700000000, 0.0021406600000000, 0.0000000000000000 ] - [ 0.0000034400000000, 0.0021369000000000, 0.0000000000000000 ] - [ 0.0000002000000000, 0.0021410500000000, 0.0000000000000000 ] - [ 0.0020916800000000, 0.0017828500000000, 0.0000000000000000 ] - [ 0.0021374300000000, -0.0034818400000000, 0.0000000000000000 ] - [ -0.0002406900000000, -0.0008039600000000, 0.0000000000000000 ] - [ 0.0000118500000000, -0.0008368800000000, 0.0000000000000000 ] - [ 0.0000039900000000, -0.0008272200000000, 0.0000000000000000 ] - [ -0.0000090300000000, -0.0008318700000000, 0.0000000000000000 ] - [ 0.0020016600000000, -0.0022759700000000, -0.0004319300000000 ] - [ 0.0020599100000000, 0.0005038900000000, 0.0030810800000000 ] - [ -0.0003880800000000, -0.0009196700000000, 0.0012813600000000 ] - [ 0.0000072800000000, -0.0008908300000000, 0.0013290300000000 ] - [ 0.0000083000000000, -0.0008787300000000, 0.0013072700000000 ] - [ -0.0000169700000000, -0.0008723600000000, 0.0013077900000000 ] - [ 0.0000033100000000, 0.0009426700000000, 0.0012553500000000 ] - [ -0.0000667600000000, 0.0010183200000000, 0.0014569800000000 ] - [ -0.0000100500000000, 0.0007989000000000, 0.0011076400000000 ] - [ -0.0000429900000000, 0.0009457300000000, 0.0012544800000000 ] - [ -0.0000067300000000, 0.0008795600000000, 0.0012673800000000 ] - [ 0.0000497300000000, 0.0009324900000000, 0.0012866300000000 ] - [ -0.0000429900000000, 0.0009457300000000, -0.0012544800000000 ] - [ -0.0000067300000000, 0.0008795600000000, -0.0012673800000000 ] - [ 0.0000497300000000, 0.0009324900000000, -0.0012866300000000 ] - [ 0.0000033100000000, 0.0009426700000000, -0.0012553500000000 ] - [ -0.0000667600000000, 0.0010183200000000, -0.0014569800000000 ] - [ -0.0000100500000000, 0.0007989000000000, -0.0011076400000000 ] - [ 0.0000680300000000, 0.0007821600000000, 0.0000019300000000 ] - [ -0.0000529200000000, 0.0007958300000000, 0.0000875800000000 ] - [ -0.0000061400000000, 0.0008215200000000, -0.0000859700000000 ] - [ 0.0000680300000000, 0.0007821600000000, -0.0000019300000000 ] - [ -0.0000529200000000, 0.0007958300000000, -0.0000875800000000 ] - [ -0.0000061400000000, 0.0008215200000000, 0.0000859700000000 ] - [ 0.0020016600000000, -0.0022759700000000, 0.0004319300000000 ] - [ 0.0020599100000000, 0.0005038900000000, -0.0030810800000000 ] - [ -0.0003880800000000, -0.0009196700000000, -0.0012813600000000 ] - [ 0.0000072800000000, -0.0008908300000000, -0.0013290300000000 ] - [ 0.0000083000000000, -0.0008787300000000, -0.0013072700000000 ] - [ -0.0000169700000000, -0.0008723600000000, -0.0013077900000000 ] - [ 0.0005090000000000, -0.0008360200000000, 0.0000000000000000 ] - [ -0.0003827500000000, -0.0011799500000000, 0.0000000000000000 ] - [ -0.0003710100000000, -0.0005028500000000, 0.0000000000000000 ] - [ -0.0000032400000000, -0.0008481900000000, 0.0000000000000000 ] - [ -0.0000001100000000, -0.0008502200000000, 0.0000000000000000 ] - [ 0.0000033800000000, -0.0008417100000000, 0.0000000000000000 ] - [ 0.0003288000000000, -0.0008673100000000, 0.0012983300000000 ] - [ -0.0001486000000000, -0.0007900800000000, 0.0012141600000000 ] - [ -0.0001343300000000, -0.0009320600000000, 0.0013973200000000 ] - [ 0.0000163400000000, -0.0008532800000000, 0.0013105200000000 ] - [ -0.0000110700000000, -0.0008476300000000, 0.0013101500000000 ] - [ -0.0000062600000000, -0.0008605400000000, 0.0013119900000000 ] - [ 0.0000892700000000, 0.0009819800000000, 0.0012446800000000 ] - [ 0.0000848000000000, 0.0007300200000000, 0.0013639000000000 ] - [ -0.0001683500000000, 0.0008497000000000, 0.0013007100000000 ] - [ 0.0000198600000000, 0.0008471600000000, 0.0013054500000000 ] - [ 0.0000155600000000, 0.0008646100000000, 0.0012888000000000 ] - [ -0.0000386800000000, 0.0008532600000000, 0.0012993500000000 ] - [ 0.0000198600000000, 0.0008471600000000, -0.0013054500000000 ] - [ 0.0000155600000000, 0.0008646100000000, -0.0012888000000000 ] - [ -0.0000386800000000, 0.0008532600000000, -0.0012993500000000 ] - [ 0.0000892700000000, 0.0009819800000000, -0.0012446800000000 ] - [ 0.0000848000000000, 0.0007300200000000, -0.0013639000000000 ] - [ -0.0001683500000000, 0.0008497000000000, -0.0013007100000000 ] - [ 0.0000821000000000, 0.0008701000000000, -0.0000630700000000 ] - [ 0.0000718400000000, 0.0008340000000000, 0.0000638000000000 ] - [ -0.0000836300000000, 0.0008516600000000, 0.0000011800000000 ] - [ 0.0000821000000000, 0.0008701000000000, 0.0000630700000000 ] - [ 0.0000718400000000, 0.0008340000000000, -0.0000638000000000 ] - [ -0.0000836300000000, 0.0008516600000000, -0.0000011800000000 ] - [ 0.0003288000000000, -0.0008673100000000, -0.0012983300000000 ] - [ -0.0001486000000000, -0.0007900800000000, -0.0012141600000000 ] - [ -0.0001343300000000, -0.0009320600000000, -0.0013973200000000 ] - [ 0.0000163400000000, -0.0008532800000000, -0.0013105200000000 ] - [ -0.0000110700000000, -0.0008476300000000, -0.0013101500000000 ] - [ -0.0000062600000000, -0.0008605400000000, -0.0013119900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0173309400000000, 0.0000000000000000 ] - [ -0.0000327700000000, -0.0009393000000000, 0.0000000000000000 ] - [ 0.0000327700000000, -0.0009393000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001886600000000, 0.0000000000000000 ] - [ -0.0000030400000000, -0.0001556300000000, 0.0000000000000000 ] - [ 0.0000030400000000, -0.0001556300000000, 0.0000000000000000 ] - [ 0.0000491000000000, -0.0003576300000000, -0.0000796300000000 ] - [ -0.0000491000000000, -0.0003576300000000, -0.0000796300000000 ] - [ 0.0000000000000000, -0.0002264500000000, -0.0000271000000000 ] - [ 0.0000491000000000, -0.0003576300000000, 0.0000796300000000 ] - [ -0.0000491000000000, -0.0003576300000000, 0.0000796300000000 ] - [ 0.0000000000000000, -0.0002264500000000, 0.0000271000000000 ] - [ 0.0000156100000000, 0.0004673200000000, 0.0000000000000000 ] - [ -0.0000156100000000, 0.0004673200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003932200000000, 0.0000000000000000 ] - [ 0.0000035500000000, 0.0001515100000000, 0.0000000000000000 ] - [ -0.0000035500000000, 0.0001515100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001452400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003119500000000, 0.0000204300000000 ] - [ -0.0000028900000000, 0.0002800500000000, 0.0000044700000000 ] - [ 0.0000028900000000, 0.0002800500000000, 0.0000044700000000 ] - [ 0.0000000000000000, 0.0003119500000000, -0.0000204300000000 ] - [ -0.0000028900000000, 0.0002800500000000, -0.0000044700000000 ] - [ 0.0000028900000000, 0.0002800500000000, -0.0000044700000000 ] - [ 0.0000994500000000, 0.0000406100000000, 0.0002342700000000 ] - [ -0.0000994500000000, 0.0000406100000000, 0.0002342700000000 ] - [ 0.0000000000000000, 0.0000222200000000, 0.0001029500000000 ] - [ 0.0004411600000000, 0.0004437800000000, -0.0007897500000000 ] - [ -0.0004411600000000, 0.0004437800000000, -0.0007897500000000 ] - [ 0.0000000000000000, -0.0000606700000000, -0.0002117200000000 ] - [ 0.0004411600000000, 0.0004437800000000, 0.0007897500000000 ] - [ -0.0004411600000000, 0.0004437800000000, 0.0007897500000000 ] - [ 0.0000000000000000, -0.0000606700000000, 0.0002117200000000 ] - [ 0.0000994500000000, 0.0000406100000000, -0.0002342700000000 ] - [ -0.0000994500000000, 0.0000406100000000, -0.0002342700000000 ] - [ 0.0000000000000000, 0.0000222200000000, -0.0001029500000000 ] - [ 0.0000000000000000, 0.0000025900000000, -0.0002313500000000 ] - [ -0.0000124500000000, -0.0000101900000000, -0.0001848900000000 ] - [ 0.0000124500000000, -0.0000101900000000, -0.0001848900000000 ] - [ 0.0000000000000000, 0.0011969700000000, 0.0011470100000000 ] - [ 0.0005479800000000, 0.0005651300000000, 0.0005310600000000 ] - [ -0.0005479800000000, 0.0005651300000000, 0.0005310600000000 ] - [ 0.0000000000000000, 0.0011969700000000, -0.0011470100000000 ] - [ 0.0005479800000000, 0.0005651300000000, -0.0005310600000000 ] - [ -0.0005479800000000, 0.0005651300000000, -0.0005310600000000 ] - [ 0.0000000000000000, 0.0000025900000000, 0.0002313500000000 ] - [ -0.0000124500000000, -0.0000101900000000, 0.0001848900000000 ] - [ 0.0000124500000000, -0.0000101900000000, 0.0001848900000000 ] - [ 0.0000000000000000, -0.0017424500000000, 0.0004823400000000 ] - [ -0.0000422200000000, -0.0021620800000000, 0.0000806000000000 ] - [ 0.0000422200000000, -0.0021620800000000, 0.0000806000000000 ] - [ 0.0000000000000000, -0.0017424500000000, -0.0004823400000000 ] - [ -0.0000422200000000, -0.0021620800000000, -0.0000806000000000 ] - [ 0.0000422200000000, -0.0021620800000000, -0.0000806000000000 ] - [ -0.0009062000000000, 0.0033431700000000, 0.0000000000000000 ] - [ 0.0009062000000000, 0.0033431700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0019988500000000, 0.0000000000000000 ] - [ 0.0000009100000000, 0.0021568200000000, 0.0000000000000000 ] - [ -0.0000009100000000, 0.0021568200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0021623900000000, 0.0000000000000000 ] - [ -0.0000254000000000, -0.0020953900000000, -0.0001230000000000 ] - [ 0.0000254000000000, -0.0020953900000000, -0.0001230000000000 ] - [ 0.0000000000000000, -0.0020956100000000, -0.0000559300000000 ] - [ -0.0000254000000000, -0.0020953900000000, 0.0001230000000000 ] - [ 0.0000254000000000, -0.0020953900000000, 0.0001230000000000 ] - [ 0.0000000000000000, -0.0020956100000000, 0.0000559300000000 ] - [ 0.0000000000000000, 0.0028986700000000, 0.0000000000000000 ] - [ -0.0005871300000000, 0.0027305800000000, 0.0000000000000000 ] - [ 0.0005871300000000, 0.0027305800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0021644800000000, 0.0000000000000000 ] - [ -0.0000109300000000, 0.0021667700000000, 0.0000000000000000 ] - [ 0.0000109300000000, 0.0021667700000000, 0.0000000000000000 ] - [ 0.0029756200000000, 0.0022948800000000, 0.0000000000000000 ] - [ -0.0029756200000000, 0.0022948800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008837400000000, 0.0000000000000000 ] - [ -0.0000247000000000, -0.0008403300000000, 0.0000000000000000 ] - [ 0.0000247000000000, -0.0008403300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008180700000000, 0.0000000000000000 ] - [ -0.0015107600000000, 0.0005360500000000, 0.0028661800000000 ] - [ 0.0015107600000000, 0.0005360500000000, 0.0028661800000000 ] - [ 0.0000000000000000, -0.0007777000000000, 0.0012989400000000 ] - [ 0.0000025600000000, -0.0007896300000000, 0.0013592500000000 ] - [ -0.0000025600000000, -0.0007896300000000, 0.0013592500000000 ] - [ 0.0000000000000000, -0.0007959800000000, 0.0013625600000000 ] - [ 0.0000000000000000, 0.0007351300000000, 0.0014059400000000 ] - [ 0.0001265000000000, 0.0009741500000000, 0.0011561200000000 ] - [ -0.0001265000000000, 0.0009741500000000, 0.0011561200000000 ] - [ 0.0000000000000000, 0.0008908900000000, 0.0016263300000000 ] - [ 0.0000258000000000, 0.0009473800000000, 0.0013976700000000 ] - [ -0.0000258000000000, 0.0009473800000000, 0.0013976700000000 ] - [ 0.0000000000000000, 0.0008908900000000, -0.0016263300000000 ] - [ 0.0000258000000000, 0.0009473800000000, -0.0013976700000000 ] - [ -0.0000258000000000, 0.0009473800000000, -0.0013976700000000 ] - [ 0.0000000000000000, 0.0007351300000000, -0.0014059400000000 ] - [ 0.0001265000000000, 0.0009741500000000, -0.0011561200000000 ] - [ -0.0001265000000000, 0.0009741500000000, -0.0011561200000000 ] - [ 0.0000000000000000, 0.0007890400000000, 0.0003451300000000 ] - [ -0.0000487700000000, 0.0008093300000000, 0.0002626300000000 ] - [ 0.0000487700000000, 0.0008093300000000, 0.0002626300000000 ] - [ 0.0000000000000000, 0.0007890400000000, -0.0003451300000000 ] - [ -0.0000487700000000, 0.0008093300000000, -0.0002626300000000 ] - [ 0.0000487700000000, 0.0008093300000000, -0.0002626300000000 ] - [ -0.0015107600000000, 0.0005360500000000, -0.0028661800000000 ] - [ 0.0015107600000000, 0.0005360500000000, -0.0028661800000000 ] - [ 0.0000000000000000, -0.0007777000000000, -0.0012989400000000 ] - [ 0.0000025600000000, -0.0007896300000000, -0.0013592500000000 ] - [ -0.0000025600000000, -0.0007896300000000, -0.0013592500000000 ] - [ 0.0000000000000000, -0.0007959800000000, -0.0013625600000000 ] - [ 0.0000000000000000, -0.0013137900000000, 0.0000000000000000 ] - [ -0.0003886400000000, -0.0012055000000000, 0.0000000000000000 ] - [ 0.0003886400000000, -0.0012055000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008338000000000, 0.0000000000000000 ] - [ 0.0000033900000000, -0.0008335100000000, 0.0000000000000000 ] - [ -0.0000033900000000, -0.0008335100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0013692700000000, 0.0016024100000000 ] - [ 0.0002249700000000, -0.0011632400000000, 0.0014846900000000 ] - [ -0.0002249700000000, -0.0011632400000000, 0.0014846900000000 ] - [ 0.0000000000000000, -0.0009245500000000, 0.0012742300000000 ] - [ 0.0000236500000000, -0.0009181800000000, 0.0012799400000000 ] - [ -0.0000236500000000, -0.0009181800000000, 0.0012799400000000 ] - [ 0.0000836400000000, 0.0005350400000000, 0.0015541600000000 ] - [ -0.0000836400000000, 0.0005350400000000, 0.0015541600000000 ] - [ 0.0000000000000000, 0.0006499200000000, 0.0015242000000000 ] - [ 0.0000144100000000, 0.0007898400000000, 0.0011966200000000 ] - [ -0.0000144100000000, 0.0007898400000000, 0.0011966200000000 ] - [ 0.0000000000000000, 0.0007812900000000, 0.0011914500000000 ] - [ 0.0000144100000000, 0.0007898400000000, -0.0011966200000000 ] - [ -0.0000144100000000, 0.0007898400000000, -0.0011966200000000 ] - [ 0.0000000000000000, 0.0007812900000000, -0.0011914500000000 ] - [ 0.0000836400000000, 0.0005350400000000, -0.0015541600000000 ] - [ -0.0000836400000000, 0.0005350400000000, -0.0015541600000000 ] - [ 0.0000000000000000, 0.0006499200000000, -0.0015242000000000 ] - [ -0.0001375500000000, 0.0007017100000000, -0.0003459700000000 ] - [ 0.0001375500000000, 0.0007017100000000, -0.0003459700000000 ] - [ 0.0000000000000000, 0.0008255000000000, -0.0001304700000000 ] - [ -0.0001375500000000, 0.0007017100000000, 0.0003459700000000 ] - [ 0.0001375500000000, 0.0007017100000000, 0.0003459700000000 ] - [ 0.0000000000000000, 0.0008255000000000, 0.0001304700000000 ] - [ 0.0000000000000000, -0.0013692700000000, -0.0016024100000000 ] - [ 0.0002249700000000, -0.0011632400000000, -0.0014846900000000 ] - [ -0.0002249700000000, -0.0011632400000000, -0.0014846900000000 ] - [ 0.0000000000000000, -0.0009245500000000, -0.0012742300000000 ] - [ 0.0000236500000000, -0.0009181800000000, -0.0012799400000000 ] - [ -0.0000236500000000, -0.0009181800000000, -0.0012799400000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0173154600000000, 0.0000000000000000 ] - [ 0.0001055400000000, 0.0008125000000000, 0.0000000000000000 ] - [ -0.0001055400000000, 0.0008125000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000073400000000, 0.0000000000000000 ] - [ 0.0000450100000000, -0.0000182400000000, 0.0000000000000000 ] - [ -0.0000450100000000, -0.0000182400000000, 0.0000000000000000 ] - [ -0.0000732500000000, 0.0001697800000000, 0.0001091800000000 ] - [ 0.0000732500000000, 0.0001697800000000, 0.0001091800000000 ] - [ 0.0000000000000000, 0.0003063800000000, 0.0000546200000000 ] - [ -0.0000732500000000, 0.0001697800000000, -0.0001091800000000 ] - [ 0.0000732500000000, 0.0001697800000000, -0.0001091800000000 ] - [ 0.0000000000000000, 0.0003063800000000, -0.0000546200000000 ] - [ -0.0000339100000000, -0.0006744300000000, 0.0000000000000000 ] - [ 0.0000339100000000, -0.0006744300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004955800000000, 0.0000000000000000 ] - [ -0.0000158200000000, 0.0000225900000000, 0.0000000000000000 ] - [ 0.0000158200000000, 0.0000225900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003867600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003720800000000, 0.0000168900000000 ] - [ -0.0000615900000000, -0.0001544900000000, 0.0000127600000000 ] - [ 0.0000615900000000, -0.0001544900000000, 0.0000127600000000 ] - [ 0.0000000000000000, 0.0003720800000000, -0.0000168900000000 ] - [ -0.0000615900000000, -0.0001544900000000, -0.0000127600000000 ] - [ 0.0000615900000000, -0.0001544900000000, -0.0000127600000000 ] - [ -0.0001732800000000, -0.0000426200000000, -0.0001505700000000 ] - [ 0.0001732800000000, -0.0000426200000000, -0.0001505700000000 ] - [ 0.0000000000000000, -0.0000098400000000, -0.0000657400000000 ] - [ -0.0004187100000000, -0.0005764400000000, 0.0007934400000000 ] - [ 0.0004187100000000, -0.0005764400000000, 0.0007934400000000 ] - [ 0.0000000000000000, -0.0000445900000000, 0.0001236200000000 ] - [ -0.0004187100000000, -0.0005764400000000, -0.0007934400000000 ] - [ 0.0004187100000000, -0.0005764400000000, -0.0007934400000000 ] - [ 0.0000000000000000, -0.0000445900000000, -0.0001236200000000 ] - [ -0.0001732800000000, -0.0000426200000000, 0.0001505700000000 ] - [ 0.0001732800000000, -0.0000426200000000, 0.0001505700000000 ] - [ 0.0000000000000000, -0.0000098400000000, 0.0000657400000000 ] - [ 0.0000000000000000, 0.0000999600000000, 0.0002280300000000 ] - [ -0.0000829200000000, 0.0001159600000000, 0.0002204000000000 ] - [ 0.0000829200000000, 0.0001159600000000, 0.0002204000000000 ] - [ 0.0000000000000000, -0.0011241100000000, -0.0012304500000000 ] - [ -0.0005933600000000, -0.0004993800000000, -0.0005203900000000 ] - [ 0.0005933600000000, -0.0004993800000000, -0.0005203900000000 ] - [ 0.0000000000000000, -0.0011241100000000, 0.0012304500000000 ] - [ -0.0005933600000000, -0.0004993800000000, 0.0005203900000000 ] - [ 0.0005933600000000, -0.0004993800000000, 0.0005203900000000 ] - [ 0.0000000000000000, 0.0000999600000000, -0.0002280300000000 ] - [ -0.0000829200000000, 0.0001159600000000, -0.0002204000000000 ] - [ 0.0000829200000000, 0.0001159600000000, -0.0002204000000000 ] - [ 0.0000000000000000, -0.0025294800000000, -0.0004763700000000 ] - [ 0.0000490400000000, -0.0020840900000000, -0.0001168100000000 ] - [ -0.0000490400000000, -0.0020840900000000, -0.0001168100000000 ] - [ 0.0000000000000000, -0.0025294800000000, 0.0004763700000000 ] - [ 0.0000490400000000, -0.0020840900000000, 0.0001168100000000 ] - [ -0.0000490400000000, -0.0020840900000000, 0.0001168100000000 ] - [ 0.0008883500000000, 0.0008882500000000, 0.0000000000000000 ] - [ -0.0008883500000000, 0.0008882500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0021370300000000, 0.0000000000000000 ] - [ -0.0000186000000000, 0.0020608100000000, 0.0000000000000000 ] - [ 0.0000186000000000, 0.0020608100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0021015400000000, 0.0000000000000000 ] - [ 0.0001456600000000, -0.0020516700000000, 0.0001049500000000 ] - [ -0.0001456600000000, -0.0020516700000000, 0.0001049500000000 ] - [ 0.0000000000000000, -0.0022210800000000, 0.0000655400000000 ] - [ 0.0001456600000000, -0.0020516700000000, -0.0001049500000000 ] - [ -0.0001456600000000, -0.0020516700000000, -0.0001049500000000 ] - [ 0.0000000000000000, -0.0022210800000000, -0.0000655400000000 ] - [ 0.0000000000000000, 0.0012110700000000, 0.0000000000000000 ] - [ 0.0005474800000000, 0.0014459600000000, 0.0000000000000000 ] - [ -0.0005474800000000, 0.0014459600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0022261200000000, 0.0000000000000000 ] - [ 0.0000476600000000, 0.0021673600000000, 0.0000000000000000 ] - [ -0.0000476600000000, 0.0021673600000000, 0.0000000000000000 ] - [ -0.0030500800000000, -0.0039827200000000, 0.0000000000000000 ] - [ 0.0030500800000000, -0.0039827200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007902900000000, 0.0000000000000000 ] - [ 0.0000640300000000, -0.0007028200000000, 0.0000000000000000 ] - [ -0.0000640300000000, -0.0007028200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007134600000000, 0.0000000000000000 ] - [ 0.0014946300000000, -0.0020388700000000, 0.0001201300000000 ] - [ -0.0014946300000000, -0.0020388700000000, 0.0001201300000000 ] - [ 0.0000000000000000, -0.0006249600000000, 0.0016841100000000 ] - [ -0.0000334100000000, -0.0008170900000000, 0.0014100600000000 ] - [ 0.0000334100000000, -0.0008170900000000, 0.0014100600000000 ] - [ 0.0000000000000000, -0.0007625000000000, 0.0014034900000000 ] - [ 0.0000000000000000, 0.0010372800000000, 0.0011860800000000 ] - [ -0.0001781700000000, 0.0007637400000000, 0.0015168300000000 ] - [ 0.0001781700000000, 0.0007637400000000, 0.0015168300000000 ] - [ 0.0000000000000000, 0.0009134100000000, 0.0009802800000000 ] - [ -0.0000905000000000, 0.0008286900000000, 0.0012976700000000 ] - [ 0.0000905000000000, 0.0008286900000000, 0.0012976700000000 ] - [ 0.0000000000000000, 0.0009134100000000, -0.0009802800000000 ] - [ -0.0000905000000000, 0.0008286900000000, -0.0012976700000000 ] - [ 0.0000905000000000, 0.0008286900000000, -0.0012976700000000 ] - [ 0.0000000000000000, 0.0010372800000000, -0.0011860800000000 ] - [ -0.0001781700000000, 0.0007637400000000, -0.0015168300000000 ] - [ 0.0001781700000000, 0.0007637400000000, -0.0015168300000000 ] - [ 0.0000000000000000, 0.0005676000000000, -0.0002646600000000 ] - [ 0.0001536700000000, 0.0006990600000000, -0.0002510300000000 ] - [ -0.0001536700000000, 0.0006990600000000, -0.0002510300000000 ] - [ 0.0000000000000000, 0.0005676000000000, 0.0002646600000000 ] - [ 0.0001536700000000, 0.0006990600000000, 0.0002510300000000 ] - [ -0.0001536700000000, 0.0006990600000000, 0.0002510300000000 ] - [ 0.0014946300000000, -0.0020388700000000, -0.0001201300000000 ] - [ -0.0014946300000000, -0.0020388700000000, -0.0001201300000000 ] - [ 0.0000000000000000, -0.0006249600000000, -0.0016841100000000 ] - [ -0.0000334100000000, -0.0008170900000000, -0.0014100600000000 ] - [ 0.0000334100000000, -0.0008170900000000, -0.0014100600000000 ] - [ 0.0000000000000000, -0.0007625000000000, -0.0014034900000000 ] - [ 0.0000000000000000, -0.0002357100000000, 0.0000000000000000 ] - [ 0.0003750100000000, -0.0002301300000000, 0.0000000000000000 ] - [ -0.0003750100000000, -0.0002301300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005774100000000, 0.0000000000000000 ] - [ -0.0001082000000000, -0.0006876400000000, 0.0000000000000000 ] - [ 0.0001082000000000, -0.0006876400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000855500000000, 0.0011303100000000 ] - [ -0.0001899800000000, -0.0004006700000000, 0.0013021500000000 ] - [ 0.0001899800000000, -0.0004006700000000, 0.0013021500000000 ] - [ 0.0000000000000000, -0.0010414500000000, 0.0012474700000000 ] - [ -0.0001431100000000, -0.0009087600000000, 0.0014763900000000 ] - [ 0.0001431100000000, -0.0009087600000000, 0.0014763900000000 ] - [ -0.0002608800000000, 0.0007680600000000, 0.0014162900000000 ] - [ 0.0002608800000000, 0.0007680600000000, 0.0014162900000000 ] - [ 0.0000000000000000, 0.0009311000000000, 0.0012043100000000 ] - [ -0.0002389400000000, 0.0006005900000000, 0.0018019900000000 ] - [ 0.0002389400000000, 0.0006005900000000, 0.0018019900000000 ] - [ 0.0000000000000000, 0.0008027600000000, 0.0015316800000000 ] - [ -0.0002389400000000, 0.0006005900000000, -0.0018019900000000 ] - [ 0.0002389400000000, 0.0006005900000000, -0.0018019900000000 ] - [ 0.0000000000000000, 0.0008027600000000, -0.0015316800000000 ] - [ -0.0002608800000000, 0.0007680600000000, -0.0014162900000000 ] - [ 0.0002608800000000, 0.0007680600000000, -0.0014162900000000 ] - [ 0.0000000000000000, 0.0009311000000000, -0.0012043100000000 ] - [ 0.0000885000000000, 0.0009769200000000, 0.0003726200000000 ] - [ -0.0000885000000000, 0.0009769200000000, 0.0003726200000000 ] - [ 0.0000000000000000, 0.0007144000000000, 0.0001821700000000 ] - [ 0.0000885000000000, 0.0009769200000000, -0.0003726200000000 ] - [ -0.0000885000000000, 0.0009769200000000, -0.0003726200000000 ] - [ 0.0000000000000000, 0.0007144000000000, -0.0001821700000000 ] - [ 0.0000000000000000, -0.0000855500000000, -0.0011303100000000 ] - [ -0.0001899800000000, -0.0004006700000000, -0.0013021500000000 ] - [ 0.0001899800000000, -0.0004006700000000, -0.0013021500000000 ] - [ 0.0000000000000000, -0.0010414500000000, -0.0012474700000000 ] - [ -0.0001431100000000, -0.0009087600000000, -0.0014763900000000 ] - [ 0.0001431100000000, -0.0009087600000000, -0.0014763900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0001124900000000, -0.0089761200000000 ] - [ 0.0000019700000000, -0.0000371700000000, -0.0007014200000000 ] - [ -0.0000019700000000, -0.0000371700000000, -0.0007014200000000 ] - [ 0.0000000000000000, -0.0000256700000000, 0.0001084400000000 ] - [ 0.0000010000000000, -0.0000263400000000, 0.0000715000000000 ] - [ -0.0000010000000000, -0.0000263400000000, 0.0000715000000000 ] - [ 0.0001321600000000, -0.0000530000000000, 0.0002837100000000 ] - [ -0.0001321600000000, -0.0000530000000000, 0.0002837100000000 ] - [ 0.0000000000000000, 0.0000027800000000, 0.0000504600000000 ] - [ -0.0001522100000000, 0.0001074200000000, 0.0002861100000000 ] - [ 0.0001522100000000, 0.0001074200000000, 0.0002861100000000 ] - [ 0.0000000000000000, 0.0000410900000000, 0.0000484900000000 ] - [ -0.0000178500000000, -0.0000255200000000, -0.0001253900000000 ] - [ 0.0000178500000000, -0.0000255200000000, -0.0001253900000000 ] - [ 0.0000000000000000, -0.0000414400000000, -0.0000863600000000 ] - [ 0.0000005700000000, -0.0000276700000000, 0.0000752800000000 ] - [ -0.0000005700000000, -0.0000276700000000, 0.0000752800000000 ] - [ 0.0000000000000000, -0.0000385400000000, 0.0000673000000000 ] - [ 0.0000000000000000, 0.0000509900000000, 0.0000326800000000 ] - [ -0.0000071700000000, 0.0000557300000000, 0.0000214800000000 ] - [ 0.0000071700000000, 0.0000557300000000, 0.0000214800000000 ] - [ 0.0000000000000000, 0.0000090400000000, 0.0000385500000000 ] - [ 0.0000387900000000, 0.0000336300000000, 0.0000238700000000 ] - [ -0.0000387900000000, 0.0000336300000000, 0.0000238700000000 ] - [ 0.0001186600000000, 0.0000505700000000, 0.0004083500000000 ] - [ -0.0001186600000000, 0.0000505700000000, 0.0004083500000000 ] - [ 0.0000000000000000, 0.0000307900000000, 0.0002244300000000 ] - [ -0.0007082800000000, -0.0006339900000000, -0.0006685500000000 ] - [ 0.0007082800000000, -0.0006339900000000, -0.0006685500000000 ] - [ 0.0000000000000000, -0.0001859400000000, -0.0002626100000000 ] - [ 0.0006802400000000, 0.0006373100000000, -0.0006750600000000 ] - [ -0.0006802400000000, 0.0006373100000000, -0.0006750600000000 ] - [ 0.0000000000000000, 0.0001813000000000, -0.0002721800000000 ] - [ -0.0001299200000000, -0.0000629400000000, 0.0003999700000000 ] - [ 0.0001299200000000, -0.0000629400000000, 0.0003999700000000 ] - [ 0.0000000000000000, -0.0000512200000000, 0.0002111300000000 ] - [ 0.0000000000000000, 0.0000150200000000, 0.0002629500000000 ] - [ -0.0000053900000000, 0.0000379500000000, 0.0002065400000000 ] - [ 0.0000053900000000, 0.0000379500000000, 0.0002065400000000 ] - [ 0.0000000000000000, 0.0010412400000000, 0.0002067700000000 ] - [ 0.0004650800000000, 0.0004449300000000, 0.0000184000000000 ] - [ -0.0004650800000000, 0.0004449300000000, 0.0000184000000000 ] - [ 0.0000000000000000, -0.0010270300000000, 0.0001980600000000 ] - [ -0.0004473900000000, -0.0004246700000000, 0.0000143500000000 ] - [ 0.0004473900000000, -0.0004246700000000, 0.0000143500000000 ] - [ 0.0000000000000000, 0.0000014000000000, 0.0002616200000000 ] - [ 0.0000186900000000, -0.0000108700000000, 0.0002012000000000 ] - [ -0.0000186900000000, -0.0000108700000000, 0.0002012000000000 ] - [ 0.0000000000000000, -0.0017553000000000, 0.0007926200000000 ] - [ -0.0000510400000000, -0.0021878000000000, 0.0000940200000000 ] - [ 0.0000510400000000, -0.0021878000000000, 0.0000940200000000 ] - [ 0.0000000000000000, -0.0025410700000000, 0.0007977200000000 ] - [ 0.0000647400000000, -0.0021029100000000, 0.0000953900000000 ] - [ -0.0000647400000000, -0.0021029100000000, 0.0000953900000000 ] - [ -0.0000080900000000, 0.0021385400000000, -0.0013919300000000 ] - [ 0.0000080900000000, 0.0021385400000000, -0.0013919300000000 ] - [ 0.0000000000000000, 0.0021340500000000, -0.0002668900000000 ] - [ -0.0000032700000000, 0.0021428600000000, 0.0001078100000000 ] - [ 0.0000032700000000, 0.0021428600000000, 0.0001078100000000 ] - [ 0.0000000000000000, 0.0021433800000000, 0.0000871100000000 ] - [ 0.0000370500000000, -0.0021730400000000, 0.0000763800000000 ] - [ -0.0000370500000000, -0.0021730400000000, 0.0000763800000000 ] - [ 0.0000000000000000, -0.0021665000000000, 0.0000403500000000 ] - [ -0.0000441600000000, -0.0020990300000000, 0.0000781700000000 ] - [ 0.0000441600000000, -0.0020990300000000, 0.0000781700000000 ] - [ 0.0000000000000000, -0.0020842000000000, 0.0000344500000000 ] - [ 0.0000000000000000, 0.0021491000000000, -0.0002417500000000 ] - [ 0.0000018300000000, 0.0021379000000000, -0.0000392200000000 ] - [ -0.0000018300000000, 0.0021379000000000, -0.0000392200000000 ] - [ 0.0000000000000000, 0.0021406500000000, 0.0001385600000000 ] - [ 0.0000017700000000, 0.0021343000000000, 0.0001107500000000 ] - [ -0.0000017700000000, 0.0021343000000000, 0.0001107500000000 ] - [ 0.0000111400000000, -0.0008389500000000, 0.0000949600000000 ] - [ -0.0000111400000000, -0.0008389500000000, 0.0000949600000000 ] - [ 0.0000000000000000, -0.0008483400000000, 0.0002292200000000 ] - [ 0.0000020800000000, -0.0008386300000000, -0.0002295400000000 ] - [ -0.0000020800000000, -0.0008386300000000, -0.0002295400000000 ] - [ 0.0000000000000000, -0.0008364700000000, -0.0001701900000000 ] - [ -0.0018212000000000, 0.0006846700000000, 0.0036372600000000 ] - [ 0.0018212000000000, 0.0006846700000000, 0.0036372600000000 ] - [ 0.0000000000000000, -0.0008509600000000, 0.0015169800000000 ] - [ -0.0000047100000000, -0.0008560500000000, 0.0011919100000000 ] - [ 0.0000047100000000, -0.0008560500000000, 0.0011919100000000 ] - [ 0.0000000000000000, -0.0008649100000000, 0.0012079100000000 ] - [ 0.0000000000000000, 0.0005673100000000, 0.0019919800000000 ] - [ 0.0001187300000000, 0.0007368900000000, 0.0013227100000000 ] - [ -0.0001187300000000, 0.0007368900000000, 0.0013227100000000 ] - [ 0.0000000000000000, 0.0009520300000000, 0.0009753400000000 ] - [ -0.0000339600000000, 0.0008863700000000, 0.0012080300000000 ] - [ 0.0000339600000000, 0.0008863700000000, 0.0012080300000000 ] - [ 0.0000000000000000, 0.0007775100000000, -0.0016440700000000 ] - [ 0.0000326500000000, 0.0008405200000000, -0.0014103900000000 ] - [ -0.0000326500000000, 0.0008405200000000, -0.0014103900000000 ] - [ 0.0000000000000000, 0.0011283300000000, -0.0005928400000000 ] - [ -0.0001198200000000, 0.0009753100000000, -0.0012998700000000 ] - [ 0.0001198200000000, 0.0009753100000000, -0.0012998700000000 ] - [ 0.0000000000000000, 0.0009156800000000, -0.0001550600000000 ] - [ 0.0000172800000000, 0.0008779400000000, -0.0000885700000000 ] - [ -0.0000172800000000, 0.0008779400000000, -0.0000885700000000 ] - [ 0.0000000000000000, 0.0007644800000000, -0.0001550700000000 ] - [ -0.0000246100000000, 0.0007974800000000, -0.0000869700000000 ] - [ 0.0000246100000000, 0.0007974800000000, -0.0000869700000000 ] - [ 0.0017945100000000, -0.0023361700000000, 0.0009796600000000 ] - [ -0.0017945100000000, -0.0023361700000000, 0.0009796600000000 ] - [ 0.0000000000000000, -0.0008300300000000, -0.0011191000000000 ] - [ 0.0000066400000000, -0.0008632100000000, -0.0014281400000000 ] - [ -0.0000066400000000, -0.0008632100000000, -0.0014281400000000 ] - [ 0.0000000000000000, -0.0008580300000000, -0.0014177800000000 ] - [ 0.0000000000000000, -0.0008276300000000, 0.0006501000000000 ] - [ -0.0000178200000000, -0.0008457200000000, 0.0005594400000000 ] - [ 0.0000178200000000, -0.0008457200000000, 0.0005594400000000 ] - [ 0.0000000000000000, -0.0008388600000000, -0.0001767000000000 ] - [ -0.0000063000000000, -0.0008454700000000, -0.0001461100000000 ] - [ 0.0000063000000000, -0.0008454700000000, -0.0001461100000000 ] - [ 0.0000000000000000, -0.0006845200000000, 0.0016157300000000 ] - [ -0.0000571100000000, -0.0007888900000000, 0.0015550200000000 ] - [ 0.0000571100000000, -0.0007888900000000, 0.0015550200000000 ] - [ 0.0000000000000000, -0.0008793600000000, 0.0011554100000000 ] - [ 0.0000121400000000, -0.0008444300000000, 0.0011410100000000 ] - [ -0.0000121400000000, -0.0008444300000000, 0.0011410100000000 ] - [ -0.0000486500000000, 0.0011075400000000, 0.0012590800000000 ] - [ 0.0000486500000000, 0.0011075400000000, 0.0012590800000000 ] - [ 0.0000000000000000, 0.0009620700000000, 0.0013343400000000 ] - [ 0.0000251000000000, 0.0008431100000000, 0.0012276200000000 ] - [ -0.0000251000000000, 0.0008431100000000, 0.0012276200000000 ] - [ 0.0000000000000000, 0.0008213200000000, 0.0012463300000000 ] - [ -0.0000056800000000, 0.0008273500000000, -0.0014252900000000 ] - [ 0.0000056800000000, 0.0008273500000000, -0.0014252900000000 ] - [ 0.0000000000000000, 0.0008062500000000, -0.0014148500000000 ] - [ 0.0000688100000000, 0.0005620400000000, -0.0013921200000000 ] - [ -0.0000688100000000, 0.0005620400000000, -0.0013921200000000 ] - [ 0.0000000000000000, 0.0006596600000000, -0.0013153700000000 ] - [ -0.0002338800000000, 0.0006476500000000, -0.0002206900000000 ] - [ 0.0002338800000000, 0.0006476500000000, -0.0002206900000000 ] - [ 0.0000000000000000, 0.0008306100000000, -0.0000550900000000 ] - [ 0.0002542500000000, 0.0010654400000000, -0.0002282500000000 ] - [ -0.0002542500000000, 0.0010654400000000, -0.0002282500000000 ] - [ 0.0000000000000000, 0.0009015500000000, -0.0000648800000000 ] - [ 0.0000000000000000, -0.0010723100000000, -0.0009799400000000 ] - [ 0.0000180000000000, -0.0009008900000000, -0.0010634800000000 ] - [ -0.0000180000000000, -0.0009008900000000, -0.0010634800000000 ] - [ 0.0000000000000000, -0.0008325500000000, -0.0014575800000000 ] - [ -0.0000283900000000, -0.0008372300000000, -0.0014792900000000 ] - [ 0.0000283900000000, -0.0008372300000000, -0.0014792900000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002175200000000, 0.0014722600000000, 0.0000141100000000 ] - [ 0.0004861500000000, 0.0001160400000000, -0.0002091500000000 ] - [ -0.0003288700000000, -0.0001032900000000, -0.0004375400000000 ] - [ -0.0011769800000000, 0.0002236900000000, -0.0007407700000000 ] - [ 0.0001404500000000, 0.0018912200000000, 0.0001509900000000 ] - [ 0.0009838900000000, -0.0007024500000000, 0.0009671900000000 ] - [ -0.0015055900000000, -0.0000578400000000, -0.0002976300000000 ] - [ 0.0007680400000000, 0.0008760800000000, 0.0003047700000000 ] - [ 0.0005778600000000, -0.0000896100000000, -0.0005511100000000 ] - [ 0.0007446300000000, -0.0002398500000000, 0.0003453900000000 ] - [ -0.0006574500000000, 0.0002467600000000, 0.0001550000000000 ] - [ -0.0001571200000000, 0.0024822800000000, 0.0001261900000000 ] - [ 0.0007446300000000, 0.0002398500000000, -0.0003453900000000 ] - [ -0.0006574500000000, -0.0002467600000000, -0.0001550000000000 ] - [ -0.0001571200000000, -0.0024822800000000, -0.0001261900000000 ] - [ -0.0015055900000000, 0.0000578400000000, 0.0002976300000000 ] - [ 0.0007680400000000, -0.0008760800000000, -0.0003047700000000 ] - [ 0.0005778600000000, 0.0000896100000000, 0.0005511100000000 ] - [ -0.0011769800000000, -0.0002236900000000, 0.0007407700000000 ] - [ 0.0001404500000000, -0.0018912200000000, -0.0001509900000000 ] - [ 0.0009838900000000, 0.0007024500000000, -0.0009671900000000 ] - [ -0.0002175200000000, -0.0014722600000000, -0.0000141100000000 ] - [ 0.0004861500000000, -0.0001160400000000, 0.0002091500000000 ] - [ -0.0003288700000000, 0.0001032900000000, 0.0004375400000000 ] - [ -0.0592063000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0119082100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0118701700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0025408500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0018567100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005230900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002060700000000, 0.0012769700000000, -0.0007009100000000 ] - [ -0.0001985200000000, 0.0010358400000000, 0.0006899700000000 ] - [ 0.0003684000000000, 0.0015287200000000, -0.0016625200000000 ] - [ 0.0002060700000000, -0.0012769700000000, 0.0007009100000000 ] - [ -0.0001985200000000, -0.0010358400000000, -0.0006899700000000 ] - [ 0.0003684000000000, -0.0015287200000000, 0.0016625200000000 ] - [ -0.0011719300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002273400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008892600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001555000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0013323600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0012460600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0004009800000000, -0.0003679300000000, -0.0002136500000000 ] - [ -0.0007811500000000, -0.0007901600000000, -0.0009092800000000 ] - [ 0.0011752700000000, -0.0008386600000000, -0.0013254500000000 ] - [ -0.0004009800000000, 0.0003679300000000, 0.0002136500000000 ] - [ -0.0007811500000000, 0.0007901600000000, 0.0009092800000000 ] - [ 0.0011752700000000, 0.0008386600000000, 0.0013254500000000 ] - [ -0.0010373600000000, -0.0047221900000000, 0.0048526500000000 ] - [ 0.0009283200000000, -0.0022492600000000, 0.0001500300000000 ] - [ -0.0000971800000000, 0.0007773900000000, -0.0048255900000000 ] - [ -0.0001242000000000, -0.0019263800000000, -0.0000562900000000 ] - [ -0.0001845000000000, -0.0030023900000000, -0.0000854400000000 ] - [ 0.0003660100000000, -0.0030141400000000, 0.0001796000000000 ] - [ 0.0011910200000000, 0.0017780500000000, -0.0004105600000000 ] - [ -0.0005987900000000, 0.0015470800000000, -0.0000585700000000 ] - [ -0.0005552500000000, 0.0021943800000000, -0.0010731700000000 ] - [ -0.0003001300000000, 0.0026160100000000, 0.0004737000000000 ] - [ 0.0003192100000000, 0.0027586100000000, -0.0000544400000000 ] - [ 0.0000127300000000, 0.0030842400000000, 0.0012820200000000 ] - [ -0.0003001300000000, -0.0026160100000000, -0.0004737000000000 ] - [ 0.0003192100000000, -0.0027586100000000, 0.0000544400000000 ] - [ 0.0000127300000000, -0.0030842400000000, -0.0012820200000000 ] - [ 0.0011910200000000, -0.0017780500000000, 0.0004105600000000 ] - [ -0.0005987900000000, -0.0015470800000000, 0.0000585700000000 ] - [ -0.0005552500000000, -0.0021943800000000, 0.0010731700000000 ] - [ -0.0001242000000000, 0.0019263800000000, 0.0000562900000000 ] - [ -0.0001845000000000, 0.0030023900000000, 0.0000854400000000 ] - [ 0.0003660100000000, 0.0030141400000000, -0.0001796000000000 ] - [ -0.0010373600000000, 0.0047221900000000, -0.0048526500000000 ] - [ 0.0009283200000000, 0.0022492600000000, -0.0001500300000000 ] - [ -0.0000971800000000, -0.0007773900000000, 0.0048255900000000 ] - [ -0.0007344900000000, -0.0002552700000000, -0.0000598500000000 ] - [ 0.0008268100000000, -0.0000320900000000, -0.0002099700000000 ] - [ -0.0000210600000000, -0.0004589200000000, 0.0003488700000000 ] - [ 0.0018934200000000, -0.0012587500000000, 0.0002513400000000 ] - [ 0.0000947500000000, -0.0008014900000000, 0.0012988300000000 ] - [ -0.0011957400000000, 0.0006985400000000, -0.0012188900000000 ] - [ -0.0004434600000000, -0.0020761300000000, 0.0014536200000000 ] - [ 0.0004432300000000, -0.0017922600000000, 0.0012447900000000 ] - [ 0.0000120100000000, -0.0029460800000000, 0.0017257400000000 ] - [ 0.0000186000000000, -0.0008710700000000, 0.0013477700000000 ] - [ 0.0008073500000000, -0.0024852000000000, 0.0009611500000000 ] - [ -0.0008504800000000, -0.0022483300000000, 0.0004448300000000 ] - [ 0.0001084100000000, 0.0019349700000000, -0.0008367600000000 ] - [ -0.0005056200000000, 0.0014591800000000, 0.0015799500000000 ] - [ 0.0002349600000000, 0.0011233000000000, 0.0030203200000000 ] - [ -0.0002736500000000, 0.0024570000000000, 0.0007507300000000 ] - [ 0.0015160300000000, 0.0046276500000000, -0.0000878000000000 ] - [ -0.0011261400000000, 0.0051069800000000, -0.0007318600000000 ] - [ 0.0108264900000000, 0.0134542800000000, 0.0005451800000000 ] - [ -0.0045962600000000, 0.0015041800000000, -0.0014868600000000 ] - [ 0.0106865300000000, -0.0105758200000000, -0.0021994500000000 ] - [ -0.0003831200000000, 0.0027118700000000, -0.0011694300000000 ] - [ 0.0017568300000000, 0.0045580900000000, -0.0000561800000000 ] - [ -0.0014252300000000, 0.0050504300000000, 0.0004654200000000 ] - [ -0.0001756500000000, 0.0007947100000000, -0.0000603300000000 ] - [ -0.0001276500000000, 0.0009091200000000, 0.0002369200000000 ] - [ 0.0003116400000000, 0.0009733100000000, 0.0002390900000000 ] - [ -0.0002433200000000, -0.0004472900000000, -0.0000212900000000 ] - [ 0.0019554600000000, -0.0013784500000000, -0.0002301100000000 ] - [ -0.0017458900000000, -0.0018155400000000, -0.0002043800000000 ] - [ -0.0002951200000000, -0.0017106700000000, -0.0012327700000000 ] - [ 0.0003109300000000, -0.0016332100000000, -0.0010587400000000 ] - [ 0.0000075200000000, -0.0016859100000000, -0.0003288800000000 ] - [ -0.0002194400000000, -0.0014077100000000, -0.0016672500000000 ] - [ 0.0010306200000000, -0.0026095900000000, -0.0010487000000000 ] - [ -0.0007992300000000, -0.0038749000000000, -0.0021543300000000 ] - [ -0.0002433200000000, 0.0004472900000000, 0.0000212900000000 ] - [ 0.0019554600000000, 0.0013784500000000, 0.0002301100000000 ] - [ -0.0017458900000000, 0.0018155400000000, 0.0002043800000000 ] - [ -0.0001756500000000, -0.0007947100000000, 0.0000603300000000 ] - [ -0.0001276500000000, -0.0009091200000000, -0.0002369200000000 ] - [ 0.0003116400000000, -0.0009733100000000, -0.0002390900000000 ] - [ -0.0003831200000000, -0.0027118700000000, 0.0011694300000000 ] - [ 0.0017568300000000, -0.0045580900000000, 0.0000561800000000 ] - [ -0.0014252300000000, -0.0050504300000000, -0.0004654200000000 ] - [ 0.0108264900000000, -0.0134542800000000, -0.0005451800000000 ] - [ -0.0045962600000000, -0.0015041800000000, 0.0014868600000000 ] - [ 0.0106865300000000, 0.0105758200000000, 0.0021994500000000 ] - [ -0.0002194400000000, 0.0014077100000000, 0.0016672500000000 ] - [ 0.0010306200000000, 0.0026095900000000, 0.0010487000000000 ] - [ -0.0007992300000000, 0.0038749000000000, 0.0021543300000000 ] - [ -0.0002951200000000, 0.0017106700000000, 0.0012327700000000 ] - [ 0.0003109300000000, 0.0016332100000000, 0.0010587400000000 ] - [ 0.0000075200000000, 0.0016859100000000, 0.0003288800000000 ] - [ 0.0000186000000000, 0.0008710700000000, -0.0013477700000000 ] - [ 0.0008073500000000, 0.0024852000000000, -0.0009611500000000 ] - [ -0.0008504800000000, 0.0022483300000000, -0.0004448300000000 ] - [ -0.0004434600000000, 0.0020761300000000, -0.0014536200000000 ] - [ 0.0004432300000000, 0.0017922600000000, -0.0012447900000000 ] - [ 0.0000120100000000, 0.0029460800000000, -0.0017257400000000 ] - [ 0.0018934200000000, 0.0012587500000000, -0.0002513400000000 ] - [ 0.0000947500000000, 0.0008014900000000, -0.0012988300000000 ] - [ -0.0011957400000000, -0.0006985400000000, 0.0012188900000000 ] - [ -0.0007344900000000, 0.0002552700000000, 0.0000598500000000 ] - [ 0.0008268100000000, 0.0000320900000000, 0.0002099700000000 ] - [ -0.0000210600000000, 0.0004589200000000, -0.0003488700000000 ] - [ -0.0002736500000000, -0.0024570000000000, -0.0007507300000000 ] - [ 0.0015160300000000, -0.0046276500000000, 0.0000878000000000 ] - [ -0.0011261400000000, -0.0051069800000000, 0.0007318600000000 ] - [ 0.0001084100000000, -0.0019349700000000, 0.0008367600000000 ] - [ -0.0005056200000000, -0.0014591800000000, -0.0015799500000000 ] - [ 0.0002349600000000, -0.0011233000000000, -0.0030203200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000081600000000, 0.0000382100000000, 0.0000540100000000 ] - [ 0.0000000000000000, 0.0000174600000000, 0.0000402400000000 ] - [ -0.0000081600000000, 0.0000382100000000, 0.0000540100000000 ] - [ 0.0002617300000000, 0.0004444800000000, -0.0006337000000000 ] - [ 0.0000000000000000, -0.0000576100000000, -0.0001820700000000 ] - [ -0.0002617300000000, 0.0004444800000000, -0.0006337000000000 ] - [ 0.0000000000000000, 0.0011833200000000, 0.0010425900000000 ] - [ 0.0003814500000000, 0.0005458700000000, 0.0004397100000000 ] - [ -0.0003814500000000, 0.0005458700000000, 0.0004397100000000 ] - [ 0.0000000000000000, -0.0000152400000000, 0.0000030600000000 ] - [ 0.0000213500000000, -0.0000221700000000, 0.0000191200000000 ] - [ -0.0000213500000000, -0.0000221700000000, 0.0000191200000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0000028800000000 ] - [ -0.0000232200000000, -0.0000111400000000, 0.0000184500000000 ] - [ 0.0000232200000000, -0.0000111400000000, 0.0000184500000000 ] - [ 0.0000000000000000, 0.0011878100000000, 0.0010323300000000 ] - [ -0.0003795400000000, 0.0005603700000000, 0.0004407300000000 ] - [ 0.0003795400000000, 0.0005603700000000, 0.0004407300000000 ] - [ -0.0002605600000000, 0.0004246400000000, -0.0006324400000000 ] - [ 0.0000000000000000, -0.0000759700000000, -0.0001833000000000 ] - [ 0.0002605600000000, 0.0004246400000000, -0.0006324400000000 ] - [ -0.0000078100000000, 0.0000283800000000, 0.0000553900000000 ] - [ 0.0000000000000000, 0.0000047600000000, 0.0000407700000000 ] - [ 0.0000078100000000, 0.0000283800000000, 0.0000553900000000 ] - [ 0.0000000000000000, -0.0576901000000000, 0.0012399900000000 ] - [ -0.0000007600000000, -0.0079167700000000, -0.0035832000000000 ] - [ 0.0000007600000000, -0.0079167700000000, -0.0035832000000000 ] - [ 0.0000000000000000, 0.0000425100000000, 0.0000460800000000 ] - [ 0.0000007000000000, 0.0000281300000000, 0.0002077900000000 ] - [ -0.0000007000000000, 0.0000281300000000, 0.0002077900000000 ] - [ 0.0000000000000000, -0.0008691600000000, -0.0013684500000000 ] - [ 0.0002386100000000, -0.0001430000000000, 0.0004372800000000 ] - [ -0.0002386100000000, -0.0001430000000000, 0.0004372800000000 ] - [ 0.0000000000000000, -0.0008623300000000, -0.0013698600000000 ] - [ -0.0002375000000000, -0.0001447200000000, 0.0004317400000000 ] - [ 0.0002375000000000, -0.0001447200000000, 0.0004317400000000 ] - [ -0.0000000600000000, 0.0004823300000000, 0.0000347000000000 ] - [ 0.0000000000000000, 0.0002685800000000, -0.0000272500000000 ] - [ 0.0000000600000000, 0.0004823300000000, 0.0000347000000000 ] - [ 0.0000000800000000, 0.0000090400000000, 0.0000739900000000 ] - [ 0.0000000000000000, 0.0000027000000000, 0.0000618600000000 ] - [ -0.0000000800000000, 0.0000090400000000, 0.0000739900000000 ] - [ -0.0000255900000000, 0.0000861900000000, 0.0000164500000000 ] - [ 0.0000000000000000, 0.0000356500000000, 0.0000186200000000 ] - [ 0.0000255900000000, 0.0000861900000000, 0.0000164500000000 ] - [ 0.0000251300000000, 0.0000855800000000, 0.0000141700000000 ] - [ 0.0000000000000000, 0.0000355200000000, 0.0000166400000000 ] - [ -0.0000251300000000, 0.0000855800000000, 0.0000141700000000 ] - [ -0.0019226600000000, -0.0060877600000000, 0.0037176100000000 ] - [ 0.0000000000000000, -0.0023437400000000, 0.0003301700000000 ] - [ 0.0019226600000000, -0.0060877600000000, 0.0037176100000000 ] - [ 0.0000028400000000, -0.0022308500000000, -0.0000225200000000 ] - [ 0.0000000000000000, -0.0020865400000000, 0.0000709400000000 ] - [ -0.0000028400000000, -0.0022308500000000, -0.0000225200000000 ] - [ 0.0000000000000000, 0.0021672600000000, 0.0000658300000000 ] - [ 0.0000009100000000, 0.0021523500000000, 0.0000443000000000 ] - [ -0.0000009100000000, 0.0021523500000000, 0.0000443000000000 ] - [ 0.0000000000000000, 0.0023287400000000, -0.0002294600000000 ] - [ -0.0000371100000000, 0.0022523000000000, -0.0001201000000000 ] - [ 0.0000371100000000, 0.0022523000000000, -0.0001201000000000 ] - [ 0.0000000000000000, -0.0019583500000000, -0.0002298300000000 ] - [ 0.0000376700000000, -0.0020350500000000, -0.0001207000000000 ] - [ -0.0000376700000000, -0.0020350500000000, -0.0001207000000000 ] - [ 0.0000000000000000, -0.0021202400000000, 0.0000656700000000 ] - [ -0.0000010000000000, -0.0021353100000000, 0.0000441200000000 ] - [ 0.0000010000000000, -0.0021353100000000, 0.0000441200000000 ] - [ -0.0000030600000000, 0.0020552500000000, -0.0000225700000000 ] - [ 0.0000000000000000, 0.0022000100000000, 0.0000716000000000 ] - [ 0.0000030600000000, 0.0020552500000000, -0.0000225700000000 ] - [ 0.0019125300000000, -0.0017828100000000, 0.0037129200000000 ] - [ 0.0000000000000000, 0.0019422100000000, 0.0003325100000000 ] - [ -0.0019125300000000, -0.0017828100000000, 0.0037129200000000 ] - [ 0.0000000000000000, -0.0005812000000000, 0.0003417500000000 ] - [ -0.0000186300000000, -0.0007799300000000, -0.0001233200000000 ] - [ 0.0000186300000000, -0.0007799300000000, -0.0001233200000000 ] - [ 0.0000000000000000, 0.0047464900000000, -0.0082434600000000 ] - [ 0.0004962100000000, 0.0005721000000000, -0.0003271000000000 ] - [ -0.0004962100000000, 0.0005721000000000, -0.0003271000000000 ] - [ 0.0000000000000000, -0.0008659400000000, 0.0012669900000000 ] - [ -0.0000015500000000, -0.0008622400000000, 0.0012755600000000 ] - [ 0.0000015500000000, -0.0008622400000000, 0.0012755600000000 ] - [ 0.0000000000000000, -0.0014492900000000, 0.0014719200000000 ] - [ -0.0000397500000000, -0.0011646200000000, 0.0014141100000000 ] - [ 0.0000397500000000, -0.0011646200000000, 0.0014141100000000 ] - [ 0.0004817800000000, 0.0018896400000000, 0.0005288000000000 ] - [ 0.0000000000000000, 0.0010931200000000, 0.0013325400000000 ] - [ -0.0004817800000000, 0.0018896400000000, 0.0005288000000000 ] - [ -0.0001746700000000, 0.0009560000000000, 0.0013921800000000 ] - [ 0.0000000000000000, 0.0008537300000000, 0.0010294900000000 ] - [ 0.0001746700000000, 0.0009560000000000, 0.0013921800000000 ] - [ 0.0100032700000000, 0.0167708200000000, 0.0011637800000000 ] - [ 0.0000000000000000, 0.0021887000000000, -0.0009030000000000 ] - [ -0.0100032700000000, 0.0167708200000000, 0.0011637800000000 ] - [ -0.0000039800000000, 0.0008703500000000, -0.0013427000000000 ] - [ 0.0000000000000000, 0.0008590000000000, -0.0014639100000000 ] - [ 0.0000039800000000, 0.0008703500000000, -0.0013427000000000 ] - [ 0.0000075300000000, 0.0005621600000000, 0.0000768300000000 ] - [ 0.0000000000000000, 0.0006340900000000, 0.0000793100000000 ] - [ -0.0000075300000000, 0.0005621600000000, 0.0000768300000000 ] - [ 0.0000026600000000, 0.0008201200000000, -0.0000445500000000 ] - [ 0.0000000000000000, 0.0008361800000000, -0.0000366300000000 ] - [ -0.0000026600000000, 0.0008201200000000, -0.0000445500000000 ] - [ 0.0000000000000000, -0.0009533700000000, -0.0013648600000000 ] - [ 0.0000008000000000, -0.0009066700000000, -0.0013384400000000 ] - [ -0.0000008000000000, -0.0009066700000000, -0.0013384400000000 ] - [ 0.0000000000000000, -0.0010307100000000, -0.0012443100000000 ] - [ -0.0000301400000000, -0.0009400500000000, -0.0012940600000000 ] - [ 0.0000301400000000, -0.0009400500000000, -0.0012940600000000 ] - [ -0.0000025600000000, -0.0008718200000000, -0.0000423900000000 ] - [ 0.0000000000000000, -0.0008558500000000, -0.0000342500000000 ] - [ 0.0000025600000000, -0.0008718200000000, -0.0000423900000000 ] - [ -0.0000083400000000, -0.0011320000000000, 0.0000788000000000 ] - [ 0.0000000000000000, -0.0010603400000000, 0.0000810600000000 ] - [ 0.0000083400000000, -0.0011320000000000, 0.0000788000000000 ] - [ 0.0000036800000000, -0.0008440200000000, 0.0012776000000000 ] - [ 0.0000000000000000, -0.0008551500000000, 0.0011558000000000 ] - [ -0.0000036800000000, -0.0008440200000000, 0.0012776000000000 ] - [ -0.0096166600000000, 0.0147668800000000, 0.0036757400000000 ] - [ 0.0000000000000000, 0.0004848000000000, 0.0017203400000000 ] - [ 0.0096166600000000, 0.0147668800000000, 0.0036757400000000 ] - [ 0.0000000000000000, 0.0006830800000000, 0.0013756000000000 ] - [ 0.0000304500000000, 0.0007739500000000, 0.0013263600000000 ] - [ -0.0000304500000000, 0.0007739500000000, 0.0013263600000000 ] - [ 0.0000000000000000, 0.0007614700000000, 0.0012553800000000 ] - [ -0.0000007300000000, 0.0008080800000000, 0.0012815700000000 ] - [ 0.0000007300000000, 0.0008080800000000, 0.0012815700000000 ] - [ 0.0000000000000000, 0.0002648000000000, -0.0011477700000000 ] - [ 0.0000392100000000, 0.0005493200000000, -0.0012053300000000 ] - [ -0.0000392100000000, 0.0005493200000000, -0.0012053300000000 ] - [ 0.0000000000000000, 0.0008489400000000, -0.0013537400000000 ] - [ 0.0000016700000000, 0.0008527100000000, -0.0013450500000000 ] - [ -0.0000016700000000, 0.0008527100000000, -0.0013450500000000 ] - [ 0.0000000000000000, 0.0064847200000000, -0.0082218400000000 ] - [ -0.0005021500000000, 0.0022711800000000, -0.0003362200000000 ] - [ 0.0005021500000000, 0.0022711800000000, -0.0003362200000000 ] - [ 0.0000000000000000, 0.0011098700000000, 0.0003393500000000 ] - [ 0.0000185900000000, 0.0009120300000000, -0.0001248600000000 ] - [ -0.0000185900000000, 0.0009120300000000, -0.0001248600000000 ] - [ 0.0001746800000000, -0.0007580900000000, -0.0012276800000000 ] - [ 0.0000000000000000, -0.0008605500000000, -0.0015924500000000 ] - [ -0.0001746800000000, -0.0007580900000000, -0.0012276800000000 ] - [ -0.0004798000000000, 0.0001737100000000, -0.0020904800000000 ] - [ 0.0000000000000000, -0.0006202000000000, -0.0012877900000000 ] - [ 0.0004798000000000, 0.0001737100000000, -0.0020904800000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000242100000000, 0.0002172900000000, 0.0003994400000000 ] - [ 0.0000000000000000, 0.0000802700000000, 0.0002119800000000 ] - [ -0.0000242100000000, 0.0002172900000000, 0.0003994400000000 ] - [ -0.0006034100000000, -0.0008123600000000, -0.0006699700000000 ] - [ 0.0000000000000000, -0.0002362800000000, -0.0002641900000000 ] - [ 0.0006034100000000, -0.0008123600000000, -0.0006699700000000 ] - [ 0.0000000000000000, 0.0011693300000000, 0.0002012200000000 ] - [ 0.0003393800000000, 0.0005539600000000, 0.0000154500000000 ] - [ -0.0003393800000000, 0.0005539600000000, 0.0000154500000000 ] - [ 0.0000000000000000, -0.0002088400000000, 0.0002629400000000 ] - [ -0.0000514900000000, -0.0001626500000000, 0.0002026200000000 ] - [ 0.0000514900000000, -0.0001626500000000, 0.0002026200000000 ] - [ 0.0000000000000000, -0.0002506500000000, 0.0002610800000000 ] - [ 0.0000518200000000, -0.0002089300000000, 0.0002014600000000 ] - [ -0.0000518200000000, -0.0002089300000000, 0.0002014600000000 ] - [ 0.0000000000000000, 0.0011198500000000, 0.0002003000000000 ] - [ -0.0003383700000000, 0.0005084700000000, 0.0000167700000000 ] - [ 0.0003383700000000, 0.0005084700000000, 0.0000167700000000 ] - [ 0.0006066700000000, -0.0007680400000000, -0.0006692100000000 ] - [ 0.0000000000000000, -0.0001877500000000, -0.0002645400000000 ] - [ -0.0006066700000000, -0.0007680400000000, -0.0006692100000000 ] - [ -0.0000177100000000, 0.0002597100000000, 0.0003996600000000 ] - [ 0.0000000000000000, 0.0001278400000000, 0.0002119200000000 ] - [ 0.0000177100000000, 0.0002597100000000, 0.0003996600000000 ] - [ 0.0000000000000000, 0.0012478100000000, -0.0561614600000000 ] - [ -0.0000074100000000, -0.0035825700000000, -0.0033677900000000 ] - [ 0.0000074100000000, -0.0035825700000000, -0.0033677900000000 ] - [ 0.0000000000000000, 0.0000449600000000, 0.0020589200000000 ] - [ -0.0000011500000000, 0.0002057700000000, 0.0013548400000000 ] - [ 0.0000011500000000, 0.0002057700000000, 0.0013548400000000 ] - [ 0.0000000000000000, 0.0013646500000000, 0.0073115700000000 ] - [ 0.0010742700000000, -0.0004354300000000, 0.0005659700000000 ] - [ -0.0010742700000000, -0.0004354300000000, 0.0005659700000000 ] - [ 0.0000000000000000, 0.0013732400000000, 0.0072840900000000 ] - [ -0.0010811600000000, -0.0004344800000000, 0.0005696400000000 ] - [ 0.0010811600000000, -0.0004344800000000, 0.0005696400000000 ] - [ -0.0000001500000000, 0.0000358900000000, -0.0004553000000000 ] - [ 0.0000000000000000, -0.0000269500000000, -0.0003749300000000 ] - [ 0.0000001500000000, 0.0000358900000000, -0.0004553000000000 ] - [ 0.0000039600000000, 0.0000786200000000, 0.0004685400000000 ] - [ 0.0000000000000000, 0.0000677100000000, 0.0004547600000000 ] - [ -0.0000039600000000, 0.0000786200000000, 0.0004685400000000 ] - [ 0.0000821000000000, -0.0000107600000000, 0.0000285000000000 ] - [ 0.0000000000000000, -0.0000122600000000, -0.0000222400000000 ] - [ -0.0000821000000000, -0.0000107600000000, 0.0000285000000000 ] - [ -0.0000771000000000, -0.0000151400000000, 0.0000291800000000 ] - [ 0.0000000000000000, -0.0000156000000000, -0.0000211700000000 ] - [ 0.0000771000000000, -0.0000151400000000, 0.0000291800000000 ] - [ 0.0049092500000000, 0.0007885500000000, 0.0010190100000000 ] - [ 0.0000000000000000, -0.0013213800000000, -0.0001608800000000 ] - [ -0.0049092500000000, 0.0007885500000000, 0.0010190100000000 ] - [ -0.0000263600000000, -0.0020019000000000, 0.0007267500000000 ] - [ 0.0000000000000000, -0.0022860000000000, 0.0003097500000000 ] - [ 0.0000263600000000, -0.0020019000000000, 0.0007267500000000 ] - [ 0.0000000000000000, 0.0021560500000000, 0.0002407500000000 ] - [ -0.0000039900000000, 0.0021307100000000, 0.0002140500000000 ] - [ 0.0000039900000000, 0.0021307100000000, 0.0002140500000000 ] - [ 0.0000000000000000, 0.0021575500000000, -0.0003141200000000 ] - [ -0.0000490000000000, 0.0021649200000000, -0.0002457200000000 ] - [ 0.0000490000000000, 0.0021649200000000, -0.0002457200000000 ] - [ 0.0000000000000000, -0.0021294000000000, -0.0003147300000000 ] - [ 0.0000489300000000, -0.0021229000000000, -0.0002471800000000 ] - [ -0.0000489300000000, -0.0021229000000000, -0.0002471800000000 ] - [ 0.0000000000000000, -0.0021311100000000, 0.0002406000000000 ] - [ 0.0000008800000000, -0.0021579900000000, 0.0002147000000000 ] - [ -0.0000008800000000, -0.0021579900000000, 0.0002147000000000 ] - [ 0.0000320700000000, 0.0022851700000000, 0.0007243500000000 ] - [ 0.0000000000000000, 0.0019983500000000, 0.0003113400000000 ] - [ -0.0000320700000000, 0.0022851700000000, 0.0007243500000000 ] - [ -0.0048573900000000, 0.0050299300000000, 0.0010108700000000 ] - [ 0.0000000000000000, 0.0029574100000000, -0.0001601100000000 ] - [ 0.0048573900000000, 0.0050299300000000, 0.0010108700000000 ] - [ 0.0000000000000000, -0.0009821200000000, -0.0021287300000000 ] - [ -0.0002069000000000, -0.0008603700000000, -0.0007968900000000 ] - [ 0.0002069000000000, -0.0008603700000000, -0.0007968900000000 ] - [ 0.0000000000000000, -0.0105261100000000, 0.0188941300000000 ] - [ 0.0007588700000000, -0.0007399300000000, 0.0008847600000000 ] - [ -0.0007588700000000, -0.0007399300000000, 0.0008847600000000 ] - [ 0.0000000000000000, -0.0009505000000000, 0.0010211300000000 ] - [ -0.0000266600000000, -0.0009015700000000, 0.0010528400000000 ] - [ 0.0000266600000000, -0.0009015700000000, 0.0010528400000000 ] - [ 0.0000000000000000, -0.0008357600000000, 0.0017233500000000 ] - [ 0.0000550200000000, -0.0008256800000000, 0.0016724700000000 ] - [ -0.0000550200000000, -0.0008256800000000, 0.0016724700000000 ] - [ -0.0014107400000000, -0.0003591900000000, -0.0002202000000000 ] - [ 0.0000000000000000, 0.0008051500000000, 0.0015089200000000 ] - [ 0.0014107400000000, -0.0003591900000000, -0.0002202000000000 ] - [ 0.0005954100000000, 0.0008699400000000, 0.0001664600000000 ] - [ 0.0000000000000000, 0.0009729900000000, 0.0009118200000000 ] - [ -0.0005954100000000, 0.0008699400000000, 0.0001664600000000 ] - [ 0.0016177400000000, 0.0042845500000000, 0.0017586800000000 ] - [ 0.0000000000000000, 0.0012808900000000, -0.0004609100000000 ] - [ -0.0016177400000000, 0.0042845500000000, 0.0017586800000000 ] - [ -0.0000050300000000, 0.0008270700000000, -0.0021472700000000 ] - [ 0.0000000000000000, 0.0008693500000000, -0.0019262300000000 ] - [ 0.0000050300000000, 0.0008270700000000, -0.0021472700000000 ] - [ -0.0000284400000000, 0.0007103900000000, 0.0002574500000000 ] - [ 0.0000000000000000, 0.0007450600000000, 0.0002616600000000 ] - [ 0.0000284400000000, 0.0007103900000000, 0.0002574500000000 ] - [ 0.0000168000000000, 0.0008613200000000, -0.0002496600000000 ] - [ 0.0000000000000000, 0.0008588900000000, -0.0002436100000000 ] - [ -0.0000168000000000, 0.0008613200000000, -0.0002496600000000 ] - [ 0.0000000000000000, -0.0010052700000000, -0.0014367200000000 ] - [ -0.0000429300000000, -0.0009552800000000, -0.0014317700000000 ] - [ 0.0000429300000000, -0.0009552800000000, -0.0014317700000000 ] - [ 0.0000000000000000, -0.0006321100000000, -0.0012542000000000 ] - [ 0.0000552500000000, -0.0007285300000000, -0.0012637800000000 ] - [ -0.0000552500000000, -0.0007285300000000, -0.0012637800000000 ] - [ -0.0000134700000000, -0.0008420900000000, -0.0002476000000000 ] - [ 0.0000000000000000, -0.0008373800000000, -0.0002416500000000 ] - [ 0.0000134700000000, -0.0008420900000000, -0.0002476000000000 ] - [ 0.0000294400000000, -0.0009880600000000, 0.0002592100000000 ] - [ 0.0000000000000000, -0.0009536100000000, 0.0002631800000000 ] - [ -0.0000294400000000, -0.0009880600000000, 0.0002592100000000 ] - [ 0.0000108600000000, -0.0008529400000000, 0.0004826500000000 ] - [ 0.0000000000000000, -0.0008083900000000, 0.0006878800000000 ] - [ -0.0000108600000000, -0.0008529400000000, 0.0004826500000000 ] - [ -0.0016848800000000, 0.0026807900000000, 0.0043982100000000 ] - [ 0.0000000000000000, -0.0003978900000000, 0.0021504700000000 ] - [ 0.0016848800000000, 0.0026807900000000, 0.0043982100000000 ] - [ 0.0000000000000000, 0.0010482200000000, 0.0013605300000000 ] - [ -0.0000550400000000, 0.0009520800000000, 0.0013530100000000 ] - [ 0.0000550400000000, 0.0009520800000000, 0.0013530100000000 ] - [ 0.0000000000000000, 0.0007161800000000, 0.0011539700000000 ] - [ 0.0000258000000000, 0.0007466800000000, 0.0011733400000000 ] - [ -0.0000258000000000, 0.0007466800000000, 0.0011733400000000 ] - [ 0.0000000000000000, 0.0008454600000000, -0.0008938200000000 ] - [ -0.0000551300000000, 0.0008554400000000, -0.0009432300000000 ] - [ 0.0000551300000000, 0.0008554400000000, -0.0009432300000000 ] - [ 0.0000000000000000, 0.0007696300000000, -0.0015665000000000 ] - [ 0.0000101400000000, 0.0007996300000000, -0.0015526900000000 ] - [ -0.0000101400000000, 0.0007996300000000, -0.0015526900000000 ] - [ 0.0000000000000000, -0.0091934400000000, 0.0198500500000000 ] - [ -0.0007619500000000, 0.0009548200000000, 0.0008858400000000 ] - [ 0.0007619500000000, 0.0009548200000000, 0.0008858400000000 ] - [ 0.0000000000000000, 0.0006861600000000, -0.0021323300000000 ] - [ 0.0002006600000000, 0.0008235100000000, -0.0007987200000000 ] - [ -0.0002006600000000, 0.0008235100000000, -0.0007987200000000 ] - [ -0.0005872500000000, -0.0008035200000000, -0.0024568900000000 ] - [ 0.0000000000000000, -0.0007050600000000, -0.0017024200000000 ] - [ 0.0005872500000000, -0.0008035200000000, -0.0024568900000000 ] - [ 0.0014077900000000, -0.0020331900000000, -0.0028420500000000 ] - [ 0.0000000000000000, -0.0008724900000000, -0.0011043500000000 ] - [ -0.0014077900000000, -0.0020331900000000, -0.0028420500000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001323800000000, -0.0000241800000000, 0.0000031600000000 ] - [ -0.0000204100000000, 0.0000184600000000, 0.0000604400000000 ] - [ -0.0000218300000000, -0.0000652600000000, -0.0000573700000000 ] - [ 0.0001323800000000, -0.0000241800000000, -0.0000031600000000 ] - [ -0.0000204100000000, 0.0000184600000000, -0.0000604400000000 ] - [ -0.0000218300000000, -0.0000652600000000, 0.0000573700000000 ] - [ 0.0001549100000000, -0.0008660400000000, 0.0000000000000000 ] - [ 0.0001748400000000, 0.0008914200000000, 0.0000000000000000 ] - [ 0.0002350900000000, 0.0000271200000000, 0.0000000000000000 ] - [ 0.0000012000000000, 0.0000235700000000, 0.0000000000000000 ] - [ -0.0000000300000000, 0.0000222600000000, 0.0000000000000000 ] - [ -0.0000033000000000, 0.0000228600000000, 0.0000000000000000 ] - [ -0.0000299500000000, -0.0000094500000000, -0.0000381200000000 ] - [ -0.0000520600000000, -0.0000488300000000, 0.0000435300000000 ] - [ 0.0000768300000000, -0.0000128400000000, 0.0000049600000000 ] - [ -0.0000299500000000, -0.0000094500000000, 0.0000381200000000 ] - [ -0.0000520600000000, -0.0000488300000000, -0.0000435300000000 ] - [ 0.0000768300000000, -0.0000128400000000, -0.0000049600000000 ] - [ -0.0010462400000000, 0.0000237200000000, 0.0000000000000000 ] - [ 0.0003640400000000, -0.0005596300000000, 0.0000000000000000 ] - [ 0.0003651800000000, 0.0006118800000000, 0.0000000000000000 ] - [ -0.0000404700000000, 0.0000223000000000, 0.0000000000000000 ] - [ 0.0000367500000000, 0.0000109900000000, 0.0000000000000000 ] - [ 0.0000008300000000, 0.0000753600000000, 0.0000000000000000 ] - [ -0.0006397200000000, -0.0019313600000000, 0.0048676600000000 ] - [ -0.0006279600000000, 0.0019047100000000, -0.0049004000000000 ] - [ 0.0010434800000000, -0.0000098900000000, -0.0000011200000000 ] - [ -0.0000028100000000, -0.0000029700000000, -0.0000195900000000 ] - [ -0.0000124000000000, -0.0000003100000000, 0.0000266900000000 ] - [ 0.0000771000000000, -0.0000034000000000, 0.0000083500000000 ] - [ -0.0006397200000000, -0.0019313600000000, -0.0048676600000000 ] - [ -0.0006279600000000, 0.0019047100000000, 0.0049004000000000 ] - [ 0.0010434800000000, -0.0000098900000000, 0.0000011200000000 ] - [ -0.0000028100000000, -0.0000029700000000, 0.0000195900000000 ] - [ -0.0000124000000000, -0.0000003100000000, -0.0000266900000000 ] - [ 0.0000771000000000, -0.0000034000000000, -0.0000083500000000 ] - [ -0.0001110000000000, 0.0000033800000000, -0.0000077900000000 ] - [ 0.0000549600000000, -0.0000369900000000, -0.0000533800000000 ] - [ 0.0000541200000000, 0.0000343200000000, 0.0000458600000000 ] - [ -0.0000232300000000, 0.0000131800000000, 0.0000029000000000 ] - [ 0.0000174200000000, 0.0000108000000000, 0.0000049700000000 ] - [ 0.0000024200000000, 0.0000171300000000, 0.0000079800000000 ] - [ -0.0001110000000000, 0.0000033800000000, 0.0000077900000000 ] - [ 0.0000549600000000, -0.0000369900000000, 0.0000533800000000 ] - [ 0.0000541200000000, 0.0000343200000000, -0.0000458600000000 ] - [ -0.0000232300000000, 0.0000131800000000, -0.0000029000000000 ] - [ 0.0000174200000000, 0.0000108000000000, -0.0000049700000000 ] - [ 0.0000024200000000, 0.0000171300000000, -0.0000079800000000 ] - [ -0.0333511600000000, -0.0015056000000000, 0.0000000000000000 ] - [ 0.0031496500000000, -0.0007758000000000, 0.0000000000000000 ] - [ 0.0031273400000000, -0.0035317000000000, 0.0000000000000000 ] - [ -0.0000051900000000, -0.0021488400000000, 0.0000000000000000 ] - [ 0.0000120000000000, -0.0021469900000000, 0.0000000000000000 ] - [ -0.0000025200000000, -0.0021475000000000, 0.0000000000000000 ] - [ 0.0000041800000000, 0.0021385600000000, 0.0000037200000000 ] - [ -0.0000052300000000, 0.0021525300000000, 0.0000017400000000 ] - [ 0.0000008600000000, 0.0021445200000000, 0.0000001300000000 ] - [ 0.0000041800000000, 0.0021385600000000, -0.0000037200000000 ] - [ -0.0000052300000000, 0.0021525300000000, -0.0000017400000000 ] - [ 0.0000008600000000, 0.0021445200000000, -0.0000001300000000 ] - [ -0.0000318400000000, -0.0020820400000000, 0.0000000000000000 ] - [ -0.0000237900000000, -0.0022046600000000, 0.0000000000000000 ] - [ 0.0000572400000000, -0.0021449900000000, 0.0000000000000000 ] - [ -0.0000036900000000, -0.0021293700000000, 0.0000000000000000 ] - [ -0.0000015600000000, -0.0021465700000000, 0.0000000000000000 ] - [ 0.0000032400000000, -0.0021338400000000, 0.0000000000000000 ] - [ 0.0001188700000000, 0.0021425300000000, -0.0000001200000000 ] - [ -0.0001203100000000, 0.0024302100000000, 0.0003063300000000 ] - [ -0.0001191500000000, 0.0018579200000000, -0.0002992500000000 ] - [ 0.0001188700000000, 0.0021425300000000, 0.0000001200000000 ] - [ -0.0001203100000000, 0.0024302100000000, -0.0003063300000000 ] - [ -0.0001191500000000, 0.0018579200000000, 0.0002992500000000 ] - [ 0.0002818400000000, -0.0005327200000000, 0.0002315500000000 ] - [ 0.0002808700000000, -0.0011517500000000, -0.0002310900000000 ] - [ -0.0002270100000000, -0.0008403300000000, 0.0000012900000000 ] - [ 0.0002818400000000, -0.0005327200000000, -0.0002315500000000 ] - [ 0.0002808700000000, -0.0011517500000000, 0.0002310900000000 ] - [ -0.0002270100000000, -0.0008403300000000, -0.0000012900000000 ] - [ 0.0000003500000000, -0.0008490900000000, 0.0013112800000000 ] - [ 0.0000019200000000, -0.0008723500000000, 0.0013037900000000 ] - [ -0.0000103200000000, -0.0008611000000000, 0.0013088600000000 ] - [ 0.0000111200000000, -0.0008869300000000, 0.0013020300000000 ] - [ 0.0000132900000000, -0.0008352000000000, 0.0013244100000000 ] - [ -0.0000246600000000, -0.0008574200000000, 0.0013094800000000 ] - [ 0.0027817500000000, 0.0008310200000000, 0.0012144900000000 ] - [ -0.0007065000000000, 0.0004752400000000, 0.0006733100000000 ] - [ -0.0006856300000000, 0.0012689800000000, 0.0019328400000000 ] - [ 0.0000340000000000, 0.0008600700000000, 0.0013124900000000 ] - [ -0.0000120200000000, 0.0008634700000000, 0.0013146500000000 ] - [ -0.0000098000000000, 0.0008549200000000, 0.0013074500000000 ] - [ 0.0027817500000000, 0.0008310200000000, -0.0012144900000000 ] - [ -0.0007065000000000, 0.0004752400000000, -0.0006733100000000 ] - [ -0.0006856300000000, 0.0012689800000000, -0.0019328400000000 ] - [ 0.0000340000000000, 0.0008600700000000, -0.0013124900000000 ] - [ -0.0000120200000000, 0.0008634700000000, -0.0013146500000000 ] - [ -0.0000098000000000, 0.0008549200000000, -0.0013074500000000 ] - [ 0.0000988100000000, 0.0008244500000000, 0.0000000000000000 ] - [ -0.0000585400000000, 0.0008214300000000, 0.0000000000000000 ] - [ -0.0000473200000000, 0.0008462300000000, 0.0000000000000000 ] - [ -0.0000002500000000, 0.0008413600000000, 0.0000000000000000 ] - [ -0.0000003100000000, 0.0008443900000000, 0.0000000000000000 ] - [ -0.0000027100000000, 0.0008443100000000, 0.0000000000000000 ] - [ 0.0000111200000000, -0.0008869300000000, -0.0013020300000000 ] - [ 0.0000132900000000, -0.0008352000000000, -0.0013244100000000 ] - [ -0.0000246600000000, -0.0008574200000000, -0.0013094800000000 ] - [ 0.0000003500000000, -0.0008490900000000, -0.0013112800000000 ] - [ 0.0000019200000000, -0.0008723500000000, -0.0013037900000000 ] - [ -0.0000103200000000, -0.0008611000000000, -0.0013088600000000 ] - [ 0.0000189100000000, -0.0008483300000000, -0.0000011300000000 ] - [ -0.0000024600000000, -0.0008301900000000, 0.0000043400000000 ] - [ -0.0000166900000000, -0.0008495800000000, -0.0000051000000000 ] - [ 0.0000189100000000, -0.0008483300000000, 0.0000011300000000 ] - [ -0.0000024600000000, -0.0008301900000000, -0.0000043400000000 ] - [ -0.0000166900000000, -0.0008495800000000, 0.0000051000000000 ] - [ 0.0000211500000000, -0.0008483700000000, 0.0013149100000000 ] - [ 0.0000291300000000, -0.0009524500000000, 0.0012235800000000 ] - [ 0.0000101300000000, -0.0007623100000000, 0.0013829000000000 ] - [ 0.0006157100000000, -0.0008472600000000, 0.0013149200000000 ] - [ -0.0003341200000000, -0.0010358500000000, 0.0018651900000000 ] - [ -0.0003500600000000, -0.0006856600000000, 0.0007510600000000 ] - [ 0.0000608400000000, 0.0007132800000000, 0.0013410900000000 ] - [ 0.0000590000000000, 0.0010005500000000, 0.0012736800000000 ] - [ -0.0001490100000000, 0.0008587300000000, 0.0013087700000000 ] - [ 0.0000263100000000, 0.0008078400000000, 0.0013287500000000 ] - [ 0.0000000000000000, 0.0008599700000000, 0.0013092800000000 ] - [ -0.0000302500000000, 0.0008137500000000, 0.0013319000000000 ] - [ 0.0000608400000000, 0.0007132800000000, -0.0013410900000000 ] - [ 0.0000590000000000, 0.0010005500000000, -0.0012736800000000 ] - [ -0.0001490100000000, 0.0008587300000000, -0.0013087700000000 ] - [ 0.0000263100000000, 0.0008078400000000, -0.0013287500000000 ] - [ 0.0000000000000000, 0.0008599700000000, -0.0013092800000000 ] - [ -0.0000302500000000, 0.0008137500000000, -0.0013319000000000 ] - [ 0.0124675500000000, 0.0121241400000000, 0.0000000000000000 ] - [ 0.0130565200000000, -0.0109468400000000, 0.0000000000000000 ] - [ -0.0016408200000000, 0.0008451700000000, 0.0000000000000000 ] - [ 0.0000363100000000, 0.0009011200000000, 0.0000000000000000 ] - [ 0.0000107700000000, 0.0008104200000000, 0.0000000000000000 ] - [ -0.0000612700000000, 0.0008685400000000, 0.0000000000000000 ] - [ 0.0006157100000000, -0.0008472600000000, -0.0013149200000000 ] - [ -0.0003341200000000, -0.0010358500000000, -0.0018651900000000 ] - [ -0.0003500600000000, -0.0006856600000000, -0.0007510600000000 ] - [ 0.0000211500000000, -0.0008483700000000, -0.0013149100000000 ] - [ 0.0000291300000000, -0.0009524500000000, -0.0012235800000000 ] - [ 0.0000101300000000, -0.0007623100000000, -0.0013829000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0003786400000000, 0.0003976100000000 ] - [ 0.0000829700000000, -0.0000416800000000, -0.0000434700000000 ] - [ -0.0000829700000000, -0.0000416800000000, -0.0000434700000000 ] - [ 0.0000000000000000, 0.0003786400000000, -0.0003976100000000 ] - [ 0.0000829700000000, -0.0000416800000000, 0.0000434700000000 ] - [ -0.0000829700000000, -0.0000416800000000, 0.0000434700000000 ] - [ -0.0010505800000000, 0.0011969300000000, 0.0000000000000000 ] - [ 0.0010505800000000, 0.0011969300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001341900000000, 0.0000000000000000 ] - [ 0.0000141600000000, 0.0000219200000000, 0.0000000000000000 ] - [ -0.0000141600000000, 0.0000219200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000064000000000, 0.0000000000000000 ] - [ -0.0000063800000000, 0.0000220600000000, -0.0000376100000000 ] - [ 0.0000063800000000, 0.0000220600000000, -0.0000376100000000 ] - [ 0.0000000000000000, 0.0000184900000000, -0.0000408900000000 ] - [ -0.0000063800000000, 0.0000220600000000, 0.0000376100000000 ] - [ 0.0000063800000000, 0.0000220600000000, 0.0000376100000000 ] - [ 0.0000000000000000, 0.0000184900000000, 0.0000408900000000 ] - [ 0.0000000000000000, 0.0007633900000000, 0.0000000000000000 ] - [ -0.0001062400000000, 0.0005944300000000, 0.0000000000000000 ] - [ 0.0001062400000000, 0.0005944300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000274600000000, 0.0000000000000000 ] - [ -0.0000026800000000, 0.0000289000000000, 0.0000000000000000 ] - [ 0.0000026800000000, 0.0000289000000000, 0.0000000000000000 ] - [ -0.0029072700000000, -0.0039493100000000, 0.0029046900000000 ] - [ 0.0029072700000000, -0.0039493100000000, 0.0029046900000000 ] - [ 0.0000000000000000, -0.0002066100000000, 0.0008148800000000 ] - [ 0.0000909800000000, -0.0001001200000000, 0.0001406200000000 ] - [ -0.0000909800000000, -0.0001001200000000, 0.0001406200000000 ] - [ 0.0000000000000000, 0.0000470000000000, -0.0001469500000000 ] - [ -0.0029072700000000, -0.0039493100000000, -0.0029046900000000 ] - [ 0.0029072700000000, -0.0039493100000000, -0.0029046900000000 ] - [ 0.0000000000000000, -0.0002066100000000, -0.0008148800000000 ] - [ 0.0000909800000000, -0.0001001200000000, -0.0001406200000000 ] - [ -0.0000909800000000, -0.0001001200000000, -0.0001406200000000 ] - [ 0.0000000000000000, 0.0000470000000000, 0.0001469500000000 ] - [ 0.0000000000000000, 0.0001878600000000, 0.0000044000000000 ] - [ 0.0000841700000000, 0.0001077100000000, 0.0000175400000000 ] - [ -0.0000841700000000, 0.0001077100000000, 0.0000175400000000 ] - [ 0.0000000000000000, 0.0000210600000000, 0.0000105100000000 ] - [ 0.0000241200000000, 0.0000140700000000, -0.0000230900000000 ] - [ -0.0000241200000000, 0.0000140700000000, -0.0000230900000000 ] - [ 0.0000000000000000, 0.0001878600000000, -0.0000044000000000 ] - [ 0.0000841700000000, 0.0001077100000000, -0.0000175400000000 ] - [ -0.0000841700000000, 0.0001077100000000, -0.0000175400000000 ] - [ 0.0000000000000000, 0.0000210600000000, -0.0000105100000000 ] - [ 0.0000241200000000, 0.0000140700000000, 0.0000230900000000 ] - [ -0.0000241200000000, 0.0000140700000000, 0.0000230900000000 ] - [ 0.0000000000000000, -0.0451056900000000, 0.0000000000000000 ] - [ -0.0013785300000000, -0.0052870000000000, 0.0000000000000000 ] - [ 0.0013785300000000, -0.0052870000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0021620600000000, 0.0000000000000000 ] - [ -0.0000018700000000, -0.0021643400000000, 0.0000000000000000 ] - [ 0.0000018700000000, -0.0021643400000000, 0.0000000000000000 ] - [ -0.0000043100000000, 0.0021911800000000, 0.0000466900000000 ] - [ 0.0000043100000000, 0.0021911800000000, 0.0000466900000000 ] - [ 0.0000000000000000, 0.0021358700000000, -0.0000468400000000 ] - [ -0.0000043100000000, 0.0021911800000000, -0.0000466900000000 ] - [ 0.0000043100000000, 0.0021911800000000, -0.0000466900000000 ] - [ 0.0000000000000000, 0.0021358700000000, 0.0000468400000000 ] - [ -0.0000661500000000, -0.0020427300000000, 0.0000000000000000 ] - [ 0.0000661500000000, -0.0020427300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0020432200000000, 0.0000000000000000 ] - [ 0.0000117700000000, -0.0021369700000000, 0.0000000000000000 ] - [ -0.0000117700000000, -0.0021369700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0021417400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016736000000000, -0.0000684500000000 ] - [ 0.0002833100000000, 0.0018315400000000, -0.0002805900000000 ] - [ -0.0002833100000000, 0.0018315400000000, -0.0002805900000000 ] - [ 0.0000000000000000, 0.0016736000000000, 0.0000684500000000 ] - [ 0.0002833100000000, 0.0018315400000000, 0.0002805900000000 ] - [ -0.0002833100000000, 0.0018315400000000, 0.0002805900000000 ] - [ 0.0003600600000000, -0.0003121100000000, -0.0001255000000000 ] - [ -0.0003600600000000, -0.0003121100000000, -0.0001255000000000 ] - [ 0.0000000000000000, -0.0007617500000000, 0.0002534900000000 ] - [ 0.0003600600000000, -0.0003121100000000, 0.0001255000000000 ] - [ -0.0003600600000000, -0.0003121100000000, 0.0001255000000000 ] - [ 0.0000000000000000, -0.0007617500000000, -0.0002534900000000 ] - [ 0.0000302300000000, -0.0009006300000000, 0.0012895800000000 ] - [ -0.0000302300000000, -0.0009006300000000, 0.0012895800000000 ] - [ 0.0000000000000000, -0.0008612300000000, 0.0013404000000000 ] - [ 0.0000298000000000, -0.0010127400000000, 0.0013298700000000 ] - [ -0.0000298000000000, -0.0010127400000000, 0.0013298700000000 ] - [ 0.0000000000000000, -0.0008485300000000, 0.0012695600000000 ] - [ 0.0000000000000000, 0.0152072300000000, 0.0166816700000000 ] - [ -0.0001673900000000, 0.0015551900000000, 0.0018081500000000 ] - [ 0.0001673900000000, 0.0015551900000000, 0.0018081500000000 ] - [ 0.0000000000000000, 0.0008764800000000, 0.0013139400000000 ] - [ -0.0000037600000000, 0.0008854200000000, 0.0012994800000000 ] - [ 0.0000037600000000, 0.0008854200000000, 0.0012994800000000 ] - [ 0.0000000000000000, 0.0152072300000000, -0.0166816700000000 ] - [ -0.0001673900000000, 0.0015551900000000, -0.0018081500000000 ] - [ 0.0001673900000000, 0.0015551900000000, -0.0018081500000000 ] - [ 0.0000000000000000, 0.0008764800000000, -0.0013139400000000 ] - [ -0.0000037600000000, 0.0008854200000000, -0.0012994800000000 ] - [ 0.0000037600000000, 0.0008854200000000, -0.0012994800000000 ] - [ 0.0000000000000000, 0.0006395100000000, 0.0000000000000000 ] - [ -0.0000840200000000, 0.0007166100000000, 0.0000000000000000 ] - [ 0.0000840200000000, 0.0007166100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008353100000000, 0.0000000000000000 ] - [ 0.0000108600000000, 0.0008198900000000, 0.0000000000000000 ] - [ -0.0000108600000000, 0.0008198900000000, 0.0000000000000000 ] - [ 0.0000298000000000, -0.0010127400000000, -0.0013298700000000 ] - [ -0.0000298000000000, -0.0010127400000000, -0.0013298700000000 ] - [ 0.0000000000000000, -0.0008485300000000, -0.0012695600000000 ] - [ 0.0000302300000000, -0.0009006300000000, -0.0012895800000000 ] - [ -0.0000302300000000, -0.0009006300000000, -0.0012895800000000 ] - [ 0.0000000000000000, -0.0008612300000000, -0.0013404000000000 ] - [ 0.0000000000000000, -0.0008923200000000, -0.0000049300000000 ] - [ -0.0000369800000000, -0.0008768300000000, 0.0000140200000000 ] - [ 0.0000369800000000, -0.0008768300000000, 0.0000140200000000 ] - [ 0.0000000000000000, -0.0008923200000000, 0.0000049300000000 ] - [ -0.0000369800000000, -0.0008768300000000, -0.0000140200000000 ] - [ 0.0000369800000000, -0.0008768300000000, -0.0000140200000000 ] - [ 0.0000000000000000, -0.0007636900000000, 0.0014346100000000 ] - [ -0.0001220000000000, -0.0007361900000000, 0.0013531700000000 ] - [ 0.0001220000000000, -0.0007361900000000, 0.0013531700000000 ] - [ 0.0000000000000000, -0.0000340200000000, 0.0009545200000000 ] - [ -0.0001443000000000, -0.0004871900000000, 0.0008380700000000 ] - [ 0.0001443000000000, -0.0004871900000000, 0.0008380700000000 ] - [ 0.0000222800000000, 0.0006709600000000, 0.0013513600000000 ] - [ -0.0000222800000000, 0.0006709600000000, 0.0013513600000000 ] - [ 0.0000000000000000, 0.0006786000000000, 0.0013350100000000 ] - [ 0.0000028800000000, 0.0008438600000000, 0.0013032500000000 ] - [ -0.0000028800000000, 0.0008438600000000, 0.0013032500000000 ] - [ 0.0000000000000000, 0.0008524900000000, 0.0013076400000000 ] - [ 0.0000222800000000, 0.0006709600000000, -0.0013513600000000 ] - [ -0.0000222800000000, 0.0006709600000000, -0.0013513600000000 ] - [ 0.0000000000000000, 0.0006786000000000, -0.0013350100000000 ] - [ 0.0000028800000000, 0.0008438600000000, -0.0013032500000000 ] - [ -0.0000028800000000, 0.0008438600000000, -0.0013032500000000 ] - [ 0.0000000000000000, 0.0008524900000000, -0.0013076400000000 ] - [ 0.0091377700000000, 0.0136207500000000, 0.0000000000000000 ] - [ -0.0091377700000000, 0.0136207500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017356800000000, 0.0000000000000000 ] - [ 0.0000036500000000, 0.0008935700000000, 0.0000000000000000 ] - [ -0.0000036500000000, 0.0008935700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008290100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000340200000000, -0.0009545200000000 ] - [ -0.0001443000000000, -0.0004871900000000, -0.0008380700000000 ] - [ 0.0001443000000000, -0.0004871900000000, -0.0008380700000000 ] - [ 0.0000000000000000, -0.0007636900000000, -0.0014346100000000 ] - [ -0.0001220000000000, -0.0007361900000000, -0.0013531700000000 ] - [ 0.0001220000000000, -0.0007361900000000, -0.0013531700000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0004058900000000, -0.0003946400000000 ] - [ -0.0000843200000000, 0.0000146200000000, 0.0000414900000000 ] - [ 0.0000843200000000, 0.0000146200000000, 0.0000414900000000 ] - [ 0.0000000000000000, -0.0004058900000000, 0.0003946400000000 ] - [ -0.0000843200000000, 0.0000146200000000, -0.0000414900000000 ] - [ 0.0000843200000000, 0.0000146200000000, -0.0000414900000000 ] - [ 0.0010232500000000, -0.0011623500000000, 0.0000000000000000 ] - [ -0.0010232500000000, -0.0011623500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001678200000000, 0.0000000000000000 ] - [ 0.0000017000000000, 0.0000114500000000, 0.0000000000000000 ] - [ -0.0000017000000000, 0.0000114500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000047600000000, 0.0000000000000000 ] - [ 0.0000085400000000, -0.0000521800000000, 0.0000369100000000 ] - [ -0.0000085400000000, -0.0000521800000000, 0.0000369100000000 ] - [ 0.0000000000000000, -0.0000528400000000, 0.0000421700000000 ] - [ 0.0000085400000000, -0.0000521800000000, -0.0000369100000000 ] - [ -0.0000085400000000, -0.0000521800000000, -0.0000369100000000 ] - [ 0.0000000000000000, -0.0000528400000000, -0.0000421700000000 ] - [ 0.0000000000000000, -0.0007384000000000, 0.0000000000000000 ] - [ 0.0001056100000000, -0.0005670800000000, 0.0000000000000000 ] - [ -0.0001056100000000, -0.0005670800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000023600000000, 0.0000000000000000 ] - [ 0.0000021000000000, 0.0000005400000000, 0.0000000000000000 ] - [ -0.0000021000000000, 0.0000005400000000, 0.0000000000000000 ] - [ 0.0029001900000000, 0.0039373000000000, -0.0029121700000000 ] - [ -0.0029001900000000, 0.0039373000000000, -0.0029121700000000 ] - [ 0.0000000000000000, 0.0002001200000000, -0.0008202400000000 ] - [ -0.0000768700000000, 0.0000879500000000, -0.0001416100000000 ] - [ 0.0000768700000000, 0.0000879500000000, -0.0001416100000000 ] - [ 0.0000000000000000, -0.0000571300000000, 0.0001432200000000 ] - [ 0.0029001900000000, 0.0039373000000000, 0.0029121700000000 ] - [ -0.0029001900000000, 0.0039373000000000, 0.0029121700000000 ] - [ 0.0000000000000000, 0.0002001200000000, 0.0008202400000000 ] - [ -0.0000768700000000, 0.0000879500000000, 0.0001416100000000 ] - [ 0.0000768700000000, 0.0000879500000000, 0.0001416100000000 ] - [ 0.0000000000000000, -0.0000571300000000, -0.0001432200000000 ] - [ 0.0000000000000000, -0.0001842200000000, -0.0000133100000000 ] - [ -0.0000824200000000, -0.0001067700000000, -0.0000209100000000 ] - [ 0.0000824200000000, -0.0001067700000000, -0.0000209100000000 ] - [ 0.0000000000000000, -0.0000236000000000, -0.0000092600000000 ] - [ -0.0000260000000000, -0.0000084900000000, 0.0000167600000000 ] - [ 0.0000260000000000, -0.0000084900000000, 0.0000167600000000 ] - [ 0.0000000000000000, -0.0001842200000000, 0.0000133100000000 ] - [ -0.0000824200000000, -0.0001067700000000, 0.0000209100000000 ] - [ 0.0000824200000000, -0.0001067700000000, 0.0000209100000000 ] - [ 0.0000000000000000, -0.0000236000000000, 0.0000092600000000 ] - [ -0.0000260000000000, -0.0000084900000000, -0.0000167600000000 ] - [ 0.0000260000000000, -0.0000084900000000, -0.0000167600000000 ] - [ 0.0000000000000000, 0.0409182800000000, 0.0000000000000000 ] - [ 0.0013839700000000, 0.0010018600000000, 0.0000000000000000 ] - [ -0.0013839700000000, 0.0010018600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0021273100000000, 0.0000000000000000 ] - [ 0.0000024400000000, -0.0021307600000000, 0.0000000000000000 ] - [ -0.0000024400000000, -0.0021307600000000, 0.0000000000000000 ] - [ 0.0000050600000000, 0.0020996900000000, -0.0000437600000000 ] - [ -0.0000050600000000, 0.0020996900000000, -0.0000437600000000 ] - [ 0.0000000000000000, 0.0021582300000000, 0.0000376300000000 ] - [ 0.0000050600000000, 0.0020996900000000, 0.0000437600000000 ] - [ -0.0000050600000000, 0.0020996900000000, 0.0000437600000000 ] - [ 0.0000000000000000, 0.0021582300000000, -0.0000376300000000 ] - [ 0.0000593900000000, -0.0022455000000000, 0.0000000000000000 ] - [ -0.0000593900000000, -0.0022455000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0022440100000000, 0.0000000000000000 ] - [ 0.0000006000000000, -0.0021490400000000, 0.0000000000000000 ] - [ -0.0000006000000000, -0.0021490400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0021467200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0026179600000000, 0.0000707900000000 ] - [ -0.0002826300000000, 0.0024583400000000, 0.0002814400000000 ] - [ 0.0002826300000000, 0.0024583400000000, 0.0002814400000000 ] - [ 0.0000000000000000, 0.0026179600000000, -0.0000707900000000 ] - [ -0.0002826300000000, 0.0024583400000000, -0.0002814400000000 ] - [ 0.0002826300000000, 0.0024583400000000, -0.0002814400000000 ] - [ -0.0003578700000000, -0.0013800300000000, 0.0001209600000000 ] - [ 0.0003578700000000, -0.0013800300000000, 0.0001209600000000 ] - [ 0.0000000000000000, -0.0009270800000000, -0.0002570500000000 ] - [ -0.0003578700000000, -0.0013800300000000, -0.0001209600000000 ] - [ 0.0003578700000000, -0.0013800300000000, -0.0001209600000000 ] - [ 0.0000000000000000, -0.0009270800000000, 0.0002570500000000 ] - [ -0.0000300200000000, -0.0008083000000000, 0.0013272200000000 ] - [ 0.0000300200000000, -0.0008083000000000, 0.0013272200000000 ] - [ 0.0000000000000000, -0.0008599700000000, 0.0012884000000000 ] - [ -0.0000304000000000, -0.0006985000000000, 0.0012893700000000 ] - [ 0.0000304000000000, -0.0006985000000000, 0.0012893700000000 ] - [ 0.0000000000000000, -0.0008605300000000, 0.0013463100000000 ] - [ 0.0000000000000000, -0.0133451700000000, -0.0136685400000000 ] - [ 0.0001562100000000, 0.0001668400000000, 0.0008033200000000 ] - [ -0.0001562100000000, 0.0001668400000000, 0.0008033200000000 ] - [ 0.0000000000000000, 0.0008315500000000, 0.0013073000000000 ] - [ 0.0000253700000000, 0.0008532100000000, 0.0013043500000000 ] - [ -0.0000253700000000, 0.0008532100000000, 0.0013043500000000 ] - [ 0.0000000000000000, -0.0133451700000000, 0.0136685400000000 ] - [ 0.0001562100000000, 0.0001668400000000, -0.0008033200000000 ] - [ -0.0001562100000000, 0.0001668400000000, -0.0008033200000000 ] - [ 0.0000000000000000, 0.0008315500000000, -0.0013073000000000 ] - [ 0.0000253700000000, 0.0008532100000000, -0.0013043500000000 ] - [ -0.0000253700000000, 0.0008532100000000, -0.0013043500000000 ] - [ 0.0000000000000000, 0.0010288000000000, 0.0000000000000000 ] - [ 0.0000759000000000, 0.0009644900000000, 0.0000000000000000 ] - [ -0.0000759000000000, 0.0009644900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008562600000000, 0.0000000000000000 ] - [ 0.0000052000000000, 0.0008515000000000, 0.0000000000000000 ] - [ -0.0000052000000000, 0.0008515000000000, 0.0000000000000000 ] - [ -0.0000304000000000, -0.0006985000000000, -0.0012893700000000 ] - [ 0.0000304000000000, -0.0006985000000000, -0.0012893700000000 ] - [ 0.0000000000000000, -0.0008605300000000, -0.0013463100000000 ] - [ -0.0000300200000000, -0.0008083000000000, -0.0013272200000000 ] - [ 0.0000300200000000, -0.0008083000000000, -0.0013272200000000 ] - [ 0.0000000000000000, -0.0008599700000000, -0.0012884000000000 ] - [ 0.0000000000000000, -0.0007999600000000, 0.0000045000000000 ] - [ 0.0000379500000000, -0.0008146900000000, -0.0000128400000000 ] - [ -0.0000379500000000, -0.0008146900000000, -0.0000128400000000 ] - [ 0.0000000000000000, -0.0007999600000000, -0.0000045000000000 ] - [ 0.0000379500000000, -0.0008146900000000, 0.0000128400000000 ] - [ -0.0000379500000000, -0.0008146900000000, 0.0000128400000000 ] - [ 0.0000000000000000, -0.0009417300000000, 0.0011823500000000 ] - [ 0.0001225100000000, -0.0009712600000000, 0.0012655000000000 ] - [ -0.0001225100000000, -0.0009712600000000, 0.0012655000000000 ] - [ 0.0000000000000000, -0.0016684800000000, 0.0016664800000000 ] - [ 0.0001435400000000, -0.0012155800000000, 0.0017829900000000 ] - [ -0.0001435400000000, -0.0012155800000000, 0.0017829900000000 ] - [ -0.0000211700000000, 0.0010397700000000, 0.0012664000000000 ] - [ 0.0000211700000000, 0.0010397700000000, 0.0012664000000000 ] - [ 0.0000000000000000, 0.0010280400000000, 0.0012778900000000 ] - [ -0.0000039600000000, 0.0008638200000000, 0.0013116800000000 ] - [ 0.0000039600000000, 0.0008638200000000, 0.0013116800000000 ] - [ 0.0000000000000000, 0.0008563400000000, 0.0013099700000000 ] - [ -0.0000211700000000, 0.0010397700000000, -0.0012664000000000 ] - [ 0.0000211700000000, 0.0010397700000000, -0.0012664000000000 ] - [ 0.0000000000000000, 0.0010280400000000, -0.0012778900000000 ] - [ -0.0000039600000000, 0.0008638200000000, -0.0013116800000000 ] - [ 0.0000039600000000, 0.0008638200000000, -0.0013116800000000 ] - [ 0.0000000000000000, 0.0008563400000000, -0.0013099700000000 ] - [ -0.0095057000000000, -0.0121374100000000, 0.0000000000000000 ] - [ 0.0095057000000000, -0.0121374100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000456300000000, 0.0000000000000000 ] - [ -0.0000070500000000, 0.0007975800000000, 0.0000000000000000 ] - [ 0.0000070500000000, 0.0007975800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008636500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0016684800000000, -0.0016664800000000 ] - [ 0.0001435400000000, -0.0012155800000000, -0.0017829900000000 ] - [ -0.0001435400000000, -0.0012155800000000, -0.0017829900000000 ] - [ 0.0000000000000000, -0.0009417300000000, -0.0011823500000000 ] - [ 0.0001225100000000, -0.0009712600000000, -0.0012655000000000 ] - [ -0.0001225100000000, -0.0009712600000000, -0.0012655000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0004640400000000, 0.0007942600000000 ] - [ 0.0001147000000000, 0.0000573200000000, 0.0000949800000000 ] - [ -0.0001147000000000, 0.0000573200000000, 0.0000949800000000 ] - [ 0.0000000000000000, -0.0005065500000000, 0.0007971900000000 ] - [ -0.0001171300000000, -0.0001029800000000, 0.0000947200000000 ] - [ 0.0001171300000000, -0.0001029800000000, 0.0000947200000000 ] - [ 0.0000002000000000, 0.0000215300000000, -0.0013919300000000 ] - [ -0.0000002000000000, 0.0000215300000000, -0.0013919300000000 ] - [ 0.0000000000000000, 0.0000225600000000, -0.0002662000000000 ] - [ 0.0000004400000000, 0.0000219400000000, 0.0001087900000000 ] - [ -0.0000004400000000, 0.0000219400000000, 0.0001087900000000 ] - [ 0.0000000000000000, 0.0000229100000000, 0.0000867800000000 ] - [ -0.0000762100000000, -0.0001436400000000, 0.0000775400000000 ] - [ 0.0000762100000000, -0.0001436400000000, 0.0000775400000000 ] - [ 0.0000000000000000, -0.0000765000000000, 0.0000378700000000 ] - [ 0.0000760900000000, 0.0001016800000000, 0.0000770800000000 ] - [ -0.0000760900000000, 0.0001016800000000, 0.0000770800000000 ] - [ 0.0000000000000000, 0.0000470800000000, 0.0000379000000000 ] - [ 0.0000000000000000, 0.0000255700000000, -0.0002397400000000 ] - [ 0.0000031300000000, 0.0000137600000000, -0.0000352600000000 ] - [ -0.0000031300000000, 0.0000137600000000, -0.0000352600000000 ] - [ 0.0000000000000000, 0.0000114600000000, 0.0001368700000000 ] - [ -0.0000037000000000, 0.0000245300000000, 0.0001077900000000 ] - [ 0.0000037000000000, 0.0000245300000000, 0.0001077900000000 ] - [ 0.0047820200000000, 0.0037147300000000, 0.0009953900000000 ] - [ -0.0047820200000000, 0.0037147300000000, 0.0009953900000000 ] - [ 0.0000000000000000, 0.0003342100000000, -0.0001590800000000 ] - [ -0.0000612900000000, -0.0000207900000000, 0.0007240800000000 ] - [ 0.0000612900000000, -0.0000207900000000, 0.0007240800000000 ] - [ 0.0000000000000000, 0.0000708900000000, 0.0003117500000000 ] - [ -0.0048199300000000, -0.0037182900000000, 0.0010410300000000 ] - [ 0.0048199300000000, -0.0037182900000000, 0.0010410300000000 ] - [ 0.0000000000000000, -0.0003321900000000, -0.0001595000000000 ] - [ 0.0000655200000000, 0.0000251600000000, 0.0007257300000000 ] - [ -0.0000655200000000, 0.0000251600000000, 0.0007257300000000 ] - [ 0.0000000000000000, -0.0000675500000000, 0.0003119300000000 ] - [ 0.0000000000000000, -0.0002310100000000, -0.0003153200000000 ] - [ -0.0001488100000000, -0.0001229400000000, -0.0002470100000000 ] - [ 0.0001488100000000, -0.0001229400000000, -0.0002470100000000 ] - [ 0.0000000000000000, 0.0000666900000000, 0.0002428700000000 ] - [ 0.0000529500000000, 0.0000446800000000, 0.0002164100000000 ] - [ -0.0000529500000000, 0.0000446800000000, 0.0002164100000000 ] - [ 0.0000000000000000, 0.0002316700000000, -0.0003136800000000 ] - [ 0.0001481100000000, 0.0001189500000000, -0.0002432000000000 ] - [ -0.0001481100000000, 0.0001189500000000, -0.0002432000000000 ] - [ 0.0000000000000000, -0.0000681500000000, 0.0002428200000000 ] - [ -0.0000456100000000, -0.0000447100000000, 0.0002148600000000 ] - [ 0.0000456100000000, -0.0000447100000000, 0.0002148600000000 ] - [ 0.0000000000000000, -0.0030950900000000, -0.0602616100000000 ] - [ -0.0000005800000000, -0.0021455400000000, -0.0003249300000000 ] - [ 0.0000005800000000, -0.0021455400000000, -0.0003249300000000 ] - [ 0.0000000000000000, -0.0021440300000000, 0.0002557400000000 ] - [ 0.0000000000000000, -0.0021427000000000, 0.0001767700000000 ] - [ 0.0000000000000000, -0.0021427000000000, 0.0001767700000000 ] - [ 0.0000041500000000, 0.0021893200000000, 0.0001484800000000 ] - [ -0.0000041500000000, 0.0021893200000000, 0.0001484800000000 ] - [ 0.0000000000000000, 0.0021073000000000, 0.0000281800000000 ] - [ -0.0000024200000000, 0.0021010900000000, 0.0001478600000000 ] - [ 0.0000024200000000, 0.0021010900000000, 0.0001478600000000 ] - [ 0.0000000000000000, 0.0021838300000000, 0.0000273100000000 ] - [ -0.0000000700000000, -0.0021443800000000, -0.0001801400000000 ] - [ 0.0000000700000000, -0.0021443800000000, -0.0001801400000000 ] - [ 0.0000000000000000, -0.0021458100000000, -0.0001536800000000 ] - [ 0.0000002900000000, -0.0021433600000000, 0.0001279400000000 ] - [ -0.0000002900000000, -0.0021433600000000, 0.0001279400000000 ] - [ 0.0000000000000000, -0.0021433000000000, 0.0001131200000000 ] - [ 0.0000000000000000, 0.0020774800000000, 0.0003805600000000 ] - [ 0.0003067300000000, 0.0018639100000000, -0.0000326900000000 ] - [ -0.0003067300000000, 0.0018639100000000, -0.0000326900000000 ] - [ 0.0000000000000000, 0.0022174600000000, 0.0003791600000000 ] - [ -0.0003075200000000, 0.0024293400000000, -0.0000334700000000 ] - [ 0.0003075200000000, 0.0024293400000000, -0.0000334700000000 ] - [ 0.0002933200000000, -0.0005829400000000, -0.0006725200000000 ] - [ -0.0002933200000000, -0.0005829400000000, -0.0006725200000000 ] - [ 0.0000000000000000, -0.0007510800000000, -0.0000735900000000 ] - [ -0.0002890900000000, -0.0010978800000000, -0.0006720400000000 ] - [ 0.0002890900000000, -0.0010978800000000, -0.0006720400000000 ] - [ 0.0000000000000000, -0.0009362000000000, -0.0000736800000000 ] - [ 0.0000566100000000, -0.0009671900000000, 0.0011766900000000 ] - [ -0.0000566100000000, -0.0009671900000000, 0.0011766900000000 ] - [ 0.0000000000000000, -0.0008777300000000, 0.0012363700000000 ] - [ -0.0000565800000000, -0.0005573600000000, 0.0012900400000000 ] - [ 0.0000565800000000, -0.0005573600000000, 0.0012900400000000 ] - [ 0.0000000000000000, -0.0008197800000000, 0.0013539700000000 ] - [ 0.0000000000000000, 0.0195847700000000, 0.0275690000000000 ] - [ -0.0005828300000000, 0.0009907100000000, 0.0017629500000000 ] - [ 0.0005828300000000, 0.0009907100000000, 0.0017629500000000 ] - [ 0.0000000000000000, 0.0008612900000000, 0.0010274100000000 ] - [ 0.0000448700000000, 0.0008714200000000, 0.0010643100000000 ] - [ -0.0000448700000000, 0.0008714200000000, 0.0010643100000000 ] - [ 0.0000000000000000, -0.0170984000000000, 0.0239602600000000 ] - [ 0.0005801800000000, 0.0007213200000000, -0.0008534000000000 ] - [ -0.0005801800000000, 0.0007213200000000, -0.0008534000000000 ] - [ 0.0000000000000000, 0.0008508600000000, -0.0015921100000000 ] - [ -0.0000441300000000, 0.0008397400000000, -0.0015507200000000 ] - [ 0.0000441300000000, 0.0008397400000000, -0.0015507200000000 ] - [ 0.0000000000000000, 0.0008455900000000, 0.0002561500000000 ] - [ 0.0000000800000000, 0.0008460700000000, 0.0002205300000000 ] - [ -0.0000000800000000, 0.0008460700000000, 0.0002205300000000 ] - [ 0.0000000000000000, 0.0008458600000000, -0.0001763300000000 ] - [ -0.0000005300000000, 0.0008457000000000, -0.0001706300000000 ] - [ 0.0000005300000000, 0.0008457000000000, -0.0001706300000000 ] - [ 0.0000636800000000, -0.0011538300000000, -0.0013211600000000 ] - [ -0.0000636800000000, -0.0011538300000000, -0.0013211600000000 ] - [ 0.0000000000000000, -0.0008816900000000, -0.0012637900000000 ] - [ -0.0000493600000000, -0.0007442100000000, -0.0014331000000000 ] - [ 0.0000493600000000, -0.0007442100000000, -0.0014331000000000 ] - [ 0.0000000000000000, -0.0008272300000000, -0.0013796300000000 ] - [ 0.0000000000000000, -0.0008684700000000, -0.0000550500000000 ] - [ -0.0000700300000000, -0.0008785100000000, -0.0000592900000000 ] - [ 0.0000700300000000, -0.0008785100000000, -0.0000592900000000 ] - [ 0.0000000000000000, -0.0008198800000000, -0.0000537900000000 ] - [ 0.0000746600000000, -0.0008020100000000, -0.0000581900000000 ] - [ -0.0000746600000000, -0.0008020100000000, -0.0000581900000000 ] - [ 0.0000000000000000, -0.0008180500000000, 0.0009896100000000 ] - [ -0.0001030000000000, -0.0007558000000000, 0.0011626800000000 ] - [ 0.0001030000000000, -0.0007558000000000, 0.0011626800000000 ] - [ 0.0000000000000000, -0.0015842000000000, 0.0009828500000000 ] - [ 0.0003282900000000, -0.0014232300000000, 0.0016227500000000 ] - [ -0.0003282900000000, -0.0014232300000000, 0.0016227500000000 ] - [ 0.0000083600000000, 0.0008064400000000, 0.0014946400000000 ] - [ -0.0000083600000000, 0.0008064400000000, 0.0014946400000000 ] - [ 0.0000000000000000, 0.0008318200000000, 0.0014502000000000 ] - [ -0.0000012900000000, 0.0008669300000000, 0.0011753300000000 ] - [ 0.0000012900000000, 0.0008669300000000, 0.0011753300000000 ] - [ 0.0000000000000000, 0.0008637600000000, 0.0011790400000000 ] - [ -0.0000128100000000, 0.0009086200000000, -0.0011179500000000 ] - [ 0.0000128100000000, 0.0009086200000000, -0.0011179500000000 ] - [ 0.0000000000000000, 0.0008930900000000, -0.0011626300000000 ] - [ 0.0000067900000000, 0.0008485800000000, -0.0014360400000000 ] - [ -0.0000067900000000, 0.0008485800000000, -0.0014360400000000 ] - [ 0.0000000000000000, 0.0008472400000000, -0.0014414500000000 ] - [ 0.0000539200000000, 0.0008885400000000, 0.0026664400000000 ] - [ -0.0000539200000000, 0.0008885400000000, 0.0026664400000000 ] - [ 0.0000000000000000, 0.0008391000000000, 0.0005380900000000 ] - [ 0.0000020400000000, 0.0008417200000000, -0.0004628500000000 ] - [ -0.0000020400000000, 0.0008417200000000, -0.0004628500000000 ] - [ 0.0000000000000000, 0.0008460200000000, -0.0002636200000000 ] - [ 0.0000000000000000, -0.0001219100000000, -0.0016340000000000 ] - [ -0.0003241600000000, -0.0002941000000000, -0.0009986600000000 ] - [ 0.0003241600000000, -0.0002941000000000, -0.0009986600000000 ] - [ 0.0000000000000000, -0.0008929100000000, -0.0016326000000000 ] - [ 0.0001103800000000, -0.0009597500000000, -0.0014487100000000 ] - [ -0.0001103800000000, -0.0009597500000000, -0.0014487100000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0021332900000000, 0.0030295600000000, 0.0000000000000000 ] - [ -0.0002515800000000, -0.0000228100000000, 0.0000000000000000 ] - [ 0.0021075700000000, -0.0030020100000000, 0.0000000000000000 ] - [ 0.0000068600000000, -0.0000467700000000, 0.0000000000000000 ] - [ -0.0000085900000000, -0.0000218700000000, 0.0000000000000000 ] - [ 0.0000084700000000, 0.0000048100000000, 0.0000000000000000 ] - [ 0.0001177400000000, 0.0000374000000000, 0.0000009300000000 ] - [ -0.0000558000000000, -0.0000317900000000, 0.0000271200000000 ] - [ -0.0000564800000000, 0.0000713000000000, -0.0000264300000000 ] - [ 0.0001177400000000, 0.0000374000000000, -0.0000009300000000 ] - [ -0.0000558000000000, -0.0000317900000000, -0.0000271200000000 ] - [ -0.0000564800000000, 0.0000713000000000, 0.0000264300000000 ] - [ 0.0005191300000000, -0.0000222900000000, 0.0000000000000000 ] - [ -0.0003802700000000, 0.0003624600000000, 0.0000000000000000 ] - [ -0.0003838800000000, -0.0004065900000000, 0.0000000000000000 ] - [ 0.0000047900000000, -0.0000297400000000, 0.0000000000000000 ] - [ -0.0000024500000000, -0.0000282200000000, 0.0000000000000000 ] - [ -0.0000025700000000, -0.0000169400000000, 0.0000000000000000 ] - [ 0.0000801500000000, 0.0001557700000000, 0.0002448000000000 ] - [ -0.0000886800000000, 0.0000218400000000, -0.0000006200000000 ] - [ 0.0000791400000000, -0.0001157400000000, -0.0002446200000000 ] - [ 0.0000801500000000, 0.0001557700000000, -0.0002448000000000 ] - [ -0.0000886800000000, 0.0000218400000000, 0.0000006200000000 ] - [ 0.0000791400000000, -0.0001157400000000, 0.0002446200000000 ] - [ 0.0003091900000000, -0.0000225600000000, -0.0000149100000000 ] - [ -0.0001074100000000, 0.0000063600000000, 0.0001914400000000 ] - [ -0.0001498700000000, -0.0000334400000000, -0.0002044900000000 ] - [ 0.0021202300000000, -0.0000073500000000, -0.0000492300000000 ] - [ -0.0006464900000000, -0.0005161200000000, -0.0007674600000000 ] - [ -0.0006909000000000, 0.0004822900000000, 0.0007540400000000 ] - [ 0.0021202300000000, -0.0000073500000000, 0.0000492300000000 ] - [ -0.0006464900000000, -0.0005161200000000, 0.0007674600000000 ] - [ -0.0006909000000000, 0.0004822900000000, -0.0007540400000000 ] - [ 0.0003091900000000, -0.0000225600000000, 0.0000149100000000 ] - [ -0.0001074100000000, 0.0000063600000000, -0.0001914400000000 ] - [ -0.0001498700000000, -0.0000334400000000, 0.0002044900000000 ] - [ 0.0000322100000000, 0.0000119600000000, 0.0000079000000000 ] - [ -0.0000393900000000, 0.0000033400000000, -0.0000035700000000 ] - [ 0.0000071800000000, 0.0000073700000000, -0.0000251600000000 ] - [ 0.0001480500000000, 0.0000189600000000, -0.0000385800000000 ] - [ -0.0002748900000000, 0.0000019300000000, -0.0000029600000000 ] - [ 0.0001208000000000, 0.0000020700000000, 0.0000184700000000 ] - [ 0.0001480500000000, 0.0000189600000000, 0.0000385800000000 ] - [ -0.0002748900000000, 0.0000019300000000, 0.0000029600000000 ] - [ 0.0001208000000000, 0.0000020700000000, -0.0000184700000000 ] - [ 0.0000322100000000, 0.0000119600000000, -0.0000079000000000 ] - [ -0.0000393900000000, 0.0000033400000000, 0.0000035700000000 ] - [ 0.0000071800000000, 0.0000073700000000, 0.0000251600000000 ] - [ 0.0002833800000000, -0.0017987500000000, 0.0002871400000000 ] - [ -0.0002209700000000, -0.0021423000000000, -0.0000006400000000 ] - [ 0.0002768900000000, -0.0025174600000000, -0.0002897300000000 ] - [ 0.0002833800000000, -0.0017987500000000, -0.0002871400000000 ] - [ -0.0002209700000000, -0.0021423000000000, 0.0000006400000000 ] - [ 0.0002768900000000, -0.0025174600000000, 0.0002897300000000 ] - [ 0.0000847000000000, 0.0021604400000000, 0.0000000000000000 ] - [ -0.0000392900000000, 0.0020663700000000, 0.0000000000000000 ] - [ -0.0000484500000000, 0.0022208400000000, 0.0000000000000000 ] - [ 0.0000006900000000, 0.0021575000000000, 0.0000000000000000 ] - [ 0.0000076900000000, 0.0021378000000000, 0.0000000000000000 ] - [ -0.0000085800000000, 0.0021460900000000, 0.0000000000000000 ] - [ 0.0000105800000000, -0.0021365800000000, 0.0000026200000000 ] - [ 0.0000186800000000, -0.0020927500000000, 0.0000697700000000 ] - [ -0.0000267000000000, -0.0021673200000000, -0.0000700100000000 ] - [ 0.0000105800000000, -0.0021365800000000, -0.0000026200000000 ] - [ 0.0000186800000000, -0.0020927500000000, -0.0000697700000000 ] - [ -0.0000267000000000, -0.0021673200000000, 0.0000700100000000 ] - [ 0.0130507100000000, -0.0074545300000000, 0.0000000000000000 ] - [ -0.0016433800000000, 0.0021452500000000, 0.0000000000000000 ] - [ 0.0124777900000000, 0.0111917300000000, 0.0000000000000000 ] - [ 0.0000103500000000, 0.0021334200000000, 0.0000000000000000 ] - [ -0.0000328800000000, 0.0021349200000000, 0.0000000000000000 ] - [ 0.0000116100000000, 0.0021437700000000, 0.0000000000000000 ] - [ -0.0481633400000000, -0.0003882600000000, 0.0000000000000000 ] - [ 0.0048401200000000, -0.0016652200000000, 0.0000000000000000 ] - [ 0.0047843600000000, -0.0000220000000000, 0.0000000000000000 ] - [ -0.0002490400000000, -0.0008444800000000, 0.0000000000000000 ] - [ 0.0000926800000000, -0.0008550800000000, 0.0000000000000000 ] - [ 0.0001033000000000, -0.0008350900000000, 0.0000000000000000 ] - [ -0.0001225600000000, -0.0008896600000000, 0.0013234300000000 ] - [ 0.0000995300000000, -0.0007451900000000, 0.0013640300000000 ] - [ 0.0001054800000000, -0.0009930200000000, 0.0012432200000000 ] - [ -0.0000102500000000, -0.0008857800000000, 0.0013210600000000 ] - [ -0.0000038900000000, -0.0008541900000000, 0.0013058500000000 ] - [ 0.0000142100000000, -0.0008711600000000, 0.0013062900000000 ] - [ 0.0001847700000000, 0.0007540800000000, -0.0000387900000000 ] - [ 0.0002752600000000, 0.0008619000000000, 0.0012976100000000 ] - [ 0.0002421800000000, 0.0010631500000000, 0.0025889800000000 ] - [ -0.0000648200000000, 0.0008557600000000, 0.0015310800000000 ] - [ 0.0001393900000000, 0.0008641200000000, 0.0012954200000000 ] - [ -0.0000065600000000, 0.0009650600000000, 0.0010272000000000 ] - [ -0.0000648200000000, 0.0008557600000000, -0.0015310800000000 ] - [ 0.0001393900000000, 0.0008641200000000, -0.0012954200000000 ] - [ -0.0000065600000000, 0.0009650600000000, -0.0010272000000000 ] - [ 0.0001847700000000, 0.0007540800000000, 0.0000387900000000 ] - [ 0.0002752600000000, 0.0008619000000000, -0.0012976100000000 ] - [ 0.0002421800000000, 0.0010631500000000, -0.0025889800000000 ] - [ -0.0000548500000000, 0.0008076300000000, -0.0000127900000000 ] - [ 0.0000738800000000, 0.0008339300000000, -0.0000001100000000 ] - [ -0.0000045600000000, 0.0008038300000000, 0.0000124400000000 ] - [ -0.0000548500000000, 0.0008076300000000, 0.0000127900000000 ] - [ 0.0000738800000000, 0.0008339300000000, 0.0000001100000000 ] - [ -0.0000045600000000, 0.0008038300000000, -0.0000124400000000 ] - [ -0.0001225600000000, -0.0008896600000000, -0.0013234300000000 ] - [ 0.0000995300000000, -0.0007451900000000, -0.0013640300000000 ] - [ 0.0001054800000000, -0.0009930200000000, -0.0012432200000000 ] - [ -0.0000102500000000, -0.0008857800000000, -0.0013210600000000 ] - [ -0.0000038900000000, -0.0008541900000000, -0.0013058500000000 ] - [ 0.0000142100000000, -0.0008711600000000, -0.0013062900000000 ] - [ -0.0000603900000000, -0.0008733200000000, 0.0000000000000000 ] - [ 0.0000998900000000, -0.0008404900000000, 0.0000000000000000 ] - [ -0.0000477200000000, -0.0008244700000000, 0.0000000000000000 ] - [ -0.0000186200000000, -0.0008434500000000, 0.0000000000000000 ] - [ 0.0000132900000000, -0.0008347300000000, 0.0000000000000000 ] - [ 0.0000051500000000, -0.0008399500000000, 0.0000000000000000 ] - [ 0.0013262200000000, -0.0031186300000000, 0.0035238800000000 ] - [ 0.0003490600000000, -0.0008571400000000, 0.0013061200000000 ] - [ 0.0013300500000000, 0.0014007100000000, -0.0009016200000000 ] - [ -0.0000706000000000, -0.0008439700000000, 0.0012913300000000 ] - [ 0.0000819100000000, -0.0008647400000000, 0.0012997300000000 ] - [ -0.0000531600000000, -0.0008933300000000, 0.0013001700000000 ] - [ -0.0000702200000000, 0.0008556800000000, 0.0012922300000000 ] - [ 0.0000408000000000, 0.0007459500000000, 0.0012358100000000 ] - [ 0.0000589000000000, 0.0009781100000000, 0.0013566100000000 ] - [ -0.0000398500000000, 0.0008606600000000, 0.0012973100000000 ] - [ 0.0000107400000000, 0.0008355900000000, 0.0013202300000000 ] - [ 0.0000285100000000, 0.0008930300000000, 0.0012764000000000 ] - [ -0.0000398500000000, 0.0008606600000000, -0.0012973100000000 ] - [ 0.0000107400000000, 0.0008355900000000, -0.0013202300000000 ] - [ 0.0000285100000000, 0.0008930300000000, -0.0012764000000000 ] - [ -0.0000702200000000, 0.0008556800000000, -0.0012922300000000 ] - [ 0.0000408000000000, 0.0007459500000000, -0.0012358100000000 ] - [ 0.0000589000000000, 0.0009781100000000, -0.0013566100000000 ] - [ -0.0001280700000000, 0.0008514600000000, 0.0000060200000000 ] - [ 0.0002502600000000, 0.0008656000000000, -0.0002777500000000 ] - [ 0.0002608700000000, 0.0008237900000000, 0.0002799200000000 ] - [ -0.0001280700000000, 0.0008514600000000, -0.0000060200000000 ] - [ 0.0002502600000000, 0.0008656000000000, 0.0002777500000000 ] - [ 0.0002608700000000, 0.0008237900000000, -0.0002799200000000 ] - [ 0.0013262200000000, -0.0031186300000000, -0.0035238800000000 ] - [ 0.0003490600000000, -0.0008571400000000, -0.0013061200000000 ] - [ 0.0013300500000000, 0.0014007100000000, 0.0009016200000000 ] - [ -0.0000706000000000, -0.0008439700000000, -0.0012913300000000 ] - [ 0.0000819100000000, -0.0008647400000000, -0.0012997300000000 ] - [ -0.0000531600000000, -0.0008933300000000, -0.0013001700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0026712000000000, 0.0032011000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000759000000000, 0.0000000000000000 ] - [ -0.0026712000000000, 0.0032011000000000, 0.0000000000000000 ] - [ -0.0000030600000000, -0.0000336300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000126600000000, 0.0000000000000000 ] - [ 0.0000030600000000, -0.0000336300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000306400000000, 0.0000759900000000 ] - [ -0.0000434000000000, -0.0000119900000000, 0.0000347600000000 ] - [ 0.0000434000000000, -0.0000119900000000, 0.0000347600000000 ] - [ 0.0000000000000000, -0.0000306400000000, -0.0000759900000000 ] - [ -0.0000434000000000, -0.0000119900000000, -0.0000347600000000 ] - [ 0.0000434000000000, -0.0000119900000000, -0.0000347600000000 ] - [ 0.0000000000000000, -0.0005046300000000, 0.0000000000000000 ] - [ 0.0003434300000000, -0.0004027500000000, 0.0000000000000000 ] - [ -0.0003434300000000, -0.0004027500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000287200000000, 0.0000000000000000 ] - [ 0.0000095800000000, -0.0000302600000000, 0.0000000000000000 ] - [ -0.0000095800000000, -0.0000302600000000, 0.0000000000000000 ] - [ -0.0000164200000000, -0.0001206700000000, -0.0002159100000000 ] - [ 0.0000000000000000, 0.0000023900000000, -0.0000424900000000 ] - [ 0.0000164200000000, -0.0001206700000000, -0.0002159100000000 ] - [ -0.0000164200000000, -0.0001206700000000, 0.0002159100000000 ] - [ 0.0000000000000000, 0.0000023900000000, 0.0000424900000000 ] - [ 0.0000164200000000, -0.0001206700000000, 0.0002159100000000 ] - [ 0.0000000000000000, 0.0002643300000000, -0.0001651000000000 ] - [ -0.0000808300000000, 0.0000653600000000, -0.0000273000000000 ] - [ 0.0000808300000000, 0.0000653600000000, -0.0000273000000000 ] - [ 0.0000000000000000, 0.0056620500000000, -0.0098241400000000 ] - [ 0.0005556400000000, 0.0014220800000000, 0.0001121200000000 ] - [ -0.0005556400000000, 0.0014220800000000, 0.0001121200000000 ] - [ 0.0000000000000000, 0.0056620500000000, 0.0098241400000000 ] - [ 0.0005556400000000, 0.0014220800000000, -0.0001121200000000 ] - [ -0.0005556400000000, 0.0014220800000000, -0.0001121200000000 ] - [ 0.0000000000000000, 0.0002643300000000, 0.0001651000000000 ] - [ -0.0000808300000000, 0.0000653600000000, 0.0000273000000000 ] - [ 0.0000808300000000, 0.0000653600000000, 0.0000273000000000 ] - [ 0.0000105000000000, -0.0000258400000000, 0.0000116900000000 ] - [ 0.0000000000000000, -0.0000087100000000, 0.0000084500000000 ] - [ -0.0000105000000000, -0.0000258400000000, 0.0000116900000000 ] - [ -0.0000736300000000, -0.0002865100000000, -0.0001413200000000 ] - [ 0.0000000000000000, -0.0002120400000000, -0.0001040500000000 ] - [ 0.0000736300000000, -0.0002865100000000, -0.0001413200000000 ] - [ -0.0000736300000000, -0.0002865100000000, 0.0001413200000000 ] - [ 0.0000000000000000, -0.0002120400000000, 0.0001040500000000 ] - [ 0.0000736300000000, -0.0002865100000000, 0.0001413200000000 ] - [ 0.0000105000000000, -0.0000258400000000, -0.0000116900000000 ] - [ 0.0000000000000000, -0.0000087100000000, -0.0000084500000000 ] - [ -0.0000105000000000, -0.0000258400000000, -0.0000116900000000 ] - [ 0.0003104100000000, -0.0016133200000000, 0.0002544100000000 ] - [ 0.0000000000000000, -0.0020671600000000, 0.0000919400000000 ] - [ -0.0003104100000000, -0.0016133200000000, 0.0002544100000000 ] - [ 0.0003104100000000, -0.0016133200000000, -0.0002544100000000 ] - [ 0.0000000000000000, -0.0020671600000000, -0.0000919400000000 ] - [ -0.0003104100000000, -0.0016133200000000, -0.0002544100000000 ] - [ 0.0000000000000000, 0.0019639700000000, 0.0000000000000000 ] - [ -0.0000062200000000, 0.0020301300000000, 0.0000000000000000 ] - [ 0.0000062200000000, 0.0020301300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0021388900000000, 0.0000000000000000 ] - [ 0.0000015900000000, 0.0021429600000000, 0.0000000000000000 ] - [ -0.0000015900000000, 0.0021429600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0021945100000000, -0.0000240800000000 ] - [ -0.0000078400000000, -0.0021795800000000, -0.0000347600000000 ] - [ 0.0000078400000000, -0.0021795800000000, -0.0000347600000000 ] - [ 0.0000000000000000, -0.0021945100000000, 0.0000240800000000 ] - [ -0.0000078400000000, -0.0021795800000000, 0.0000347600000000 ] - [ 0.0000078400000000, -0.0021795800000000, 0.0000347600000000 ] - [ -0.0113181500000000, 0.0149267400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0030379900000000, 0.0000000000000000 ] - [ 0.0113181500000000, 0.0149267400000000, 0.0000000000000000 ] - [ -0.0000315100000000, 0.0021966600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0021342900000000, 0.0000000000000000 ] - [ 0.0000315100000000, 0.0021966600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0534412200000000, 0.0000000000000000 ] - [ 0.0008122200000000, -0.0018321100000000, 0.0000000000000000 ] - [ -0.0008122200000000, -0.0018321100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010302700000000, 0.0000000000000000 ] - [ 0.0000087900000000, -0.0008811500000000, 0.0000000000000000 ] - [ -0.0000087900000000, -0.0008811500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005005900000000, 0.0014241700000000 ] - [ 0.0000945000000000, -0.0005889100000000, 0.0014242200000000 ] - [ -0.0000945000000000, -0.0005889100000000, 0.0014242200000000 ] - [ 0.0000000000000000, -0.0008372000000000, 0.0013107800000000 ] - [ 0.0000000800000000, -0.0008447200000000, 0.0013099500000000 ] - [ -0.0000000800000000, -0.0008447200000000, 0.0013099500000000 ] - [ 0.0003813600000000, 0.0000244500000000, 0.0002224800000000 ] - [ 0.0000000000000000, 0.0006520100000000, 0.0013330500000000 ] - [ -0.0003813600000000, 0.0000244500000000, 0.0002224800000000 ] - [ 0.0000120200000000, 0.0007469300000000, 0.0015020000000000 ] - [ 0.0000000000000000, 0.0007745600000000, 0.0012528600000000 ] - [ -0.0000120200000000, 0.0007469300000000, 0.0015020000000000 ] - [ 0.0000120200000000, 0.0007469300000000, -0.0015020000000000 ] - [ 0.0000000000000000, 0.0007745600000000, -0.0012528600000000 ] - [ -0.0000120200000000, 0.0007469300000000, -0.0015020000000000 ] - [ 0.0003813600000000, 0.0000244500000000, -0.0002224800000000 ] - [ 0.0000000000000000, 0.0006520100000000, -0.0013330500000000 ] - [ -0.0003813600000000, 0.0000244500000000, -0.0002224800000000 ] - [ -0.0000004300000000, 0.0008953400000000, -0.0000294600000000 ] - [ 0.0000000000000000, 0.0009054900000000, -0.0000211400000000 ] - [ 0.0000004300000000, 0.0008953400000000, -0.0000294600000000 ] - [ -0.0000004300000000, 0.0008953400000000, 0.0000294600000000 ] - [ 0.0000000000000000, 0.0009054900000000, 0.0000211400000000 ] - [ 0.0000004300000000, 0.0008953400000000, 0.0000294600000000 ] - [ 0.0000000000000000, -0.0005005900000000, -0.0014241700000000 ] - [ 0.0000945000000000, -0.0005889100000000, -0.0014242200000000 ] - [ -0.0000945000000000, -0.0005889100000000, -0.0014242200000000 ] - [ 0.0000000000000000, -0.0008372000000000, -0.0013107800000000 ] - [ 0.0000000800000000, -0.0008447200000000, -0.0013099500000000 ] - [ -0.0000000800000000, -0.0008447200000000, -0.0013099500000000 ] - [ 0.0000231600000000, -0.0006934700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0007195400000000, 0.0000000000000000 ] - [ -0.0000231600000000, -0.0006934700000000, 0.0000000000000000 ] - [ 0.0000010800000000, -0.0008353300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008361200000000, 0.0000000000000000 ] - [ -0.0000010800000000, -0.0008353300000000, 0.0000000000000000 ] - [ -0.0027036900000000, 0.0011882000000000, -0.0013673000000000 ] - [ 0.0000000000000000, -0.0012381700000000, 0.0015155400000000 ] - [ 0.0027036900000000, 0.0011882000000000, -0.0013673000000000 ] - [ -0.0000360600000000, -0.0008864400000000, 0.0013514700000000 ] - [ 0.0000000000000000, -0.0008571700000000, 0.0012978500000000 ] - [ 0.0000360600000000, -0.0008864400000000, 0.0013514700000000 ] - [ 0.0000000000000000, 0.0010777200000000, 0.0012757900000000 ] - [ -0.0000057700000000, 0.0010577200000000, 0.0012932400000000 ] - [ 0.0000057700000000, 0.0010577200000000, 0.0012932400000000 ] - [ 0.0000000000000000, 0.0009217600000000, 0.0012988400000000 ] - [ -0.0000119800000000, 0.0008901800000000, 0.0013131900000000 ] - [ 0.0000119800000000, 0.0008901800000000, 0.0013131900000000 ] - [ 0.0000000000000000, 0.0009217600000000, -0.0012988400000000 ] - [ -0.0000119800000000, 0.0008901800000000, -0.0013131900000000 ] - [ 0.0000119800000000, 0.0008901800000000, -0.0013131900000000 ] - [ 0.0000000000000000, 0.0010777200000000, -0.0012757900000000 ] - [ -0.0000057700000000, 0.0010577200000000, -0.0012932400000000 ] - [ 0.0000057700000000, 0.0010577200000000, -0.0012932400000000 ] - [ 0.0000000000000000, 0.0010128700000000, 0.0006711600000000 ] - [ 0.0000198800000000, 0.0005532500000000, 0.0000590900000000 ] - [ -0.0000198800000000, 0.0005532500000000, 0.0000590900000000 ] - [ 0.0000000000000000, 0.0010128700000000, -0.0006711600000000 ] - [ 0.0000198800000000, 0.0005532500000000, -0.0000590900000000 ] - [ -0.0000198800000000, 0.0005532500000000, -0.0000590900000000 ] - [ -0.0027036900000000, 0.0011882000000000, 0.0013673000000000 ] - [ 0.0000000000000000, -0.0012381700000000, -0.0015155400000000 ] - [ 0.0027036900000000, 0.0011882000000000, 0.0013673000000000 ] - [ -0.0000360600000000, -0.0008864400000000, -0.0013514700000000 ] - [ 0.0000000000000000, -0.0008571700000000, -0.0012978500000000 ] - [ 0.0000360600000000, -0.0008864400000000, -0.0013514700000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0025831900000000, -0.0031369900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000471600000000, 0.0000000000000000 ] - [ 0.0025831900000000, -0.0031369900000000, 0.0000000000000000 ] - [ 0.0000041100000000, 0.0000034100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000134700000000, 0.0000000000000000 ] - [ -0.0000041100000000, 0.0000034100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000605500000000, -0.0000771600000000 ] - [ 0.0000438900000000, 0.0000407600000000, -0.0000347100000000 ] - [ -0.0000438900000000, 0.0000407600000000, -0.0000347100000000 ] - [ 0.0000000000000000, 0.0000605500000000, 0.0000771600000000 ] - [ 0.0000438900000000, 0.0000407600000000, 0.0000347100000000 ] - [ -0.0000438900000000, 0.0000407600000000, 0.0000347100000000 ] - [ 0.0000000000000000, 0.0004726900000000, 0.0000000000000000 ] - [ -0.0003416500000000, 0.0003700100000000, 0.0000000000000000 ] - [ 0.0003416500000000, 0.0003700100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000028600000000, 0.0000000000000000 ] - [ -0.0000105700000000, 0.0000012200000000, 0.0000000000000000 ] - [ 0.0000105700000000, 0.0000012200000000, 0.0000000000000000 ] - [ 0.0000162500000000, 0.0001510100000000, 0.0002156200000000 ] - [ 0.0000000000000000, 0.0000305100000000, 0.0000416000000000 ] - [ -0.0000162500000000, 0.0001510100000000, 0.0002156200000000 ] - [ 0.0000162500000000, 0.0001510100000000, -0.0002156200000000 ] - [ 0.0000000000000000, 0.0000305100000000, -0.0000416000000000 ] - [ -0.0000162500000000, 0.0001510100000000, -0.0002156200000000 ] - [ 0.0000000000000000, -0.0002627500000000, 0.0001598300000000 ] - [ 0.0000800100000000, -0.0000662500000000, 0.0000244300000000 ] - [ -0.0000800100000000, -0.0000662500000000, 0.0000244300000000 ] - [ 0.0000000000000000, -0.0055679200000000, 0.0098938200000000 ] - [ -0.0005584200000000, -0.0014199200000000, -0.0001026000000000 ] - [ 0.0005584200000000, -0.0014199200000000, -0.0001026000000000 ] - [ 0.0000000000000000, -0.0055679200000000, -0.0098938200000000 ] - [ -0.0005584200000000, -0.0014199200000000, 0.0001026000000000 ] - [ 0.0005584200000000, -0.0014199200000000, 0.0001026000000000 ] - [ 0.0000000000000000, -0.0002627500000000, -0.0001598300000000 ] - [ 0.0000800100000000, -0.0000662500000000, -0.0000244300000000 ] - [ -0.0000800100000000, -0.0000662500000000, -0.0000244300000000 ] - [ -0.0000110400000000, 0.0000258100000000, -0.0000112400000000 ] - [ 0.0000000000000000, 0.0000101100000000, -0.0000082500000000 ] - [ 0.0000110400000000, 0.0000258100000000, -0.0000112400000000 ] - [ 0.0000707700000000, 0.0002841100000000, 0.0001369900000000 ] - [ 0.0000000000000000, 0.0002107300000000, 0.0001042000000000 ] - [ -0.0000707700000000, 0.0002841100000000, 0.0001369900000000 ] - [ 0.0000707700000000, 0.0002841100000000, -0.0001369900000000 ] - [ 0.0000000000000000, 0.0002107300000000, -0.0001042000000000 ] - [ -0.0000707700000000, 0.0002841100000000, -0.0001369900000000 ] - [ -0.0000110400000000, 0.0000258100000000, 0.0000112400000000 ] - [ 0.0000000000000000, 0.0000101100000000, 0.0000082500000000 ] - [ 0.0000110400000000, 0.0000258100000000, 0.0000112400000000 ] - [ -0.0003066200000000, -0.0026759000000000, -0.0002525900000000 ] - [ 0.0000000000000000, -0.0022262300000000, -0.0000925200000000 ] - [ 0.0003066200000000, -0.0026759000000000, -0.0002525900000000 ] - [ -0.0003066200000000, -0.0026759000000000, 0.0002525900000000 ] - [ 0.0000000000000000, -0.0022262300000000, 0.0000925200000000 ] - [ 0.0003066200000000, -0.0026759000000000, 0.0002525900000000 ] - [ 0.0000000000000000, 0.0023277500000000, 0.0000000000000000 ] - [ 0.0000058700000000, 0.0022619400000000, 0.0000000000000000 ] - [ -0.0000058700000000, 0.0022619400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0021544700000000, 0.0000000000000000 ] - [ -0.0000012300000000, 0.0021508600000000, 0.0000000000000000 ] - [ 0.0000012300000000, 0.0021508600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0021001500000000, 0.0000237800000000 ] - [ 0.0000079300000000, -0.0021152100000000, 0.0000346300000000 ] - [ -0.0000079300000000, -0.0021152100000000, 0.0000346300000000 ] - [ 0.0000000000000000, -0.0021001500000000, -0.0000237800000000 ] - [ 0.0000079300000000, -0.0021152100000000, -0.0000346300000000 ] - [ -0.0000079300000000, -0.0021152100000000, -0.0000346300000000 ] - [ 0.0117456900000000, -0.0108391600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012482200000000, 0.0000000000000000 ] - [ -0.0117456900000000, -0.0108391600000000, 0.0000000000000000 ] - [ 0.0000314700000000, 0.0020958400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0021576600000000, 0.0000000000000000 ] - [ -0.0000314700000000, 0.0020958400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0518695300000000, 0.0000000000000000 ] - [ -0.0008270900000000, 0.0001456600000000, 0.0000000000000000 ] - [ 0.0008270900000000, 0.0001456600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006574200000000, 0.0000000000000000 ] - [ -0.0000103100000000, -0.0008053900000000, 0.0000000000000000 ] - [ 0.0000103100000000, -0.0008053900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012069800000000, 0.0011988000000000 ] - [ -0.0000938800000000, -0.0011192500000000, 0.0011995100000000 ] - [ 0.0000938800000000, -0.0011192500000000, 0.0011995100000000 ] - [ 0.0000000000000000, -0.0008742900000000, 0.0013122000000000 ] - [ -0.0000000200000000, -0.0008663100000000, 0.0013117000000000 ] - [ 0.0000000200000000, -0.0008663100000000, 0.0013117000000000 ] - [ -0.0003819800000000, 0.0016760400000000, 0.0023951600000000 ] - [ 0.0000000000000000, 0.0010572600000000, 0.0012915500000000 ] - [ 0.0003819800000000, 0.0016760400000000, 0.0023951600000000 ] - [ -0.0000130800000000, 0.0009625000000000, 0.0011211500000000 ] - [ 0.0000000000000000, 0.0009359800000000, 0.0013687100000000 ] - [ 0.0000130800000000, 0.0009625000000000, 0.0011211500000000 ] - [ -0.0000130800000000, 0.0009625000000000, -0.0011211500000000 ] - [ 0.0000000000000000, 0.0009359800000000, -0.0013687100000000 ] - [ 0.0000130800000000, 0.0009625000000000, -0.0011211500000000 ] - [ -0.0003819800000000, 0.0016760400000000, -0.0023951600000000 ] - [ 0.0000000000000000, 0.0010572600000000, -0.0012915500000000 ] - [ 0.0003819800000000, 0.0016760400000000, -0.0023951600000000 ] - [ 0.0000010700000000, 0.0007897800000000, 0.0000290000000000 ] - [ 0.0000000000000000, 0.0007800800000000, 0.0000207500000000 ] - [ -0.0000010700000000, 0.0007897800000000, 0.0000290000000000 ] - [ 0.0000010700000000, 0.0007897800000000, -0.0000290000000000 ] - [ 0.0000000000000000, 0.0007800800000000, -0.0000207500000000 ] - [ -0.0000010700000000, 0.0007897800000000, -0.0000290000000000 ] - [ 0.0000000000000000, -0.0012069800000000, -0.0011988000000000 ] - [ -0.0000938800000000, -0.0011192500000000, -0.0011995100000000 ] - [ 0.0000938800000000, -0.0011192500000000, -0.0011995100000000 ] - [ 0.0000000000000000, -0.0008742900000000, -0.0013122000000000 ] - [ -0.0000000200000000, -0.0008663100000000, -0.0013117000000000 ] - [ 0.0000000200000000, -0.0008663100000000, -0.0013117000000000 ] - [ -0.0000231300000000, -0.0009907300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009639300000000, 0.0000000000000000 ] - [ 0.0000231300000000, -0.0009907300000000, 0.0000000000000000 ] - [ -0.0000001800000000, -0.0008501000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008505500000000, 0.0000000000000000 ] - [ 0.0000001800000000, -0.0008501000000000, 0.0000000000000000 ] - [ 0.0027247200000000, -0.0029108300000000, 0.0040110600000000 ] - [ 0.0000000000000000, -0.0004744500000000, 0.0011068600000000 ] - [ -0.0027247200000000, -0.0029108300000000, 0.0040110600000000 ] - [ 0.0000355800000000, -0.0008224500000000, 0.0012693200000000 ] - [ 0.0000000000000000, -0.0008530800000000, 0.0013246300000000 ] - [ -0.0000355800000000, -0.0008224500000000, 0.0012693200000000 ] - [ 0.0000000000000000, 0.0006350000000000, 0.0013479600000000 ] - [ 0.0000057900000000, 0.0006550100000000, 0.0013295400000000 ] - [ -0.0000057900000000, 0.0006550100000000, 0.0013295400000000 ] - [ 0.0000000000000000, 0.0007893700000000, 0.0013246600000000 ] - [ 0.0000120200000000, 0.0008210000000000, 0.0013098600000000 ] - [ -0.0000120200000000, 0.0008210000000000, 0.0013098600000000 ] - [ 0.0000000000000000, 0.0007893700000000, -0.0013246600000000 ] - [ 0.0000120200000000, 0.0008210000000000, -0.0013098600000000 ] - [ -0.0000120200000000, 0.0008210000000000, -0.0013098600000000 ] - [ 0.0000000000000000, 0.0006350000000000, -0.0013479600000000 ] - [ 0.0000057900000000, 0.0006550100000000, -0.0013295400000000 ] - [ -0.0000057900000000, 0.0006550100000000, -0.0013295400000000 ] - [ 0.0000000000000000, 0.0006705300000000, -0.0006575100000000 ] - [ -0.0000191600000000, 0.0011309400000000, -0.0000587300000000 ] - [ 0.0000191600000000, 0.0011309400000000, -0.0000587300000000 ] - [ 0.0000000000000000, 0.0006705300000000, 0.0006575100000000 ] - [ -0.0000191600000000, 0.0011309400000000, 0.0000587300000000 ] - [ 0.0000191600000000, 0.0011309400000000, 0.0000587300000000 ] - [ 0.0027247200000000, -0.0029108300000000, -0.0040110600000000 ] - [ 0.0000000000000000, -0.0004744500000000, -0.0011068600000000 ] - [ -0.0027247200000000, -0.0029108300000000, -0.0040110600000000 ] - [ 0.0000355800000000, -0.0008224500000000, -0.0012693200000000 ] - [ 0.0000000000000000, -0.0008530800000000, -0.0013246300000000 ] - [ -0.0000355800000000, -0.0008224500000000, -0.0012693200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000044900000000, -0.0000177300000000, 0.0000907900000000 ] - [ 0.0000000000000000, -0.0000122800000000, 0.0002257500000000 ] - [ 0.0000044900000000, -0.0000177300000000, 0.0000907900000000 ] - [ 0.0000002400000000, -0.0000134100000000, -0.0002280100000000 ] - [ 0.0000000000000000, -0.0000114200000000, -0.0001706900000000 ] - [ -0.0000002400000000, -0.0000134100000000, -0.0002280100000000 ] - [ 0.0000000000000000, 0.0003558500000000, -0.0001555600000000 ] - [ 0.0000872700000000, 0.0002738700000000, -0.0000879000000000 ] - [ -0.0000872700000000, 0.0002738700000000, -0.0000879000000000 ] - [ 0.0000000000000000, -0.0003322100000000, -0.0001542000000000 ] - [ -0.0000861800000000, -0.0002500400000000, -0.0000876700000000 ] - [ 0.0000861800000000, -0.0002500400000000, -0.0000876700000000 ] - [ 0.0000000000000000, -0.0000110300000000, 0.0006489500000000 ] - [ 0.0000004200000000, -0.0000106000000000, 0.0005594900000000 ] - [ -0.0000004200000000, -0.0000106000000000, 0.0005594900000000 ] - [ 0.0000000000000000, -0.0000109200000000, -0.0001794200000000 ] - [ -0.0000001500000000, -0.0000120800000000, -0.0001489100000000 ] - [ 0.0000001500000000, -0.0000120800000000, -0.0001489100000000 ] - [ 0.0000627300000000, -0.0003347700000000, -0.0002258900000000 ] - [ 0.0000000000000000, -0.0001183000000000, -0.0000616300000000 ] - [ -0.0000627300000000, -0.0003347700000000, -0.0002258900000000 ] - [ -0.0000639300000000, 0.0003598500000000, -0.0002238800000000 ] - [ 0.0000000000000000, 0.0001434600000000, -0.0000588500000000 ] - [ 0.0000639300000000, 0.0003598500000000, -0.0002238800000000 ] - [ 0.0000000000000000, 0.0003383500000000, -0.0021287200000000 ] - [ 0.0002157900000000, -0.0001247800000000, -0.0007998100000000 ] - [ -0.0002157900000000, -0.0001247800000000, -0.0007998100000000 ] - [ 0.0000000000000000, -0.0084526100000000, 0.0198677600000000 ] - [ -0.0011074500000000, -0.0003299600000000, 0.0008883400000000 ] - [ 0.0011074500000000, -0.0003299600000000, 0.0008883400000000 ] - [ 0.0000000000000000, 0.0080185000000000, 0.0188761400000000 ] - [ 0.0011110000000000, 0.0003322400000000, 0.0008827200000000 ] - [ -0.0011110000000000, 0.0003322400000000, 0.0008827200000000 ] - [ 0.0000000000000000, -0.0003423100000000, -0.0021335800000000 ] - [ -0.0002170900000000, 0.0001245400000000, -0.0007976800000000 ] - [ 0.0002170900000000, 0.0001245400000000, -0.0007976800000000 ] - [ 0.0000177100000000, -0.0000428900000000, -0.0002482100000000 ] - [ 0.0000000000000000, -0.0000350200000000, -0.0002430600000000 ] - [ -0.0000177100000000, -0.0000428900000000, -0.0002482100000000 ] - [ -0.0000296500000000, 0.0000780200000000, 0.0002588900000000 ] - [ 0.0000000000000000, 0.0000791600000000, 0.0002627900000000 ] - [ 0.0000296500000000, 0.0000780200000000, 0.0002588900000000 ] - [ 0.0000293700000000, -0.0000774700000000, 0.0002591900000000 ] - [ 0.0000000000000000, -0.0000793600000000, 0.0002624400000000 ] - [ -0.0000293700000000, -0.0000774700000000, 0.0002591900000000 ] - [ -0.0000189800000000, 0.0000434800000000, -0.0002490600000000 ] - [ 0.0000000000000000, 0.0000363900000000, -0.0002437900000000 ] - [ 0.0000189800000000, 0.0000434800000000, -0.0002490600000000 ] - [ 0.0002295400000000, -0.0022700600000000, -0.0006750400000000 ] - [ 0.0000000000000000, -0.0018900000000000, -0.0000761300000000 ] - [ -0.0002295400000000, -0.0022700600000000, -0.0006750400000000 ] - [ -0.0002326400000000, -0.0020273500000000, -0.0006734900000000 ] - [ 0.0000000000000000, -0.0024051300000000, -0.0000750900000000 ] - [ 0.0002326400000000, -0.0020273500000000, -0.0006734900000000 ] - [ 0.0000000000000000, 0.0021466000000000, 0.0002558900000000 ] - [ -0.0000000800000000, 0.0021467200000000, 0.0002208600000000 ] - [ 0.0000000800000000, 0.0021467200000000, 0.0002208600000000 ] - [ 0.0000000000000000, 0.0021472000000000, -0.0001770200000000 ] - [ 0.0000000400000000, 0.0021476900000000, -0.0001706800000000 ] - [ -0.0000000400000000, 0.0021476900000000, -0.0001706800000000 ] - [ 0.0000000000000000, -0.0021520900000000, -0.0000575700000000 ] - [ -0.0000050200000000, -0.0021341400000000, -0.0000607900000000 ] - [ 0.0000050200000000, -0.0021341400000000, -0.0000607900000000 ] - [ 0.0000000000000000, -0.0021436100000000, -0.0000566700000000 ] - [ 0.0000049900000000, -0.0021614900000000, -0.0000602800000000 ] - [ -0.0000049900000000, -0.0021614900000000, -0.0000602800000000 ] - [ -0.0000163900000000, 0.0021657600000000, 0.0026674700000000 ] - [ 0.0000000000000000, 0.0021444200000000, 0.0005369500000000 ] - [ 0.0000163900000000, 0.0021657600000000, 0.0026674700000000 ] - [ -0.0000001000000000, 0.0021474300000000, -0.0004632100000000 ] - [ 0.0000000000000000, 0.0021476500000000, -0.0002643700000000 ] - [ 0.0000001000000000, 0.0021474300000000, -0.0004632100000000 ] - [ 0.0000000000000000, -0.0004344800000000, -0.0648888900000000 ] - [ -0.0000008800000000, -0.0008440000000000, -0.0010362100000000 ] - [ 0.0000008800000000, -0.0008440000000000, -0.0010362100000000 ] - [ 0.0000000000000000, -0.0008415100000000, 0.0013982000000000 ] - [ 0.0000005700000000, -0.0008425600000000, 0.0006038500000000 ] - [ -0.0000005700000000, -0.0008425600000000, 0.0006038500000000 ] - [ 0.0000000000000000, -0.0008349700000000, 0.0010980500000000 ] - [ -0.0000039000000000, -0.0008578200000000, 0.0011105300000000 ] - [ 0.0000039000000000, -0.0008578200000000, 0.0011105300000000 ] - [ 0.0000000000000000, -0.0008660900000000, 0.0014791000000000 ] - [ -0.0000021700000000, -0.0008692000000000, 0.0014780700000000 ] - [ 0.0000021700000000, -0.0008692000000000, 0.0014780700000000 ] - [ -0.0020021200000000, 0.0003715000000000, 0.0033354800000000 ] - [ 0.0000000000000000, 0.0007191600000000, 0.0012090200000000 ] - [ 0.0020021200000000, 0.0003715000000000, 0.0033354800000000 ] - [ 0.0001185600000000, 0.0009337300000000, 0.0019799600000000 ] - [ 0.0000000000000000, 0.0009178400000000, 0.0015926000000000 ] - [ -0.0001185600000000, 0.0009337300000000, 0.0019799600000000 ] - [ -0.0001171600000000, 0.0007762200000000, -0.0006451200000000 ] - [ 0.0000000000000000, 0.0007922300000000, -0.0010333800000000 ] - [ 0.0001171600000000, 0.0007762200000000, -0.0006451200000000 ] - [ 0.0020193500000000, 0.0013439900000000, 0.0007258300000000 ] - [ 0.0000000000000000, 0.0009906400000000, -0.0014200300000000 ] - [ -0.0020193500000000, 0.0013439900000000, 0.0007258300000000 ] - [ -0.0000106200000000, 0.0008139300000000, 0.0000332900000000 ] - [ 0.0000000000000000, 0.0008227500000000, 0.0000389000000000 ] - [ 0.0000106200000000, 0.0008139300000000, 0.0000332900000000 ] - [ 0.0000109300000000, 0.0008716900000000, 0.0000325700000000 ] - [ 0.0000000000000000, 0.0008630800000000, 0.0000383800000000 ] - [ -0.0000109300000000, 0.0008716900000000, 0.0000325700000000 ] - [ 0.0000000000000000, -0.0008759600000000, -0.0015277800000000 ] - [ 0.0000034900000000, -0.0008514900000000, -0.0015126400000000 ] - [ -0.0000034900000000, -0.0008514900000000, -0.0015126400000000 ] - [ 0.0000000000000000, -0.0008435700000000, -0.0011435100000000 ] - [ 0.0000024800000000, -0.0008415600000000, -0.0011462000000000 ] - [ -0.0000024800000000, -0.0008415600000000, -0.0011462000000000 ] - [ 0.0000010200000000, -0.0008427200000000, -0.0002622600000000 ] - [ 0.0000000000000000, -0.0008432700000000, -0.0002579700000000 ] - [ -0.0000010200000000, -0.0008427200000000, -0.0002622600000000 ] - [ -0.0000007300000000, -0.0008436700000000, 0.0002138200000000 ] - [ 0.0000000000000000, -0.0008432700000000, 0.0002131200000000 ] - [ 0.0000007300000000, -0.0008436700000000, 0.0002138200000000 ] - [ 0.0026413200000000, -0.0034666200000000, 0.0022505300000000 ] - [ 0.0000000000000000, -0.0008495600000000, 0.0007355900000000 ] - [ -0.0026413200000000, -0.0034666200000000, 0.0022505300000000 ] - [ -0.0001589200000000, -0.0008365700000000, 0.0019344200000000 ] - [ 0.0000000000000000, -0.0008254900000000, 0.0017101800000000 ] - [ 0.0001589200000000, -0.0008365700000000, 0.0019344200000000 ] - [ 0.0000000000000000, 0.0009978400000000, 0.0012724500000000 ] - [ -0.0000321600000000, 0.0009873000000000, 0.0012678800000000 ] - [ 0.0000321600000000, 0.0009873000000000, 0.0012678800000000 ] - [ 0.0000000000000000, 0.0007524500000000, 0.0014287600000000 ] - [ 0.0000156100000000, 0.0007929200000000, 0.0014186200000000 ] - [ -0.0000156100000000, 0.0007929200000000, 0.0014186200000000 ] - [ 0.0000000000000000, 0.0009579900000000, -0.0011966400000000 ] - [ -0.0000155400000000, 0.0009174700000000, -0.0012061200000000 ] - [ 0.0000155400000000, 0.0009174700000000, -0.0012061200000000 ] - [ 0.0000000000000000, 0.0007125200000000, -0.0013540700000000 ] - [ 0.0000319500000000, 0.0007226300000000, -0.0013579100000000 ] - [ -0.0000319500000000, 0.0007226300000000, -0.0013579100000000 ] - [ 0.0000000000000000, 0.0015078500000000, 0.0049200300000000 ] - [ -0.0002803100000000, 0.0009014600000000, 0.0003137500000000 ] - [ 0.0002803100000000, 0.0009014600000000, 0.0003137500000000 ] - [ 0.0000000000000000, 0.0001781900000000, 0.0049536300000000 ] - [ 0.0002784100000000, 0.0007830900000000, 0.0003118800000000 ] - [ -0.0002784100000000, 0.0007830900000000, 0.0003118800000000 ] - [ -0.0026387900000000, 0.0017525400000000, -0.0003636100000000 ] - [ 0.0000000000000000, -0.0008564200000000, -0.0018821000000000 ] - [ 0.0026387900000000, 0.0017525400000000, -0.0003636100000000 ] - [ 0.0001597600000000, -0.0008730700000000, -0.0006917000000000 ] - [ 0.0000000000000000, -0.0008833200000000, -0.0009158700000000 ] - [ -0.0001597600000000, -0.0008730700000000, -0.0006917000000000 ]- atom: 79 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0017267800000000, -0.0013863600000000, -0.0013690000000000 ] - [ -0.0002303000000000, -0.0000268900000000, 0.0000238000000000 ] - [ 0.0019428500000000, 0.0015129100000000, 0.0018278700000000 ] - [ 0.0000248900000000, 0.0001653900000000, -0.0000103700000000 ] - [ 0.0000058600000000, 0.0000616300000000, -0.0000258800000000 ] - [ -0.0000468400000000, 0.0001042700000000, -0.0000064800000000 ] - [ 0.0001879500000000, 0.0000119300000000, 0.0000894400000000 ] - [ -0.0001343500000000, 0.0000461300000000, 0.0001315400000000 ] - [ -0.0000430900000000, -0.0002339100000000, -0.0000091900000000 ] - [ 0.0000711000000000, 0.0002906300000000, -0.0000955200000000 ] - [ 0.0000257200000000, 0.0003638600000000, -0.0002238500000000 ] - [ -0.0001617700000000, 0.0000869500000000, 0.0000894700000000 ] - [ 0.0000681200000000, -0.0001615000000000, 0.0000124300000000 ] - [ -0.0000656700000000, 0.0005679400000000, 0.0000479800000000 ] - [ 0.0000725700000000, 0.0001492700000000, -0.0000084200000000 ] - [ -0.0000433300000000, -0.0002284800000000, -0.0000237200000000 ] - [ 0.0000781600000000, -0.0001848200000000, -0.0000608200000000 ] - [ -0.0000475200000000, -0.0001482400000000, -0.0000083600000000 ] - [ -0.0001992100000000, 0.0000344000000000, 0.0001156400000000 ] - [ 0.0000163900000000, 0.0000187300000000, 0.0000502200000000 ] - [ 0.0001929900000000, 0.0000865900000000, 0.0000711000000000 ] - [ -0.0000835200000000, -0.0001089900000000, -0.0001391800000000 ] - [ -0.0000452900000000, -0.0000879300000000, -0.0000609500000000 ] - [ 0.0001143800000000, -0.0002705600000000, 0.0000284300000000 ] - [ 0.0001724800000000, -0.0000640500000000, 0.0003090100000000 ] - [ -0.0001404100000000, -0.0000229400000000, 0.0003200200000000 ] - [ 0.0000968400000000, -0.0001065300000000, 0.0001013700000000 ] - [ 0.0005100000000000, 0.0005590100000000, -0.0006962900000000 ] - [ -0.0005020700000000, 0.0005367600000000, -0.0006871000000000 ] - [ 0.0001012700000000, 0.0002341000000000, -0.0000072600000000 ] - [ 0.0005332500000000, 0.0004557000000000, 0.0004182200000000 ] - [ -0.0005998700000000, 0.0004803400000000, 0.0004122000000000 ] - [ 0.0001266100000000, 0.0001428500000000, -0.0001693500000000 ] - [ 0.0001156700000000, 0.0000244400000000, -0.0000684200000000 ] - [ -0.0000902700000000, 0.0000610400000000, -0.0001792000000000 ] - [ 0.0000436100000000, 0.0000530700000000, 0.0000172100000000 ] - [ 0.0000267300000000, -0.0000453200000000, -0.0000970400000000 ] - [ -0.0001491000000000, -0.0000181200000000, -0.0001959000000000 ] - [ 0.0000568600000000, 0.0000208100000000, -0.0001599500000000 ] - [ 0.0110300800000000, 0.0091743200000000, 0.0012213500000000 ] - [ -0.0055118500000000, -0.0007146300000000, -0.0002359000000000 ] - [ 0.0113875400000000, -0.0101643300000000, -0.0018665900000000 ] - [ 0.0001509800000000, -0.0004068500000000, 0.0020820400000000 ] - [ -0.0013789900000000, -0.0007065400000000, 0.0004069800000000 ] - [ 0.0010500900000000, -0.0011404300000000, -0.0009185700000000 ] - [ 0.0003558300000000, -0.0002095600000000, -0.0006784400000000 ] - [ -0.0004976700000000, -0.0000505100000000, 0.0000226300000000 ] - [ 0.0002802500000000, 0.0002102100000000, 0.0005378000000000 ] - [ -0.0000480600000000, -0.0020119200000000, 0.0006928200000000 ] - [ -0.0000100500000000, -0.0024251900000000, 0.0001056100000000 ] - [ 0.0000562100000000, -0.0024373400000000, 0.0000793100000000 ] - [ -0.0000151500000000, -0.0021245700000000, -0.0006366900000000 ] - [ -0.0000166200000000, -0.0023505900000000, -0.0001054100000000 ] - [ 0.0000250400000000, -0.0024642300000000, -0.0000640100000000 ] - [ 0.0028372500000000, 0.0019018600000000, 0.0000483800000000 ] - [ -0.0008757800000000, 0.0018578000000000, 0.0006547300000000 ] - [ -0.0005729800000000, 0.0026200000000000, -0.0005022400000000 ] - [ 0.0000507300000000, 0.0024325100000000, -0.0000534800000000 ] - [ -0.0000196300000000, 0.0023961300000000, -0.0001133100000000 ] - [ -0.0000206600000000, 0.0024668600000000, -0.0000418200000000 ] - [ 0.0001256600000000, -0.0023567000000000, 0.0000047600000000 ] - [ -0.0000593700000000, -0.0023566500000000, 0.0000498900000000 ] - [ 0.0000018400000000, -0.0025900600000000, -0.0001557200000000 ] - [ 0.0006570300000000, -0.0023824100000000, -0.0000328800000000 ] - [ -0.0003828800000000, -0.0022856700000000, -0.0002789200000000 ] - [ -0.0003495900000000, -0.0025814800000000, 0.0003634600000000 ] - [ 0.0000423500000000, 0.0026738400000000, -0.0000451100000000 ] - [ -0.0009182200000000, 0.0028798500000000, -0.0000505500000000 ] - [ 0.0008496600000000, 0.0028543800000000, -0.0000978300000000 ] - [ 0.0000263800000000, 0.0024137000000000, 0.0000879400000000 ] - [ 0.0000028900000000, 0.0023380200000000, 0.0000608500000000 ] - [ -0.0000375100000000, 0.0023831500000000, 0.0001027400000000 ] - [ -0.0009602200000000, -0.0022270200000000, 0.0002403900000000 ] - [ 0.0009351700000000, -0.0022691500000000, 0.0001861700000000 ] - [ 0.0000872200000000, -0.0009801600000000, 0.0001410000000000 ] - [ -0.0000147900000000, -0.0009012700000000, -0.0001842500000000 ] - [ -0.0000016400000000, -0.0009468700000000, -0.0001616600000000 ] - [ 0.0000299500000000, -0.0008924700000000, -0.0001528400000000 ] - [ -0.0438786500000000, 0.0001717300000000, 0.0019556400000000 ] - [ 0.0059315600000000, 0.0008086300000000, 0.0019978700000000 ] - [ 0.0052389800000000, -0.0008551200000000, 0.0017040100000000 ] - [ -0.0000696700000000, -0.0009072000000000, 0.0014723300000000 ] - [ 0.0000012000000000, -0.0008842100000000, 0.0015348200000000 ] - [ 0.0000789800000000, -0.0009127400000000, 0.0015689600000000 ] - [ 0.0000519700000000, -0.0001050100000000, 0.0004650100000000 ] - [ 0.0001691400000000, 0.0010543600000000, 0.0011587300000000 ] - [ -0.0002039900000000, 0.0011391000000000, 0.0011670000000000 ] - [ 0.0000225000000000, 0.0005064000000000, 0.0016674600000000 ] - [ -0.0000875400000000, 0.0007204200000000, 0.0014586300000000 ] - [ 0.0000591800000000, 0.0007966100000000, 0.0015013400000000 ] - [ 0.0000199600000000, 0.0007782800000000, -0.0016374400000000 ] - [ 0.0000266800000000, 0.0012112000000000, -0.0013402000000000 ] - [ -0.0000679000000000, 0.0012460600000000, -0.0013460700000000 ] - [ 0.0000058700000000, -0.0002127800000000, -0.0006293300000000 ] - [ 0.0000068100000000, 0.0006253100000000, -0.0012791500000000 ] - [ -0.0000493600000000, 0.0006921400000000, -0.0013755100000000 ] - [ -0.0000677200000000, 0.0010312600000000, -0.0001294600000000 ] - [ 0.0002998900000000, 0.0008061500000000, 0.0000658800000000 ] - [ -0.0001737400000000, 0.0008085300000000, 0.0002220000000000 ] - [ 0.0002125000000000, 0.0014091500000000, 0.0020465000000000 ] - [ 0.0003361900000000, 0.0009456000000000, -0.0000763900000000 ] - [ 0.0001507600000000, 0.0006306400000000, -0.0020698900000000 ] - [ -0.0013863600000000, 0.0008734400000000, -0.0023033300000000 ] - [ 0.0009071200000000, 0.0007053100000000, -0.0026099100000000 ] - [ 0.0002877400000000, -0.0005899900000000, -0.0013948000000000 ] - [ -0.0002089800000000, -0.0010138600000000, -0.0013603900000000 ] - [ 0.0000736500000000, -0.0009875400000000, -0.0012999600000000 ] - [ 0.0001755500000000, -0.0009629000000000, -0.0015030700000000 ] - [ 0.0014485500000000, 0.0023339700000000, -0.0028028100000000 ] - [ 0.0005099300000000, -0.0005541500000000, -0.0001415100000000 ] - [ 0.0010523800000000, -0.0034057400000000, 0.0025052000000000 ] - [ -0.0000772300000000, -0.0008500600000000, 0.0002980400000000 ] - [ 0.0001077500000000, -0.0009065700000000, 0.0001404500000000 ] - [ -0.0000762700000000, -0.0009446000000000, -0.0000565300000000 ] - [ 0.0000997800000000, -0.0011706300000000, 0.0017497800000000 ] - [ 0.0000957200000000, -0.0013743100000000, 0.0015889300000000 ] - [ -0.0001759100000000, -0.0012758300000000, 0.0016857800000000 ] - [ 0.0000070500000000, -0.0008200400000000, 0.0013817700000000 ] - [ -0.0001209800000000, -0.0008836800000000, 0.0013110000000000 ] - [ 0.0000763800000000, -0.0008778200000000, 0.0013317300000000 ] - [ -0.0003542600000000, 0.0008664700000000, 0.0013271400000000 ] - [ 0.0003518000000000, 0.0010048100000000, 0.0010496200000000 ] - [ 0.0001902300000000, 0.0010668600000000, 0.0016647100000000 ] - [ -0.0003481400000000, 0.0008785100000000, 0.0015293700000000 ] - [ 0.0002811800000000, 0.0010093700000000, 0.0017833400000000 ] - [ 0.0002400200000000, 0.0008900300000000, 0.0011803500000000 ] - [ -0.0000918500000000, 0.0007874900000000, -0.0014257700000000 ] - [ 0.0001785800000000, 0.0009394100000000, -0.0014724300000000 ] - [ -0.0000021100000000, 0.0009601700000000, -0.0013366900000000 ] - [ -0.0016426300000000, 0.0009578300000000, -0.0014296800000000 ] - [ 0.0042248500000000, 0.0028071200000000, -0.0005816300000000 ] - [ 0.0041133500000000, -0.0007007900000000, -0.0022867400000000 ] - [ -0.0001531700000000, 0.0006875600000000, -0.0003130800000000 ] - [ 0.0002403900000000, 0.0006389400000000, -0.0003008800000000 ] - [ -0.0000813500000000, 0.0006720300000000, -0.0000799700000000 ] - [ -0.0001477000000000, 0.0008325300000000, 0.0003041800000000 ] - [ 0.0002046200000000, 0.0008247200000000, 0.0003102100000000 ] - [ -0.0000184400000000, 0.0008310500000000, 0.0001144700000000 ] - [ 0.0001424000000000, -0.0012830400000000, -0.0016256000000000 ] - [ 0.0000577000000000, -0.0014420900000000, -0.0014313800000000 ] - [ -0.0001962500000000, -0.0012865200000000, -0.0014527200000000 ] - [ -0.0000146200000000, -0.0007182900000000, -0.0015840000000000 ] - [ -0.0000989600000000, -0.0007793800000000, -0.0014943900000000 ] - [ 0.0000959300000000, -0.0008444500000000, -0.0015478600000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013462300000000, 0.0013525000000000, 0.0014886400000000 ] - [ 0.0000000000000000, 0.0000728800000000, -0.0000112800000000 ] - [ 0.0013462300000000, 0.0013525000000000, 0.0014886400000000 ] - [ 0.0000035900000000, 0.0000598900000000, 0.0000050800000000 ] - [ 0.0000000000000000, 0.0000536200000000, -0.0000021800000000 ] - [ -0.0000035900000000, 0.0000598900000000, 0.0000050800000000 ] - [ 0.0000000000000000, 0.0000246600000000, -0.0000898000000000 ] - [ 0.0000220900000000, 0.0000795400000000, -0.0000177500000000 ] - [ -0.0000220900000000, 0.0000795400000000, -0.0000177500000000 ] - [ 0.0000000000000000, -0.0001307500000000, 0.0002850200000000 ] - [ 0.0001608300000000, 0.0001075700000000, 0.0001136300000000 ] - [ -0.0001608300000000, 0.0001075700000000, 0.0001136300000000 ] - [ 0.0000000000000000, -0.0005218900000000, 0.0001959400000000 ] - [ -0.0000693000000000, -0.0003134300000000, 0.0000557900000000 ] - [ 0.0000693000000000, -0.0003134300000000, 0.0000557900000000 ] - [ 0.0000000000000000, -0.0000782200000000, -0.0000237300000000 ] - [ -0.0000035800000000, -0.0000680000000000, -0.0000037200000000 ] - [ 0.0000035800000000, -0.0000680000000000, -0.0000037200000000 ] - [ 0.0000081200000000, -0.0000772600000000, 0.0000019500000000 ] - [ 0.0000000000000000, -0.0000836300000000, 0.0000042100000000 ] - [ -0.0000081200000000, -0.0000772600000000, 0.0000019500000000 ] - [ -0.0001247200000000, -0.0003316400000000, -0.0002841200000000 ] - [ 0.0000000000000000, -0.0002169300000000, -0.0001637200000000 ] - [ 0.0001247200000000, -0.0003316400000000, -0.0002841200000000 ] - [ 0.0000000000000000, -0.0000081700000000, -0.0000702300000000 ] - [ 0.0000143600000000, -0.0000050500000000, -0.0000417800000000 ] - [ -0.0000143600000000, -0.0000050500000000, -0.0000417800000000 ] - [ 0.0000000000000000, -0.0005913400000000, 0.0000054300000000 ] - [ 0.0002587700000000, -0.0003061500000000, 0.0000149600000000 ] - [ -0.0002587700000000, -0.0003061500000000, 0.0000149600000000 ] - [ 0.0000000000000000, -0.0001728300000000, -0.0002067100000000 ] - [ 0.0000574900000000, -0.0000826000000000, -0.0001093400000000 ] - [ -0.0000574900000000, -0.0000826000000000, -0.0001093400000000 ] - [ 0.0000000000000000, -0.0000955700000000, 0.0001223500000000 ] - [ 0.0000616700000000, -0.0000495200000000, 0.0000927400000000 ] - [ -0.0000616700000000, -0.0000495200000000, 0.0000927400000000 ] - [ 0.0000206700000000, 0.0000132200000000, -0.0000204800000000 ] - [ 0.0000000000000000, 0.0000026300000000, 0.0000301500000000 ] - [ -0.0000206700000000, 0.0000132200000000, -0.0000204800000000 ] - [ 0.0122740200000000, 0.0159009000000000, 0.0035516400000000 ] - [ 0.0000000000000000, 0.0013350900000000, 0.0004395500000000 ] - [ -0.0122740200000000, 0.0159009000000000, 0.0035516400000000 ] - [ 0.0003481800000000, 0.0010354800000000, 0.0011984100000000 ] - [ 0.0000000000000000, 0.0002365100000000, 0.0000347800000000 ] - [ -0.0003481800000000, 0.0010354800000000, 0.0011984100000000 ] - [ -0.0001113000000000, 0.0000993000000000, -0.0000286000000000 ] - [ 0.0000000000000000, -0.0000045100000000, -0.0001345100000000 ] - [ 0.0001113000000000, 0.0000993000000000, -0.0000286000000000 ] - [ 0.0000115000000000, -0.0021937900000000, -0.0001083400000000 ] - [ 0.0000000000000000, -0.0021413900000000, -0.0000255200000000 ] - [ -0.0000115000000000, -0.0021937900000000, -0.0001083400000000 ] - [ -0.0000305800000000, -0.0023031300000000, 0.0002936700000000 ] - [ 0.0000000000000000, -0.0021401600000000, 0.0000310400000000 ] - [ 0.0000305800000000, -0.0023031300000000, 0.0002936700000000 ] - [ 0.0000000000000000, 0.0164739300000000, -0.0185736000000000 ] - [ -0.0004085600000000, 0.0028329200000000, -0.0001333200000000 ] - [ 0.0004085600000000, 0.0028329200000000, -0.0001333200000000 ] - [ 0.0000000000000000, 0.0021711000000000, -0.0000070700000000 ] - [ 0.0000017400000000, 0.0021489900000000, -0.0000164800000000 ] - [ -0.0000017400000000, 0.0021489900000000, -0.0000164800000000 ] - [ 0.0000000000000000, -0.0020586200000000, 0.0000369900000000 ] - [ 0.0000852600000000, -0.0020304300000000, 0.0000979600000000 ] - [ -0.0000852600000000, -0.0020304300000000, 0.0000979600000000 ] - [ 0.0000000000000000, -0.0013289300000000, -0.0007285300000000 ] - [ 0.0001715300000000, -0.0017838800000000, -0.0005619200000000 ] - [ -0.0001715300000000, -0.0017838800000000, -0.0005619200000000 ] - [ 0.0001420500000000, 0.0019630400000000, 0.0000508800000000 ] - [ 0.0000000000000000, 0.0019757600000000, 0.0000303600000000 ] - [ -0.0001420500000000, 0.0019630400000000, 0.0000508800000000 ] - [ 0.0000007400000000, 0.0021381200000000, -0.0000089000000000 ] - [ 0.0000000000000000, 0.0021450100000000, -0.0000066600000000 ] - [ -0.0000007400000000, 0.0021381200000000, -0.0000089000000000 ] - [ 0.0000000000000000, -0.0004903700000000, 0.0000211500000000 ] - [ -0.0001219400000000, -0.0005778300000000, -0.0000025200000000 ] - [ 0.0001219400000000, -0.0005778300000000, -0.0000025200000000 ] - [ 0.0000000000000000, -0.0008248600000000, -0.0000095200000000 ] - [ -0.0000086900000000, -0.0008318300000000, -0.0000122000000000 ] - [ 0.0000086900000000, -0.0008318300000000, -0.0000122000000000 ] - [ 0.0000000000000000, -0.0597580500000000, 0.0094322200000000 ] - [ -0.0002159000000000, -0.0021176500000000, 0.0012444300000000 ] - [ 0.0002159000000000, -0.0021176500000000, 0.0012444300000000 ] - [ 0.0000000000000000, -0.0008832000000000, 0.0013292400000000 ] - [ -0.0000032400000000, -0.0008769600000000, 0.0013342100000000 ] - [ 0.0000032400000000, -0.0008769600000000, 0.0013342100000000 ] - [ -0.0000266000000000, 0.0009724500000000, 0.0014311600000000 ] - [ 0.0000000000000000, 0.0008584700000000, 0.0013518600000000 ] - [ 0.0000266000000000, 0.0009724500000000, 0.0014311600000000 ] - [ -0.0000560200000000, 0.0009715000000000, 0.0012003200000000 ] - [ 0.0000000000000000, 0.0008577300000000, 0.0012937800000000 ] - [ 0.0000560200000000, 0.0009715000000000, 0.0012003200000000 ] - [ -0.0000090800000000, 0.0008495800000000, -0.0012652700000000 ] - [ 0.0000000000000000, 0.0008373500000000, -0.0012953100000000 ] - [ 0.0000090800000000, 0.0008495800000000, -0.0012652700000000 ] - [ -0.0000313800000000, 0.0012498100000000, -0.0015233500000000 ] - [ 0.0000000000000000, 0.0008951900000000, -0.0013537700000000 ] - [ 0.0000313800000000, 0.0012498100000000, -0.0015233500000000 ] - [ -0.0000520300000000, 0.0007331300000000, -0.0000784800000000 ] - [ 0.0000000000000000, 0.0007615700000000, -0.0000641300000000 ] - [ 0.0000520300000000, 0.0007331300000000, -0.0000784800000000 ] - [ -0.0001575000000000, 0.0000147100000000, 0.0004785000000000 ] - [ 0.0000000000000000, 0.0006381200000000, 0.0001345500000000 ] - [ 0.0001575000000000, 0.0000147100000000, 0.0004785000000000 ] - [ 0.0000000000000000, -0.0019981000000000, -0.0002280500000000 ] - [ -0.0000451400000000, -0.0012993800000000, -0.0013751500000000 ] - [ 0.0000451400000000, -0.0012993800000000, -0.0013751500000000 ] - [ 0.0000000000000000, -0.0009528600000000, -0.0012881100000000 ] - [ 0.0000022800000000, -0.0009041200000000, -0.0012516700000000 ] - [ -0.0000022800000000, -0.0009041200000000, -0.0012516700000000 ] - [ 0.0022675500000000, 0.0012084500000000, -0.0026142500000000 ] - [ 0.0000000000000000, -0.0012236100000000, 0.0000042000000000 ] - [ -0.0022675500000000, 0.0012084500000000, -0.0026142500000000 ] - [ -0.0000226300000000, -0.0008741600000000, 0.0000190600000000 ] - [ 0.0000000000000000, -0.0008446100000000, 0.0000298800000000 ] - [ 0.0000226300000000, -0.0008741600000000, 0.0000190600000000 ] - [ -0.0000533300000000, -0.0004734000000000, 0.0012691200000000 ] - [ 0.0000000000000000, -0.0005042400000000, 0.0012564200000000 ] - [ 0.0000533300000000, -0.0004734000000000, 0.0012691200000000 ] - [ -0.0000051300000000, -0.0008316700000000, 0.0013253500000000 ] - [ 0.0000000000000000, -0.0008332800000000, 0.0013191800000000 ] - [ 0.0000051300000000, -0.0008316700000000, 0.0013253500000000 ] - [ 0.0000000000000000, 0.0006411700000000, 0.0012004400000000 ] - [ 0.0000770200000000, 0.0006631400000000, 0.0010428700000000 ] - [ -0.0000770200000000, 0.0006631400000000, 0.0010428700000000 ] - [ 0.0000000000000000, 0.0006390100000000, 0.0015458600000000 ] - [ -0.0000953600000000, 0.0006632600000000, 0.0013664600000000 ] - [ 0.0000953600000000, 0.0006632600000000, 0.0013664600000000 ] - [ 0.0000000000000000, 0.0008638600000000, -0.0013447800000000 ] - [ -0.0000235900000000, 0.0008481100000000, -0.0013684400000000 ] - [ 0.0000235900000000, 0.0008481100000000, -0.0013684400000000 ] - [ 0.0000000000000000, 0.0053362900000000, 0.0010471500000000 ] - [ 0.0017235500000000, 0.0022369300000000, -0.0006230200000000 ] - [ -0.0017235500000000, 0.0022369300000000, -0.0006230200000000 ] - [ 0.0000000000000000, 0.0009085200000000, 0.0001008600000000 ] - [ -0.0000295600000000, 0.0008761800000000, 0.0000612800000000 ] - [ 0.0000295600000000, 0.0008761800000000, 0.0000612800000000 ] - [ 0.0000000000000000, 0.0010633800000000, -0.0001430100000000 ] - [ -0.0001152700000000, 0.0010427600000000, -0.0001332700000000 ] - [ 0.0001152700000000, 0.0010427600000000, -0.0001332700000000 ] - [ -0.0000469900000000, -0.0006550800000000, -0.0012743400000000 ] - [ 0.0000000000000000, -0.0006790500000000, -0.0012764800000000 ] - [ 0.0000469900000000, -0.0006550800000000, -0.0012743400000000 ] - [ -0.0000054900000000, -0.0007852500000000, -0.0013273800000000 ] - [ 0.0000000000000000, -0.0008052700000000, -0.0013440100000000 ] - [ 0.0000054900000000, -0.0007852500000000, -0.0013273800000000 ]- atom: 79 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013916400000000, -0.0013926700000000, -0.0015304600000000 ] - [ 0.0000000000000000, -0.0000847500000000, 0.0000114500000000 ] - [ -0.0013916400000000, -0.0013926700000000, -0.0015304600000000 ] - [ -0.0000038600000000, -0.0000718900000000, -0.0000049400000000 ] - [ 0.0000000000000000, -0.0000642600000000, 0.0000024500000000 ] - [ 0.0000038600000000, -0.0000718900000000, -0.0000049400000000 ] - [ 0.0000000000000000, -0.0000157300000000, 0.0000887000000000 ] - [ -0.0000205200000000, -0.0000732100000000, 0.0000175900000000 ] - [ 0.0000205200000000, -0.0000732100000000, 0.0000175900000000 ] - [ 0.0000000000000000, 0.0001412000000000, -0.0002799500000000 ] - [ -0.0001621700000000, -0.0000978200000000, -0.0001147400000000 ] - [ 0.0001621700000000, -0.0000978200000000, -0.0001147400000000 ] - [ 0.0000000000000000, 0.0005175100000000, -0.0001937500000000 ] - [ 0.0000691800000000, 0.0003076700000000, -0.0000569000000000 ] - [ -0.0000691800000000, 0.0003076700000000, -0.0000569000000000 ] - [ 0.0000000000000000, 0.0000684500000000, 0.0000224300000000 ] - [ 0.0000043400000000, 0.0000585800000000, 0.0000044600000000 ] - [ -0.0000043400000000, 0.0000585800000000, 0.0000044600000000 ] - [ -0.0000106600000000, 0.0000876200000000, -0.0000029300000000 ] - [ 0.0000000000000000, 0.0000969000000000, -0.0000056800000000 ] - [ 0.0000106600000000, 0.0000876200000000, -0.0000029300000000 ] - [ 0.0001243100000000, 0.0003445500000000, 0.0002834900000000 ] - [ 0.0000000000000000, 0.0002295300000000, 0.0001648500000000 ] - [ -0.0001243100000000, 0.0003445500000000, 0.0002834900000000 ] - [ 0.0000000000000000, 0.0000089300000000, 0.0000703200000000 ] - [ -0.0000153200000000, 0.0000063100000000, 0.0000458900000000 ] - [ 0.0000153200000000, 0.0000063100000000, 0.0000458900000000 ] - [ 0.0000000000000000, 0.0005924300000000, -0.0000093200000000 ] - [ -0.0002591500000000, 0.0003053700000000, -0.0000186900000000 ] - [ 0.0002591500000000, 0.0003053700000000, -0.0000186900000000 ] - [ 0.0000000000000000, 0.0001739000000000, 0.0002100000000000 ] - [ -0.0000554400000000, 0.0000832300000000, 0.0001106200000000 ] - [ 0.0000554400000000, 0.0000832300000000, 0.0001106200000000 ] - [ 0.0000000000000000, 0.0000957800000000, -0.0001205500000000 ] - [ -0.0000645300000000, 0.0000501000000000, -0.0000954000000000 ] - [ 0.0000645300000000, 0.0000501000000000, -0.0000954000000000 ] - [ -0.0000210200000000, -0.0000125500000000, 0.0000217200000000 ] - [ 0.0000000000000000, -0.0000028500000000, -0.0000284400000000 ] - [ 0.0000210200000000, -0.0000125500000000, 0.0000217200000000 ] - [ -0.0118265200000000, -0.0156343000000000, -0.0034128400000000 ] - [ 0.0000000000000000, -0.0013396400000000, -0.0004421000000000 ] - [ 0.0118265200000000, -0.0156343000000000, -0.0034128400000000 ] - [ -0.0003398300000000, -0.0010302100000000, -0.0012036700000000 ] - [ 0.0000000000000000, -0.0002373600000000, -0.0000348200000000 ] - [ 0.0003398300000000, -0.0010302100000000, -0.0012036700000000 ] - [ 0.0001122600000000, -0.0000986100000000, 0.0000324900000000 ] - [ 0.0000000000000000, 0.0000026100000000, 0.0001338700000000 ] - [ -0.0001122600000000, -0.0000986100000000, 0.0000324900000000 ] - [ -0.0000121900000000, -0.0020937300000000, 0.0001090300000000 ] - [ 0.0000000000000000, -0.0021479100000000, 0.0000254200000000 ] - [ 0.0000121900000000, -0.0020937300000000, 0.0001090300000000 ] - [ 0.0000299900000000, -0.0019853800000000, -0.0002959300000000 ] - [ 0.0000000000000000, -0.0021492500000000, -0.0000313600000000 ] - [ -0.0000299900000000, -0.0019853800000000, -0.0002959300000000 ] - [ 0.0000000000000000, -0.0120519900000000, 0.0180994300000000 ] - [ 0.0004136600000000, 0.0014526900000000, 0.0001347900000000 ] - [ -0.0004136600000000, 0.0014526900000000, 0.0001347900000000 ] - [ 0.0000000000000000, 0.0021184900000000, 0.0000064400000000 ] - [ -0.0000019000000000, 0.0021408800000000, 0.0000163400000000 ] - [ 0.0000019000000000, 0.0021408800000000, 0.0000163400000000 ] - [ 0.0000000000000000, -0.0022291200000000, -0.0000382300000000 ] - [ -0.0000838200000000, -0.0022577400000000, -0.0000979900000000 ] - [ 0.0000838200000000, -0.0022577400000000, -0.0000979900000000 ] - [ 0.0000000000000000, -0.0029563900000000, 0.0007333900000000 ] - [ -0.0001713200000000, -0.0025048200000000, 0.0005601500000000 ] - [ 0.0001713200000000, -0.0025048200000000, 0.0005601500000000 ] - [ -0.0001430900000000, 0.0023260900000000, -0.0000496900000000 ] - [ 0.0000000000000000, 0.0023136300000000, -0.0000294300000000 ] - [ 0.0001430900000000, 0.0023260900000000, -0.0000496900000000 ] - [ -0.0000003800000000, 0.0021509700000000, 0.0000083300000000 ] - [ 0.0000000000000000, 0.0021435400000000, 0.0000061900000000 ] - [ 0.0000003800000000, 0.0021509700000000, 0.0000083300000000 ] - [ 0.0000000000000000, -0.0011962600000000, -0.0000199600000000 ] - [ 0.0001229000000000, -0.0011092200000000, 0.0000035100000000 ] - [ -0.0001229000000000, -0.0011092200000000, 0.0000035100000000 ] - [ 0.0000000000000000, -0.0008616300000000, 0.0000127000000000 ] - [ 0.0000056000000000, -0.0008528100000000, 0.0000149200000000 ] - [ -0.0000056000000000, -0.0008528100000000, 0.0000149200000000 ] - [ 0.0000000000000000, 0.0573365400000000, -0.0065366700000000 ] - [ 0.0002132300000000, 0.0004134700000000, 0.0013698300000000 ] - [ -0.0002132300000000, 0.0004134700000000, 0.0013698300000000 ] - [ 0.0000000000000000, -0.0008267900000000, 0.0012880600000000 ] - [ 0.0000032800000000, -0.0008325900000000, 0.0012827700000000 ] - [ -0.0000032800000000, -0.0008325900000000, 0.0012827700000000 ] - [ 0.0000266400000000, 0.0007368500000000, 0.0011850600000000 ] - [ 0.0000000000000000, 0.0008506700000000, 0.0012639200000000 ] - [ -0.0000266400000000, 0.0007368500000000, 0.0011850600000000 ] - [ 0.0000574900000000, 0.0007378900000000, 0.0014219500000000 ] - [ 0.0000000000000000, 0.0008524200000000, 0.0013259000000000 ] - [ -0.0000574900000000, 0.0007378900000000, 0.0014219500000000 ] - [ 0.0000090900000000, 0.0008601900000000, -0.0013524000000000 ] - [ 0.0000000000000000, 0.0008721000000000, -0.0013207800000000 ] - [ -0.0000090900000000, 0.0008601900000000, -0.0013524000000000 ] - [ 0.0000309400000000, 0.0004590300000000, -0.0010967800000000 ] - [ 0.0000000000000000, 0.0008153000000000, -0.0012656700000000 ] - [ -0.0000309400000000, 0.0004590300000000, -0.0010967800000000 ] - [ 0.0000520600000000, 0.0009523800000000, 0.0000791300000000 ] - [ 0.0000000000000000, 0.0009263700000000, 0.0000624800000000 ] - [ -0.0000520600000000, 0.0009523800000000, 0.0000791300000000 ] - [ 0.0001515900000000, 0.0016669300000000, -0.0004943700000000 ] - [ 0.0000000000000000, 0.0010470600000000, -0.0001370800000000 ] - [ -0.0001515900000000, 0.0016669300000000, -0.0004943700000000 ] - [ 0.0000000000000000, 0.0002907300000000, -0.0023550600000000 ] - [ 0.0000434900000000, -0.0004069500000000, -0.0012415300000000 ] - [ -0.0000434900000000, -0.0004069500000000, -0.0012415300000000 ] - [ 0.0000000000000000, -0.0007566000000000, -0.0013280400000000 ] - [ -0.0000028500000000, -0.0008059600000000, -0.0013657600000000 ] - [ 0.0000028500000000, -0.0008059600000000, -0.0013657600000000 ] - [ -0.0022524500000000, -0.0028895700000000, 0.0026046200000000 ] - [ 0.0000000000000000, -0.0004617800000000, -0.0000036000000000 ] - [ 0.0022524500000000, -0.0028895700000000, 0.0026046200000000 ] - [ 0.0000227800000000, -0.0008124500000000, -0.0000173000000000 ] - [ 0.0000000000000000, -0.0008415900000000, -0.0000273200000000 ] - [ -0.0000227800000000, -0.0008124500000000, -0.0000173000000000 ] - [ 0.0000531500000000, -0.0012379000000000, 0.0013470200000000 ] - [ 0.0000000000000000, -0.0012072700000000, 0.0013603900000000 ] - [ -0.0000531500000000, -0.0012379000000000, 0.0013470200000000 ] - [ 0.0000048200000000, -0.0008770700000000, 0.0012918800000000 ] - [ 0.0000000000000000, -0.0008781000000000, 0.0013026600000000 ] - [ -0.0000048200000000, -0.0008770700000000, 0.0012918800000000 ] - [ 0.0000000000000000, 0.0010683900000000, 0.0014182700000000 ] - [ -0.0000786700000000, 0.0010457100000000, 0.0015738100000000 ] - [ 0.0000786700000000, 0.0010457100000000, 0.0015738100000000 ] - [ 0.0000000000000000, 0.0010700700000000, 0.0010711500000000 ] - [ 0.0000948100000000, 0.0010461300000000, 0.0012502000000000 ] - [ -0.0000948100000000, 0.0010461300000000, 0.0012502000000000 ] - [ 0.0000000000000000, 0.0008465500000000, -0.0012715200000000 ] - [ 0.0000230200000000, 0.0008610600000000, -0.0012463200000000 ] - [ -0.0000230200000000, 0.0008610600000000, -0.0012463200000000 ] - [ 0.0000000000000000, -0.0035590000000000, -0.0036377800000000 ] - [ -0.0017297700000000, -0.0005217300000000, -0.0019989000000000 ] - [ 0.0017297700000000, -0.0005217300000000, -0.0019989000000000 ] - [ 0.0000000000000000, 0.0007771300000000, -0.0001037700000000 ] - [ 0.0000300400000000, 0.0008100900000000, -0.0000642800000000 ] - [ -0.0000300400000000, 0.0008100900000000, -0.0000642800000000 ] - [ 0.0000000000000000, 0.0006194000000000, 0.0001417600000000 ] - [ 0.0001173400000000, 0.0006403900000000, 0.0001329200000000 ] - [ -0.0001173400000000, 0.0006403900000000, 0.0001329200000000 ] - [ 0.0000467500000000, -0.0010553300000000, -0.0013435000000000 ] - [ 0.0000000000000000, -0.0010314900000000, -0.0013414300000000 ] - [ -0.0000467500000000, -0.0010553300000000, -0.0013435000000000 ] - [ 0.0000058500000000, -0.0009244100000000, -0.0012887500000000 ] - [ 0.0000000000000000, -0.0009063400000000, -0.0012768800000000 ] - [ -0.0000058500000000, -0.0009244100000000, -0.0012887500000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0017524500000000, 0.0014933900000000, 0.0022941100000000 ] - [ 0.0000000000000000, -0.0000822600000000, 0.0002113900000000 ] - [ 0.0017524500000000, 0.0014933900000000, 0.0022941100000000 ] - [ -0.0000011600000000, 0.0000402300000000, -0.0001169000000000 ] - [ 0.0000000000000000, 0.0000419200000000, -0.0001088000000000 ] - [ 0.0000011600000000, 0.0000402300000000, -0.0001169000000000 ] - [ 0.0000000000000000, -0.0003010200000000, -0.0003275100000000 ] - [ 0.0000455500000000, -0.0000800500000000, -0.0000874800000000 ] - [ -0.0000455500000000, -0.0000800500000000, -0.0000874800000000 ] - [ 0.0000000000000000, -0.0001174100000000, 0.0007120600000000 ] - [ -0.0001405500000000, 0.0001515500000000, -0.0000023000000000 ] - [ 0.0001405500000000, 0.0001515500000000, -0.0000023000000000 ] - [ 0.0000000000000000, 0.0003492400000000, 0.0003186300000000 ] - [ 0.0001008500000000, 0.0001925200000000, 0.0002452700000000 ] - [ -0.0001008500000000, 0.0001925200000000, 0.0002452700000000 ] - [ 0.0000000000000000, 0.0001169100000000, -0.0001658400000000 ] - [ 0.0000931100000000, -0.0000732800000000, -0.0001662100000000 ] - [ -0.0000931100000000, -0.0000732800000000, -0.0001662100000000 ] - [ -0.0000091000000000, 0.0001381700000000, -0.0000871600000000 ] - [ 0.0000000000000000, 0.0001342100000000, -0.0000835800000000 ] - [ 0.0000091000000000, 0.0001381700000000, -0.0000871600000000 ] - [ 0.0000082700000000, -0.0004660100000000, -0.0000833700000000 ] - [ 0.0000000000000000, -0.0001282100000000, 0.0000032400000000 ] - [ -0.0000082700000000, -0.0004660100000000, -0.0000833700000000 ] - [ 0.0000000000000000, -0.0000002000000000, -0.0002348900000000 ] - [ 0.0000996000000000, 0.0000080400000000, -0.0002275100000000 ] - [ -0.0000996000000000, 0.0000080400000000, -0.0002275100000000 ] - [ 0.0000000000000000, 0.0001943300000000, 0.0004459300000000 ] - [ -0.0001075100000000, 0.0001459400000000, 0.0003794700000000 ] - [ 0.0001075100000000, 0.0001459400000000, 0.0003794700000000 ] - [ 0.0000000000000000, -0.0000320700000000, 0.0000417100000000 ] - [ 0.0000775300000000, 0.0000224600000000, 0.0000560700000000 ] - [ -0.0000775300000000, 0.0000224600000000, 0.0000560700000000 ] - [ 0.0000000000000000, 0.0000938800000000, -0.0001983400000000 ] - [ 0.0000446900000000, 0.0000772900000000, -0.0001722500000000 ] - [ -0.0000446900000000, 0.0000772900000000, -0.0001722500000000 ] - [ 0.0000116100000000, -0.0000255600000000, -0.0008063300000000 ] - [ 0.0000000000000000, -0.0001483200000000, -0.0006263200000000 ] - [ -0.0000116100000000, -0.0000255600000000, -0.0008063300000000 ] - [ 0.0013911200000000, 0.0024061200000000, 0.0030400600000000 ] - [ 0.0000000000000000, 0.0004165500000000, 0.0008271700000000 ] - [ -0.0013911200000000, 0.0024061200000000, 0.0030400600000000 ] - [ 0.0018726800000000, 0.0007715400000000, -0.0015306700000000 ] - [ 0.0000000000000000, -0.0000254700000000, 0.0002108000000000 ] - [ -0.0018726800000000, 0.0007715400000000, -0.0015306700000000 ] - [ 0.0001623300000000, -0.0000704500000000, -0.0011561700000000 ] - [ 0.0000000000000000, 0.0003042300000000, -0.0003840600000000 ] - [ -0.0001623300000000, -0.0000704500000000, -0.0011561700000000 ] - [ 0.0000073800000000, -0.0021416700000000, -0.0001153300000000 ] - [ 0.0000000000000000, -0.0020851900000000, -0.0000484400000000 ] - [ -0.0000073800000000, -0.0021416700000000, -0.0001153300000000 ] - [ -0.0000136400000000, -0.0021257700000000, -0.0000319000000000 ] - [ 0.0000000000000000, -0.0021706700000000, 0.0000171100000000 ] - [ 0.0000136400000000, -0.0021257700000000, -0.0000319000000000 ] - [ 0.0000000000000000, -0.0126537900000000, 0.0252637500000000 ] - [ 0.0006525500000000, 0.0016319900000000, 0.0004619600000000 ] - [ -0.0006525500000000, 0.0016319900000000, 0.0004619600000000 ] - [ 0.0000000000000000, 0.0021352900000000, -0.0002872300000000 ] - [ 0.0000587500000000, 0.0021141800000000, -0.0002467700000000 ] - [ -0.0000587500000000, 0.0021141800000000, -0.0002467700000000 ] - [ 0.0000000000000000, -0.0020723100000000, -0.0003013100000000 ] - [ 0.0000861500000000, -0.0021036600000000, -0.0001505100000000 ] - [ -0.0000861500000000, -0.0021036600000000, -0.0001505100000000 ] - [ 0.0000000000000000, -0.0025257100000000, -0.0003500200000000 ] - [ -0.0005541100000000, -0.0026026500000000, 0.0003186900000000 ] - [ 0.0005541100000000, -0.0026026500000000, 0.0003186900000000 ] - [ 0.0000602100000000, 0.0021379900000000, 0.0001969800000000 ] - [ 0.0000000000000000, 0.0021406200000000, 0.0001413600000000 ] - [ -0.0000602100000000, 0.0021379900000000, 0.0001969800000000 ] - [ -0.0000077200000000, 0.0021558800000000, -0.0001444600000000 ] - [ 0.0000000000000000, 0.0021373600000000, -0.0001255900000000 ] - [ 0.0000077200000000, 0.0021558800000000, -0.0001444600000000 ] - [ 0.0000000000000000, -0.0007721800000000, -0.0002156800000000 ] - [ -0.0001199200000000, -0.0007838300000000, -0.0002049800000000 ] - [ 0.0001199200000000, -0.0007838300000000, -0.0002049800000000 ] - [ 0.0000000000000000, -0.0008751900000000, 0.0001714900000000 ] - [ -0.0000202300000000, -0.0008462300000000, 0.0001720200000000 ] - [ 0.0000202300000000, -0.0008462300000000, 0.0001720200000000 ] - [ 0.0000000000000000, 0.0068463000000000, -0.0456775700000000 ] - [ 0.0001489500000000, -0.0008704600000000, 0.0003536600000000 ] - [ -0.0001489500000000, -0.0008704600000000, 0.0003536600000000 ] - [ 0.0000000000000000, -0.0008455000000000, 0.0016270400000000 ] - [ -0.0000306200000000, -0.0008484300000000, 0.0016323100000000 ] - [ 0.0000306200000000, -0.0008484300000000, 0.0016323100000000 ] - [ -0.0000329300000000, 0.0009788600000000, 0.0013434200000000 ] - [ 0.0000000000000000, 0.0008529000000000, 0.0012461600000000 ] - [ 0.0000329300000000, 0.0009788600000000, 0.0013434200000000 ] - [ 0.0000308200000000, 0.0007721800000000, 0.0013376900000000 ] - [ 0.0000000000000000, 0.0008571200000000, 0.0012917700000000 ] - [ -0.0000308200000000, 0.0007721800000000, 0.0013376900000000 ] - [ -0.0000313200000000, 0.0009410100000000, -0.0011494300000000 ] - [ 0.0000000000000000, 0.0009095400000000, -0.0011521500000000 ] - [ 0.0000313200000000, 0.0009410100000000, -0.0011494300000000 ] - [ 0.0000461100000000, 0.0006482600000000, -0.0013855500000000 ] - [ 0.0000000000000000, 0.0007937100000000, -0.0013529500000000 ] - [ -0.0000461100000000, 0.0006482600000000, -0.0013855500000000 ] - [ -0.0002661100000000, 0.0006827300000000, 0.0006842400000000 ] - [ 0.0000000000000000, 0.0009226100000000, 0.0002704300000000 ] - [ 0.0002661100000000, 0.0006827300000000, 0.0006842400000000 ] - [ 0.0013196700000000, 0.0019514300000000, 0.0020270800000000 ] - [ 0.0000000000000000, 0.0008245300000000, -0.0000979700000000 ] - [ -0.0013196700000000, 0.0019514300000000, 0.0020270800000000 ] - [ 0.0000000000000000, -0.0018687000000000, 0.0043983600000000 ] - [ -0.0003438100000000, -0.0007335500000000, -0.0014826500000000 ] - [ 0.0003438100000000, -0.0007335500000000, -0.0014826500000000 ] - [ 0.0000000000000000, -0.0008974200000000, -0.0009151200000000 ] - [ 0.0000668400000000, -0.0009443100000000, -0.0009303300000000 ] - [ -0.0000668400000000, -0.0009443100000000, -0.0009303300000000 ] - [ -0.0022298900000000, -0.0034952400000000, 0.0009346600000000 ] - [ 0.0000000000000000, -0.0006136400000000, -0.0005829500000000 ] - [ 0.0022298900000000, -0.0034952400000000, 0.0009346600000000 ] - [ -0.0000775000000000, -0.0006904400000000, 0.0006311600000000 ] - [ 0.0000000000000000, -0.0008288000000000, 0.0004097600000000 ] - [ 0.0000775000000000, -0.0006904400000000, 0.0006311600000000 ] - [ -0.0000049200000000, -0.0009701100000000, 0.0009958900000000 ] - [ 0.0000000000000000, -0.0009788600000000, 0.0010297400000000 ] - [ 0.0000049200000000, -0.0009701100000000, 0.0009958900000000 ] - [ -0.0001196600000000, -0.0010014300000000, 0.0013553600000000 ] - [ 0.0000000000000000, -0.0008389900000000, 0.0014134900000000 ] - [ 0.0001196600000000, -0.0010014300000000, 0.0013553600000000 ] - [ 0.0000000000000000, 0.0006817100000000, 0.0015393500000000 ] - [ -0.0003653900000000, 0.0007862900000000, 0.0017195600000000 ] - [ 0.0003653900000000, 0.0007862900000000, 0.0017195600000000 ] - [ 0.0000000000000000, 0.0009824800000000, 0.0016704500000000 ] - [ 0.0002892600000000, 0.0010875000000000, 0.0017541300000000 ] - [ -0.0002892600000000, 0.0010875000000000, 0.0017541300000000 ] - [ 0.0000000000000000, 0.0009452000000000, -0.0009747700000000 ] - [ -0.0001359400000000, 0.0007934900000000, -0.0009237400000000 ] - [ 0.0001359400000000, 0.0007934900000000, -0.0009237400000000 ] - [ 0.0000000000000000, 0.0031491200000000, -0.0011466300000000 ] - [ 0.0008416800000000, 0.0014878600000000, -0.0010933000000000 ] - [ -0.0008416800000000, 0.0014878600000000, -0.0010933000000000 ] - [ 0.0000000000000000, 0.0008140100000000, 0.0001120300000000 ] - [ -0.0000479400000000, 0.0008478800000000, 0.0001181100000000 ] - [ 0.0000479400000000, 0.0008478800000000, 0.0001181100000000 ] - [ 0.0000000000000000, 0.0009223700000000, -0.0000403100000000 ] - [ 0.0000499000000000, 0.0009022600000000, -0.0000577800000000 ] - [ -0.0000499000000000, 0.0009022600000000, -0.0000577800000000 ] - [ -0.0000328000000000, -0.0009621400000000, -0.0013520000000000 ] - [ 0.0000000000000000, -0.0009370400000000, -0.0013257900000000 ] - [ 0.0000328000000000, -0.0009621400000000, -0.0013520000000000 ] - [ -0.0001104000000000, -0.0009952600000000, -0.0010922600000000 ] - [ 0.0000000000000000, -0.0008402400000000, -0.0011585200000000 ] - [ 0.0001104000000000, -0.0009952600000000, -0.0010922600000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0017860700000000, -0.0015631400000000, -0.0023236600000000 ] - [ 0.0000000000000000, 0.0000151600000000, -0.0001969200000000 ] - [ -0.0017860700000000, -0.0015631400000000, -0.0023236600000000 ] - [ 0.0000031000000000, -0.0000496400000000, 0.0001206700000000 ] - [ 0.0000000000000000, -0.0000508000000000, 0.0001037500000000 ] - [ -0.0000031000000000, -0.0000496400000000, 0.0001206700000000 ] - [ 0.0000000000000000, 0.0003287500000000, 0.0003360600000000 ] - [ -0.0000414700000000, 0.0000998400000000, 0.0000989600000000 ] - [ 0.0000414700000000, 0.0000998400000000, 0.0000989600000000 ] - [ 0.0000000000000000, 0.0000974600000000, -0.0006766400000000 ] - [ 0.0001497300000000, -0.0001292700000000, -0.0000060000000000 ] - [ -0.0001497300000000, -0.0001292700000000, -0.0000060000000000 ] - [ 0.0000000000000000, -0.0003164900000000, -0.0003168600000000 ] - [ -0.0000958400000000, -0.0001908300000000, -0.0002458800000000 ] - [ 0.0000958400000000, -0.0001908300000000, -0.0002458800000000 ] - [ 0.0000000000000000, 0.0000399900000000, 0.0001513600000000 ] - [ 0.0000211900000000, 0.0000106900000000, 0.0001699800000000 ] - [ -0.0000211900000000, 0.0000106900000000, 0.0001699800000000 ] - [ -0.0000011400000000, -0.0001157900000000, 0.0000955500000000 ] - [ 0.0000000000000000, -0.0001161400000000, 0.0000769700000000 ] - [ 0.0000011400000000, -0.0001157900000000, 0.0000955500000000 ] - [ 0.0000520400000000, 0.0002348300000000, 0.0000722400000000 ] - [ 0.0000000000000000, 0.0000545100000000, -0.0000003600000000 ] - [ -0.0000520400000000, 0.0002348300000000, 0.0000722400000000 ] - [ 0.0000000000000000, 0.0000533400000000, 0.0002653300000000 ] - [ -0.0000126600000000, 0.0000393900000000, 0.0002487100000000 ] - [ 0.0000126600000000, 0.0000393900000000, 0.0002487100000000 ] - [ 0.0000000000000000, -0.0001523100000000, -0.0004248700000000 ] - [ 0.0001234300000000, -0.0000769600000000, -0.0004071600000000 ] - [ -0.0001234300000000, -0.0000769600000000, -0.0004071600000000 ] - [ 0.0000000000000000, 0.0000682300000000, -0.0000555600000000 ] - [ -0.0000511800000000, 0.0000169100000000, -0.0000467300000000 ] - [ 0.0000511800000000, 0.0000169100000000, -0.0000467300000000 ] - [ 0.0000000000000000, -0.0000373800000000, 0.0001610300000000 ] - [ 0.0000302900000000, 0.0000018400000000, 0.0001738400000000 ] - [ -0.0000302900000000, 0.0000018400000000, 0.0001738400000000 ] - [ 0.0000300300000000, 0.0000297500000000, 0.0008175900000000 ] - [ 0.0000000000000000, 0.0001562100000000, 0.0006111700000000 ] - [ -0.0000300300000000, 0.0000297500000000, 0.0008175900000000 ] - [ -0.0014118700000000, -0.0024755400000000, -0.0031015500000000 ] - [ 0.0000000000000000, -0.0004341200000000, -0.0008427700000000 ] - [ 0.0014118700000000, -0.0024755400000000, -0.0031015500000000 ] - [ -0.0018150400000000, -0.0007876600000000, 0.0015407500000000 ] - [ 0.0000000000000000, 0.0000174700000000, -0.0002015300000000 ] - [ 0.0018150400000000, -0.0007876600000000, 0.0015407500000000 ] - [ -0.0001736900000000, 0.0000451700000000, 0.0011505000000000 ] - [ 0.0000000000000000, -0.0003000900000000, 0.0003996500000000 ] - [ 0.0001736900000000, 0.0000451700000000, 0.0011505000000000 ] - [ -0.0000011900000000, -0.0021236600000000, 0.0001270900000000 ] - [ 0.0000000000000000, -0.0021639700000000, 0.0000735400000000 ] - [ 0.0000011900000000, -0.0021236600000000, 0.0001270900000000 ] - [ -0.0000261400000000, -0.0021327400000000, 0.0000194100000000 ] - [ 0.0000000000000000, -0.0020733300000000, -0.0000450000000000 ] - [ 0.0000261400000000, -0.0021327400000000, 0.0000194100000000 ] - [ 0.0000000000000000, 0.0177269700000000, -0.0262500000000000 ] - [ -0.0006314900000000, 0.0026507800000000, -0.0004501000000000 ] - [ 0.0006314900000000, 0.0026507800000000, -0.0004501000000000 ] - [ 0.0000000000000000, 0.0021491700000000, 0.0002704900000000 ] - [ 0.0000038000000000, 0.0021565100000000, 0.0002399400000000 ] - [ -0.0000038000000000, 0.0021565100000000, 0.0002399400000000 ] - [ 0.0000000000000000, -0.0022743300000000, 0.0003274000000000 ] - [ -0.0000830800000000, -0.0021890000000000, 0.0001435200000000 ] - [ 0.0000830800000000, -0.0021890000000000, 0.0001435200000000 ] - [ 0.0000000000000000, -0.0017989400000000, 0.0003273500000000 ] - [ 0.0005546500000000, -0.0016893800000000, -0.0003070600000000 ] - [ -0.0005546500000000, -0.0016893800000000, -0.0003070600000000 ] - [ -0.0000333000000000, 0.0021939800000000, -0.0001948000000000 ] - [ 0.0000000000000000, 0.0021920900000000, -0.0001725700000000 ] - [ 0.0000333000000000, 0.0021939800000000, -0.0001948000000000 ] - [ 0.0000013200000000, 0.0021499300000000, 0.0001391200000000 ] - [ 0.0000000000000000, 0.0021559700000000, 0.0001630500000000 ] - [ -0.0000013200000000, 0.0021499300000000, 0.0001391200000000 ] - [ 0.0000000000000000, -0.0009563300000000, 0.0002217600000000 ] - [ 0.0000700400000000, -0.0009621800000000, 0.0002109400000000 ] - [ -0.0000700400000000, -0.0009621800000000, 0.0002109400000000 ] - [ 0.0000000000000000, -0.0008400400000000, -0.0001739500000000 ] - [ 0.0000184600000000, -0.0008415000000000, -0.0001732600000000 ] - [ -0.0000184600000000, -0.0008415000000000, -0.0001732600000000 ] - [ 0.0000000000000000, -0.0091760100000000, 0.0493919000000000 ] - [ -0.0001910900000000, -0.0007981600000000, 0.0022673000000000 ] - [ 0.0001910900000000, -0.0007981600000000, 0.0022673000000000 ] - [ 0.0000000000000000, -0.0008789400000000, 0.0009783100000000 ] - [ 0.0000300300000000, -0.0008960200000000, 0.0009626300000000 ] - [ -0.0000300300000000, -0.0008960200000000, 0.0009626300000000 ] - [ 0.0000227500000000, 0.0007515600000000, 0.0012314200000000 ] - [ 0.0000000000000000, 0.0008461200000000, 0.0012749400000000 ] - [ -0.0000227500000000, 0.0007515600000000, 0.0012314200000000 ] - [ -0.0000372100000000, 0.0009633300000000, 0.0012097800000000 ] - [ 0.0000000000000000, 0.0008921700000000, 0.0012628800000000 ] - [ 0.0000372100000000, 0.0009633300000000, 0.0012097800000000 ] - [ 0.0000171700000000, 0.0008113500000000, -0.0014305800000000 ] - [ 0.0000000000000000, 0.0008437500000000, -0.0014119200000000 ] - [ -0.0000171700000000, 0.0008113500000000, -0.0014305800000000 ] - [ -0.0000489400000000, 0.0010602600000000, -0.0011561500000000 ] - [ 0.0000000000000000, 0.0008959800000000, -0.0011594700000000 ] - [ 0.0000489400000000, 0.0010602600000000, -0.0011561500000000 ] - [ 0.0002514400000000, 0.0010349400000000, -0.0006676100000000 ] - [ 0.0000000000000000, 0.0007818500000000, -0.0002777400000000 ] - [ -0.0002514400000000, 0.0010349400000000, -0.0006676100000000 ] - [ -0.0012934900000000, -0.0002397000000000, -0.0020209400000000 ] - [ 0.0000000000000000, 0.0008712200000000, 0.0001017300000000 ] - [ 0.0012934900000000, -0.0002397000000000, -0.0020209400000000 ] - [ 0.0000000000000000, 0.0002053400000000, -0.0070917200000000 ] - [ 0.0003041700000000, -0.0009246400000000, -0.0011571000000000 ] - [ -0.0003041700000000, -0.0009246400000000, -0.0011571000000000 ] - [ 0.0000000000000000, -0.0008430800000000, -0.0016605700000000 ] - [ -0.0000625800000000, -0.0008166300000000, -0.0016488200000000 ] - [ 0.0000625800000000, -0.0008166300000000, -0.0016488200000000 ] - [ 0.0022239500000000, 0.0018658600000000, -0.0009631900000000 ] - [ 0.0000000000000000, -0.0010394400000000, 0.0005697600000000 ] - [ -0.0022239500000000, 0.0018658600000000, -0.0009631900000000 ] - [ -0.0000105600000000, -0.0008599000000000, -0.0005997500000000 ] - [ 0.0000000000000000, -0.0008140400000000, -0.0003919600000000 ] - [ 0.0000105600000000, -0.0008599000000000, -0.0005997500000000 ] - [ -0.0000174300000000, -0.0008319100000000, 0.0015874600000000 ] - [ 0.0000000000000000, -0.0008573700000000, 0.0016248700000000 ] - [ 0.0000174300000000, -0.0008319100000000, 0.0015874600000000 ] - [ -0.0000044700000000, -0.0009007600000000, 0.0011528100000000 ] - [ 0.0000000000000000, -0.0008626900000000, 0.0011359400000000 ] - [ 0.0000044700000000, -0.0009007600000000, 0.0011528100000000 ] - [ 0.0000000000000000, 0.0011241400000000, 0.0010250800000000 ] - [ 0.0002842600000000, 0.0009299900000000, 0.0008881100000000 ] - [ -0.0002842600000000, 0.0009299900000000, 0.0008881100000000 ] - [ 0.0000000000000000, 0.0008151600000000, 0.0010216300000000 ] - [ -0.0002525700000000, 0.0006833200000000, 0.0008647200000000 ] - [ 0.0002525700000000, 0.0006833200000000, 0.0008647200000000 ] - [ 0.0000000000000000, 0.0009201500000000, -0.0016394900000000 ] - [ 0.0000694900000000, 0.0009322200000000, -0.0016865800000000 ] - [ -0.0000694900000000, 0.0009322200000000, -0.0016865800000000 ] - [ 0.0000000000000000, -0.0014199700000000, -0.0015123200000000 ] - [ -0.0008325100000000, 0.0002524200000000, -0.0015233100000000 ] - [ 0.0008325100000000, 0.0002524200000000, -0.0015233100000000 ] - [ 0.0000000000000000, 0.0008174700000000, -0.0001182300000000 ] - [ 0.0000133400000000, 0.0008375800000000, -0.0001081000000000 ] - [ -0.0000133400000000, 0.0008375800000000, -0.0001081000000000 ] - [ 0.0000000000000000, 0.0007839800000000, 0.0000416700000000 ] - [ -0.0000194500000000, 0.0007415300000000, 0.0000446300000000 ] - [ 0.0000194500000000, 0.0007415300000000, 0.0000446300000000 ] - [ 0.0000124800000000, -0.0008278000000000, -0.0012296300000000 ] - [ 0.0000000000000000, -0.0008202800000000, -0.0012444900000000 ] - [ -0.0000124800000000, -0.0008278000000000, -0.0012296300000000 ] - [ -0.0000081300000000, -0.0009116300000000, -0.0014174800000000 ] - [ 0.0000000000000000, -0.0009456900000000, -0.0014771100000000 ] - [ 0.0000081300000000, -0.0009116300000000, -0.0014174800000000 ]