# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6501708c-71e7-424a-965f-d78469986e40/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 Er3B5O12 / Pmna (53) / materials id 560278](https://mdr.nims.go.jp/datasets/146d580f-2879-4ae9-aab7-8f6be3812608) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pmna" number: 53 Hall_symbol: "-P 2ac 2"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 12.775679480000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.585065840000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.433263640000000 ] # c points: - symbol: Er # 1 coordinates: [ 0.635418710000000, 0.998662290000000, 0.693706600000000 ] mass: 167.259000 - symbol: Er # 2 coordinates: [ 0.364581290000000, 0.001337710000000, 0.306293400000000 ] mass: 167.259000 - symbol: Er # 3 coordinates: [ 0.864581290000000, 0.001337710000000, 0.193706600000000 ] mass: 167.259000 - symbol: Er # 4 coordinates: [ 0.864581290000000, 0.998662290000000, 0.806293400000000 ] mass: 167.259000 - symbol: Er # 5 coordinates: [ 0.132195670000000, 0.000000000000000, 0.500000000000000 ] mass: 167.259000 - symbol: Er # 6 coordinates: [ 0.135418710000000, 0.001337710000000, 0.193706600000000 ] mass: 167.259000 - symbol: Er # 7 coordinates: [ 0.867804330000000, 0.000000000000000, 0.500000000000000 ] mass: 167.259000 - symbol: Er # 8 coordinates: [ 0.635418710000000, 0.001337710000000, 0.306293400000000 ] mass: 167.259000 - symbol: Er # 9 coordinates: [ 0.632195670000000, 0.000000000000000, 0.000000000000000 ] mass: 167.259000 - symbol: Er # 10 coordinates: [ 0.364581290000000, 0.998662290000000, 0.693706600000000 ] mass: 167.259000 - symbol: Er # 11 coordinates: [ 0.135418710000000, 0.998662290000000, 0.806293400000000 ] mass: 167.259000 - symbol: Er # 12 coordinates: [ 0.367804330000000, 0.000000000000000, 0.000000000000000 ] mass: 167.259000 - symbol: B # 13 coordinates: [ 0.338305640000000, 0.500000000000000, 0.500000000000000 ] mass: 10.811000 - symbol: B # 14 coordinates: [ 0.838305640000000, 0.500000000000000, 0.000000000000000 ] mass: 10.811000 - symbol: B # 15 coordinates: [ 0.500000000000000, 0.536942470000000, 0.849898530000000 ] mass: 10.811000 - symbol: B # 16 coordinates: [ 0.702001690000000, 0.531724000000000, 0.150873310000000 ] mass: 10.811000 - symbol: B # 17 coordinates: [ 0.000000000000000, 0.536942470000000, 0.650101470000000 ] mass: 10.811000 - symbol: B # 18 coordinates: [ 0.202001690000000, 0.468276000000000, 0.650873310000000 ] mass: 10.811000 - symbol: B # 19 coordinates: [ 0.797998310000000, 0.531724000000000, 0.349126690000000 ] mass: 10.811000 - symbol: B # 20 coordinates: [ 0.500000000000000, 0.456628080000000, 0.373739330000000 ] mass: 10.811000 - symbol: B # 21 coordinates: [ 0.161694360000000, 0.500000000000000, 0.000000000000000 ] mass: 10.811000 - symbol: B # 22 coordinates: [ 0.702001690000000, 0.468276000000000, 0.849126690000000 ] mass: 10.811000 - symbol: B # 23 coordinates: [ 0.000000000000000, 0.456628080000000, 0.126260670000000 ] mass: 10.811000 - symbol: B # 24 coordinates: [ 0.000000000000000, 0.463057530000000, 0.349898530000000 ] mass: 10.811000 - symbol: B # 25 coordinates: [ 0.297998310000000, 0.468276000000000, 0.849126690000000 ] mass: 10.811000 - symbol: B # 26 coordinates: [ 0.500000000000000, 0.463057530000000, 0.150101470000000 ] mass: 10.811000 - symbol: B # 27 coordinates: [ 0.797998310000000, 0.468276000000000, 0.650873310000000 ] mass: 10.811000 - symbol: B # 28 coordinates: [ 0.500000000000000, 0.543371920000000, 0.626260670000000 ] mass: 10.811000 - symbol: B # 29 coordinates: [ 0.000000000000000, 0.543371920000000, 0.873739330000000 ] mass: 10.811000 - symbol: B # 30 coordinates: [ 0.297998310000000, 0.531724000000000, 0.150873310000000 ] mass: 10.811000 - symbol: B # 31 coordinates: [ 0.661694360000000, 0.500000000000000, 0.500000000000000 ] mass: 10.811000 - symbol: B # 32 coordinates: [ 0.202001690000000, 0.531724000000000, 0.349126690000000 ] mass: 10.811000 - symbol: O # 33 coordinates: [ 0.733336600000000, 0.308871180000000, 0.564495880000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.405062550000000, 0.660807850000000, 0.145407440000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.403986490000000, 0.665247740000000, 0.574250320000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.766663400000000, 0.308871180000000, 0.935504120000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.250000000000000, 0.658255290000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.903986490000000, 0.665247740000000, 0.925749680000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.266663400000000, 0.691128820000000, 0.435504120000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.000000000000000, 0.241695430000000, 0.429755840000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.596013510000000, 0.334752260000000, 0.425749680000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.704125180000000, 0.779718960000000, 0.848406930000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.750000000000000, 0.341744710000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.266663400000000, 0.308871180000000, 0.564495880000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.766663400000000, 0.691128820000000, 0.064495880000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.295874820000000, 0.220281040000000, 0.151593070000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.500000000000000, 0.241695430000000, 0.070244160000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.000000000000000, 0.695396930000000, 0.761639490000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.500000000000000, 0.760525040000000, 0.360570380000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.233336600000000, 0.691128820000000, 0.064495880000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.094937450000000, 0.660807850000000, 0.354592560000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.594937450000000, 0.339192150000000, 0.854592560000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.250000000000000, 0.341744710000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.750000000000000, 0.658255290000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.405062550000000, 0.339192150000000, 0.854592560000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.096013510000000, 0.665247740000000, 0.925749680000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.903986490000000, 0.334752260000000, 0.074250320000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.795874820000000, 0.779718960000000, 0.651593070000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.000000000000000, 0.758304570000000, 0.570244160000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.795874820000000, 0.220281040000000, 0.348406930000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.500000000000000, 0.695396930000000, 0.738360510000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.295874820000000, 0.779718960000000, 0.848406930000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.233336600000000, 0.308871180000000, 0.935504120000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.594937450000000, 0.660807850000000, 0.145407440000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.500000000000000, 0.304603070000000, 0.261639490000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.596013510000000, 0.665247740000000, 0.574250320000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.000000000000000, 0.239474960000000, 0.860570380000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.204125180000000, 0.220281040000000, 0.348406930000000 ] mass: 15.999400 - symbol: O # 69 coordinates: [ 0.204125180000000, 0.779718960000000, 0.651593070000000 ] mass: 15.999400 - symbol: O # 70 coordinates: [ 0.905062550000000, 0.660807850000000, 0.354592560000000 ] mass: 15.999400 - symbol: O # 71 coordinates: [ 0.403986490000000, 0.334752260000000, 0.425749680000000 ] mass: 15.999400 - symbol: O # 72 coordinates: [ 0.704125180000000, 0.220281040000000, 0.151593070000000 ] mass: 15.999400 - symbol: O # 73 coordinates: [ 0.096013510000000, 0.334752260000000, 0.074250320000000 ] mass: 15.999400 - symbol: O # 74 coordinates: [ 0.733336600000000, 0.691128820000000, 0.435504120000000 ] mass: 15.999400 - symbol: O # 75 coordinates: [ 0.905062550000000, 0.339192150000000, 0.645407440000000 ] mass: 15.999400 - symbol: O # 76 coordinates: [ 0.000000000000000, 0.760525040000000, 0.139429620000000 ] mass: 15.999400 - symbol: O # 77 coordinates: [ 0.500000000000000, 0.758304570000000, 0.929755840000000 ] mass: 15.999400 - symbol: O # 78 coordinates: [ 0.094937450000000, 0.339192150000000, 0.645407440000000 ] mass: 15.999400 - symbol: O # 79 coordinates: [ 0.500000000000000, 0.239474960000000, 0.639429620000000 ] mass: 15.999400 - symbol: O # 80 coordinates: [ 0.000000000000000, 0.304603070000000, 0.238360510000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.078273723254053, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.218099376300341, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.080429405259519 ] # c*unit_cell: lattice: - [ 12.775679480000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.585065840000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.433263640000000 ] # c points: - symbol: Er # 1 coordinates: [ 0.635418710000000, 0.998662290000000, 0.693706600000000 ] mass: 167.259000 reduced_to: 1 - symbol: Er # 2 coordinates: [ 0.364581290000000, 0.001337710000000, 0.306293400000000 ] mass: 167.259000 reduced_to: 2 - symbol: Er # 3 coordinates: [ 0.864581290000000, 0.001337710000000, 0.193706600000000 ] mass: 167.259000 reduced_to: 3 - symbol: Er # 4 coordinates: [ 0.864581290000000, 0.998662290000000, 0.806293400000000 ] mass: 167.259000 reduced_to: 4 - symbol: Er # 5 coordinates: [ 0.132195670000000, 0.000000000000000, 0.500000000000000 ] mass: 167.259000 reduced_to: 5 - symbol: Er # 6 coordinates: [ 0.135418710000000, 0.001337710000000, 0.193706600000000 ] mass: 167.259000 reduced_to: 6 - symbol: Er # 7 coordinates: [ 0.867804330000000, 0.000000000000000, 0.500000000000000 ] mass: 167.259000 reduced_to: 7 - symbol: Er # 8 coordinates: [ 0.635418710000000, 0.001337710000000, 0.306293400000000 ] mass: 167.259000 reduced_to: 8 - symbol: Er # 9 coordinates: [ 0.632195670000000, 0.000000000000000, 0.000000000000000 ] mass: 167.259000 reduced_to: 9 - symbol: Er # 10 coordinates: [ 0.364581290000000, 0.998662290000000, 0.693706600000000 ] mass: 167.259000 reduced_to: 10 - symbol: Er # 11 coordinates: [ 0.135418710000000, 0.998662290000000, 0.806293400000000 ] mass: 167.259000 reduced_to: 11 - symbol: Er # 12 coordinates: [ 0.367804330000000, 0.000000000000000, 0.000000000000000 ] mass: 167.259000 reduced_to: 12 - symbol: B # 13 coordinates: [ 0.338305640000000, 0.500000000000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.838305640000000, 0.500000000000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 14 - symbol: B # 15 coordinates: [ 0.500000000000000, 0.536942470000000, 0.849898530000000 ] mass: 10.811000 reduced_to: 15 - symbol: B # 16 coordinates: [ 0.702001690000000, 0.531724000000000, 0.150873310000000 ] mass: 10.811000 reduced_to: 16 - symbol: B # 17 coordinates: [ 0.000000000000000, 0.536942470000000, 0.650101470000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 18 coordinates: [ 0.202001690000000, 0.468276000000000, 0.650873310000000 ] mass: 10.811000 reduced_to: 18 - symbol: B # 19 coordinates: [ 0.797998310000000, 0.531724000000000, 0.349126690000000 ] mass: 10.811000 reduced_to: 19 - symbol: B # 20 coordinates: [ 0.500000000000000, 0.456628080000000, 0.373739330000000 ] mass: 10.811000 reduced_to: 20 - symbol: B # 21 coordinates: [ 0.161694360000000, 0.500000000000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 22 coordinates: [ 0.702001690000000, 0.468276000000000, 0.849126690000000 ] mass: 10.811000 reduced_to: 22 - symbol: B # 23 coordinates: [ 0.000000000000000, 0.456628080000000, 0.126260670000000 ] mass: 10.811000 reduced_to: 23 - symbol: B # 24 coordinates: [ 0.000000000000000, 0.463057530000000, 0.349898530000000 ] mass: 10.811000 reduced_to: 24 - symbol: B # 25 coordinates: [ 0.297998310000000, 0.468276000000000, 0.849126690000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 26 coordinates: [ 0.500000000000000, 0.463057530000000, 0.150101470000000 ] mass: 10.811000 reduced_to: 26 - symbol: B # 27 coordinates: [ 0.797998310000000, 0.468276000000000, 0.650873310000000 ] mass: 10.811000 reduced_to: 27 - symbol: B # 28 coordinates: [ 0.500000000000000, 0.543371920000000, 0.626260670000000 ] mass: 10.811000 reduced_to: 28 - symbol: B # 29 coordinates: [ 0.000000000000000, 0.543371920000000, 0.873739330000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 30 coordinates: [ 0.297998310000000, 0.531724000000000, 0.150873310000000 ] mass: 10.811000 reduced_to: 30 - symbol: B # 31 coordinates: [ 0.661694360000000, 0.500000000000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 31 - symbol: B # 32 coordinates: [ 0.202001690000000, 0.531724000000000, 0.349126690000000 ] mass: 10.811000 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.733336600000000, 0.308871180000000, 0.564495880000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.405062550000000, 0.660807850000000, 0.145407440000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.403986490000000, 0.665247740000000, 0.574250320000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.766663400000000, 0.308871180000000, 0.935504120000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.250000000000000, 0.658255290000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.903986490000000, 0.665247740000000, 0.925749680000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.266663400000000, 0.691128820000000, 0.435504120000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.000000000000000, 0.241695430000000, 0.429755840000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.596013510000000, 0.334752260000000, 0.425749680000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.704125180000000, 0.779718960000000, 0.848406930000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.750000000000000, 0.341744710000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.266663400000000, 0.308871180000000, 0.564495880000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.766663400000000, 0.691128820000000, 0.064495880000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.295874820000000, 0.220281040000000, 0.151593070000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.500000000000000, 0.241695430000000, 0.070244160000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.000000000000000, 0.695396930000000, 0.761639490000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.500000000000000, 0.760525040000000, 0.360570380000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.233336600000000, 0.691128820000000, 0.064495880000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.094937450000000, 0.660807850000000, 0.354592560000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.594937450000000, 0.339192150000000, 0.854592560000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.250000000000000, 0.341744710000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.750000000000000, 0.658255290000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.405062550000000, 0.339192150000000, 0.854592560000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.096013510000000, 0.665247740000000, 0.925749680000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.903986490000000, 0.334752260000000, 0.074250320000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.795874820000000, 0.779718960000000, 0.651593070000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.000000000000000, 0.758304570000000, 0.570244160000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.795874820000000, 0.220281040000000, 0.348406930000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.500000000000000, 0.695396930000000, 0.738360510000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.295874820000000, 0.779718960000000, 0.848406930000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.233336600000000, 0.308871180000000, 0.935504120000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.594937450000000, 0.660807850000000, 0.145407440000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.500000000000000, 0.304603070000000, 0.261639490000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.596013510000000, 0.665247740000000, 0.574250320000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.000000000000000, 0.239474960000000, 0.860570380000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.204125180000000, 0.220281040000000, 0.348406930000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.204125180000000, 0.779718960000000, 0.651593070000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.905062550000000, 0.660807850000000, 0.354592560000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.403986490000000, 0.334752260000000, 0.425749680000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.704125180000000, 0.220281040000000, 0.151593070000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.096013510000000, 0.334752260000000, 0.074250320000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.733336600000000, 0.691128820000000, 0.435504120000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.905062550000000, 0.339192150000000, 0.645407440000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.000000000000000, 0.760525040000000, 0.139429620000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.500000000000000, 0.758304570000000, 0.929755840000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.094937450000000, 0.339192150000000, 0.645407440000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.500000000000000, 0.239474960000000, 0.639429620000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.000000000000000, 0.304603070000000, 0.238360510000000 ] mass: 15.999400 reduced_to: 80supercell: lattice: - [ 12.775679480000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.585065840000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.433263640000000 ] # c points: - symbol: Er # 1 coordinates: [ 0.635418710000000, 0.998662290000000, 0.693706600000000 ] mass: 167.259000 reduced_to: 1 - symbol: Er # 2 coordinates: [ 0.364581290000000, 0.001337710000000, 0.306293400000000 ] mass: 167.259000 reduced_to: 2 - symbol: Er # 3 coordinates: [ 0.864581290000000, 0.001337710000000, 0.193706600000000 ] mass: 167.259000 reduced_to: 3 - symbol: Er # 4 coordinates: [ 0.864581290000000, 0.998662290000000, 0.806293400000000 ] mass: 167.259000 reduced_to: 4 - symbol: Er # 5 coordinates: [ 0.132195670000000, 0.000000000000000, 0.500000000000000 ] mass: 167.259000 reduced_to: 5 - symbol: Er # 6 coordinates: [ 0.135418710000000, 0.001337710000000, 0.193706600000000 ] mass: 167.259000 reduced_to: 6 - symbol: Er # 7 coordinates: [ 0.867804330000000, 0.000000000000000, 0.500000000000000 ] mass: 167.259000 reduced_to: 7 - symbol: Er # 8 coordinates: [ 0.635418710000000, 0.001337710000000, 0.306293400000000 ] mass: 167.259000 reduced_to: 8 - symbol: Er # 9 coordinates: [ 0.632195670000000, 0.000000000000000, 0.000000000000000 ] mass: 167.259000 reduced_to: 9 - symbol: Er # 10 coordinates: [ 0.364581290000000, 0.998662290000000, 0.693706600000000 ] mass: 167.259000 reduced_to: 10 - symbol: Er # 11 coordinates: [ 0.135418710000000, 0.998662290000000, 0.806293400000000 ] mass: 167.259000 reduced_to: 11 - symbol: Er # 12 coordinates: [ 0.367804330000000, 0.000000000000000, 0.000000000000000 ] mass: 167.259000 reduced_to: 12 - symbol: B # 13 coordinates: [ 0.338305640000000, 0.500000000000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 13 - symbol: B # 14 coordinates: [ 0.838305640000000, 0.500000000000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 14 - symbol: B # 15 coordinates: [ 0.500000000000000, 0.536942470000000, 0.849898530000000 ] mass: 10.811000 reduced_to: 15 - symbol: B # 16 coordinates: [ 0.702001690000000, 0.531724000000000, 0.150873310000000 ] mass: 10.811000 reduced_to: 16 - symbol: B # 17 coordinates: [ 0.000000000000000, 0.536942470000000, 0.650101470000000 ] mass: 10.811000 reduced_to: 17 - symbol: B # 18 coordinates: [ 0.202001690000000, 0.468276000000000, 0.650873310000000 ] mass: 10.811000 reduced_to: 18 - symbol: B # 19 coordinates: [ 0.797998310000000, 0.531724000000000, 0.349126690000000 ] mass: 10.811000 reduced_to: 19 - symbol: B # 20 coordinates: [ 0.500000000000000, 0.456628080000000, 0.373739330000000 ] mass: 10.811000 reduced_to: 20 - symbol: B # 21 coordinates: [ 0.161694360000000, 0.500000000000000, 0.000000000000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 22 coordinates: [ 0.702001690000000, 0.468276000000000, 0.849126690000000 ] mass: 10.811000 reduced_to: 22 - symbol: B # 23 coordinates: [ 0.000000000000000, 0.456628080000000, 0.126260670000000 ] mass: 10.811000 reduced_to: 23 - symbol: B # 24 coordinates: [ 0.000000000000000, 0.463057530000000, 0.349898530000000 ] mass: 10.811000 reduced_to: 24 - symbol: B # 25 coordinates: [ 0.297998310000000, 0.468276000000000, 0.849126690000000 ] mass: 10.811000 reduced_to: 25 - symbol: B # 26 coordinates: [ 0.500000000000000, 0.463057530000000, 0.150101470000000 ] mass: 10.811000 reduced_to: 26 - symbol: B # 27 coordinates: [ 0.797998310000000, 0.468276000000000, 0.650873310000000 ] mass: 10.811000 reduced_to: 27 - symbol: B # 28 coordinates: [ 0.500000000000000, 0.543371920000000, 0.626260670000000 ] mass: 10.811000 reduced_to: 28 - symbol: B # 29 coordinates: [ 0.000000000000000, 0.543371920000000, 0.873739330000000 ] mass: 10.811000 reduced_to: 29 - symbol: B # 30 coordinates: [ 0.297998310000000, 0.531724000000000, 0.150873310000000 ] mass: 10.811000 reduced_to: 30 - symbol: B # 31 coordinates: [ 0.661694360000000, 0.500000000000000, 0.500000000000000 ] mass: 10.811000 reduced_to: 31 - symbol: B # 32 coordinates: [ 0.202001690000000, 0.531724000000000, 0.349126690000000 ] mass: 10.811000 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.733336600000000, 0.308871180000000, 0.564495880000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.405062550000000, 0.660807850000000, 0.145407440000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.403986490000000, 0.665247740000000, 0.574250320000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.766663400000000, 0.308871180000000, 0.935504120000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.250000000000000, 0.658255290000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.903986490000000, 0.665247740000000, 0.925749680000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.266663400000000, 0.691128820000000, 0.435504120000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.000000000000000, 0.241695430000000, 0.429755840000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.596013510000000, 0.334752260000000, 0.425749680000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.704125180000000, 0.779718960000000, 0.848406930000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.750000000000000, 0.341744710000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.266663400000000, 0.308871180000000, 0.564495880000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.766663400000000, 0.691128820000000, 0.064495880000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.295874820000000, 0.220281040000000, 0.151593070000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.500000000000000, 0.241695430000000, 0.070244160000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.000000000000000, 0.695396930000000, 0.761639490000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.500000000000000, 0.760525040000000, 0.360570380000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.233336600000000, 0.691128820000000, 0.064495880000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.094937450000000, 0.660807850000000, 0.354592560000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.594937450000000, 0.339192150000000, 0.854592560000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.250000000000000, 0.341744710000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.750000000000000, 0.658255290000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.405062550000000, 0.339192150000000, 0.854592560000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.096013510000000, 0.665247740000000, 0.925749680000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.903986490000000, 0.334752260000000, 0.074250320000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.795874820000000, 0.779718960000000, 0.651593070000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.000000000000000, 0.758304570000000, 0.570244160000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.795874820000000, 0.220281040000000, 0.348406930000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.500000000000000, 0.695396930000000, 0.738360510000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.295874820000000, 0.779718960000000, 0.848406930000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.233336600000000, 0.308871180000000, 0.935504120000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.594937450000000, 0.660807850000000, 0.145407440000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.500000000000000, 0.304603070000000, 0.261639490000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.596013510000000, 0.665247740000000, 0.574250320000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.000000000000000, 0.239474960000000, 0.860570380000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.204125180000000, 0.220281040000000, 0.348406930000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.204125180000000, 0.779718960000000, 0.651593070000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.905062550000000, 0.660807850000000, 0.354592560000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.403986490000000, 0.334752260000000, 0.425749680000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.704125180000000, 0.220281040000000, 0.151593070000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.096013510000000, 0.334752260000000, 0.074250320000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.733336600000000, 0.691128820000000, 0.435504120000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.905062550000000, 0.339192150000000, 0.645407440000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.000000000000000, 0.760525040000000, 0.139429620000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.500000000000000, 0.758304570000000, 0.929755840000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.094937450000000, 0.339192150000000, 0.645407440000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.500000000000000, 0.239474960000000, 0.639429620000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.000000000000000, 0.304603070000000, 0.238360510000000 ] mass: 15.999400 reduced_to: 80displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.2382459100000000, -0.0201359200000000, -0.0411400100000000 ] - [ 0.0021112900000000, 0.0004915900000000, 0.0037847100000000 ] - [ 0.0007156000000000, 0.0000943200000000, 0.0001902000000000 ] - [ 0.0410391000000000, 0.0002407600000000, 0.0278188200000000 ] - [ 0.0115653100000000, 0.0003884700000000, 0.0004151600000000 ] - [ 0.0049215500000000, 0.0000139800000000, 0.0002330100000000 ] - [ 0.0138306900000000, 0.0020229300000000, -0.0195680300000000 ] - [ -0.0089807300000000, 0.0007062900000000, 0.0013904100000000 ] - [ -0.0166476700000000, 0.0017409200000000, 0.0018501200000000 ] - [ 0.0470461500000000, 0.0019075600000000, -0.0041403700000000 ] - [ 0.0147765200000000, -0.0000442000000000, -0.0016339500000000 ] - [ 0.0028341800000000, -0.0004175000000000, -0.0073708500000000 ] - [ 0.0091913500000000, 0.0028852200000000, 0.0095431100000000 ] - [ 0.0012548800000000, 0.0003144100000000, 0.0062600500000000 ] - [ -0.0060427300000000, 0.0088446500000000, -0.0293129400000000 ] - [ -0.0043508100000000, -0.0003197800000000, 0.0012475600000000 ] - [ 0.0136925100000000, 0.0008523400000000, -0.0003449100000000 ] - [ 0.0094856100000000, 0.0004427200000000, 0.0004502500000000 ] - [ -0.0000385000000000, 0.0007372100000000, -0.0029906200000000 ] - [ -0.0040355500000000, -0.0002543900000000, 0.0040971400000000 ] - [ 0.0057460000000000, -0.0014188700000000, -0.0005007000000000 ] - [ -0.0231687200000000, -0.0054739600000000, 0.0206804300000000 ] - [ 0.0033371100000000, 0.0000098000000000, 0.0003304400000000 ] - [ 0.0032028700000000, 0.0013959100000000, -0.0023295100000000 ] - [ 0.0081386300000000, 0.0007659600000000, -0.0024843600000000 ] - [ -0.0023369400000000, -0.0008443900000000, -0.0000031200000000 ] - [ 0.0144710000000000, -0.0097389700000000, -0.0102106700000000 ] - [ 0.0052778700000000, -0.0098812700000000, 0.0233736900000000 ] - [ 0.0065165600000000, 0.0010176500000000, 0.0029667700000000 ] - [ 0.0010748100000000, -0.0000841400000000, -0.0000727400000000 ] - [ -0.0315244200000000, 0.0105630400000000, -0.0008401600000000 ] - [ 0.0044292900000000, 0.0007628500000000, 0.0015840400000000 ] - [ 0.0189593100000000, -0.0033558300000000, 0.0108408900000000 ] - [ -0.0000742200000000, -0.0006827600000000, 0.0004184900000000 ] - [ -0.0090692000000000, -0.0001255100000000, -0.0095292500000000 ] - [ 0.0031446200000000, 0.0006739100000000, -0.0080334600000000 ] - [ -0.0019307700000000, 0.0002256600000000, -0.0003672300000000 ] - [ -0.0030979200000000, 0.0028519100000000, -0.0042774600000000 ] - [ -0.0049981400000000, 0.0007094600000000, -0.0036919100000000 ] - [ -0.0055130200000000, -0.0015212600000000, 0.0024208800000000 ] - [ 0.0075589200000000, -0.0010925100000000, -0.0023595100000000 ] - [ 0.0175198700000000, -0.0000755000000000, -0.0068321200000000 ] - [ 0.0315398300000000, 0.0258736200000000, 0.0011539100000000 ] - [ -0.0082875500000000, -0.0001836200000000, -0.0014872200000000 ] - [ 0.0020451100000000, -0.0007647500000000, -0.0032113100000000 ] - [ -0.0013754100000000, 0.0002340500000000, 0.0006606800000000 ] - [ 0.0035751300000000, -0.0004628700000000, 0.0009991300000000 ] - [ -0.0078569100000000, 0.0003938900000000, -0.0014522200000000 ] - [ 0.0025729800000000, 0.0010735600000000, -0.0026636100000000 ] - [ -0.0023506100000000, -0.0001461900000000, 0.0005912200000000 ] - [ -0.0038919400000000, -0.0005536000000000, 0.0004441300000000 ] - [ 0.0263773800000000, -0.0011767900000000, 0.0053334000000000 ] - [ -0.0076011500000000, 0.0009202700000000, 0.0005250900000000 ] - [ 0.0021346500000000, -0.0004225600000000, 0.0010805900000000 ] - [ -0.0057943300000000, -0.0008731700000000, 0.0078122000000000 ] - [ -0.0058004200000000, -0.0008448900000000, -0.0021771700000000 ] - [ -0.0019562900000000, 0.0004520500000000, -0.0025152900000000 ] - [ 0.0150092700000000, -0.0057650900000000, -0.0003626400000000 ] - [ -0.0089258900000000, -0.0009321800000000, 0.0023079600000000 ] - [ 0.0017012300000000, -0.0002836700000000, 0.0034019000000000 ] - [ 0.0249989000000000, 0.0149386300000000, 0.0038297000000000 ] - [ -0.0060944800000000, -0.0000794700000000, 0.0041819200000000 ] - [ -0.0054187700000000, -0.0002748300000000, 0.0023123400000000 ] - [ 0.0038706700000000, 0.0003703700000000, -0.0002451500000000 ] - [ 0.0020304200000000, -0.0005651700000000, -0.0013237600000000 ] - [ 0.0298206700000000, 0.0091870200000000, -0.0034284200000000 ] - [ -0.0089844900000000, -0.0015699800000000, -0.0015292400000000 ] - [ -0.0027102800000000, -0.0004572100000000, -0.0004590300000000 ] - [ -0.0082088200000000, -0.0009132900000000, -0.0008646000000000 ] - [ -0.0011436900000000, 0.0010145500000000, 0.0021042000000000 ] - [ 0.0000965200000000, -0.0004381500000000, -0.0061843200000000 ] - [ 0.0022040200000000, 0.0003454300000000, -0.0006141300000000 ] - [ -0.0029071600000000, 0.0002834100000000, 0.0007863700000000 ] - [ 0.0063936900000000, -0.0013896900000000, 0.0041577500000000 ] - [ -0.0121245700000000, 0.0011728100000000, 0.0018606500000000 ] - [ -0.0024243500000000, -0.0001866000000000, -0.0004837600000000 ] - [ 0.0047042300000000, 0.0024201200000000, 0.0105450500000000 ] - [ -0.0095910000000000, 0.0004007600000000, 0.0000828900000000 ] - [ 0.0445424000000000, -0.0260786900000000, 0.0121727300000000 ] - [ -0.0019553600000000, 0.0000891200000000, 0.0007957500000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.2384854200000000, 0.0188434700000000, 0.0414113300000000 ] - [ -0.0016670000000000, -0.0002305200000000, -0.0037396900000000 ] - [ -0.0003262200000000, 0.0001656000000000, -0.0002525900000000 ] - [ -0.0402474800000000, -0.0004869200000000, -0.0273754900000000 ] - [ -0.0124582600000000, -0.0003886700000000, -0.0004406300000000 ] - [ -0.0053430000000000, 0.0002512100000000, -0.0002914300000000 ] - [ -0.0129313900000000, -0.0019931700000000, 0.0194458900000000 ] - [ 0.0085628900000000, -0.0004422700000000, -0.0013073900000000 ] - [ 0.0158069800000000, -0.0017454600000000, -0.0019609700000000 ] - [ -0.0471750200000000, -0.0021741700000000, 0.0040872800000000 ] - [ -0.0152042600000000, -0.0002172200000000, 0.0017039500000000 ] - [ -0.0019164300000000, 0.0004189100000000, 0.0074064200000000 ] - [ -0.0090320600000000, -0.0028876600000000, -0.0095970700000000 ] - [ -0.0011412900000000, -0.0003215500000000, -0.0062607000000000 ] - [ 0.0061810900000000, -0.0090383900000000, 0.0290993200000000 ] - [ 0.0042498900000000, 0.0005493000000000, -0.0009861600000000 ] - [ -0.0136844700000000, -0.0009584000000000, 0.0006927400000000 ] - [ -0.0095955500000000, -0.0006788700000000, -0.0001846700000000 ] - [ 0.0001183800000000, -0.0005000600000000, 0.0027314200000000 ] - [ 0.0040924900000000, -0.0001093600000000, -0.0039742300000000 ] - [ -0.0059127700000000, 0.0014179800000000, 0.0005226000000000 ] - [ 0.0229393600000000, 0.0053381400000000, -0.0209248400000000 ] - [ -0.0033546500000000, -0.0003775000000000, -0.0004480800000000 ] - [ -0.0032176000000000, -0.0012770600000000, 0.0019631900000000 ] - [ -0.0080482200000000, -0.0010097200000000, 0.0022324600000000 ] - [ 0.0023532300000000, 0.0009482500000000, 0.0003512000000000 ] - [ -0.0143504800000000, 0.0094357200000000, 0.0104016900000000 ] - [ -0.0051411500000000, 0.0103130700000000, -0.0237387800000000 ] - [ -0.0065390100000000, -0.0006348300000000, -0.0028237700000000 ] - [ -0.0009538100000000, 0.0003116800000000, 0.0003392900000000 ] - [ 0.0312270000000000, -0.0105294600000000, 0.0009658000000000 ] - [ -0.0045366400000000, -0.0005324600000000, -0.0018570700000000 ] - [ -0.0184021400000000, 0.0034492800000000, -0.0106917000000000 ] - [ -0.0003660300000000, 0.0007972600000000, -0.0008389900000000 ] - [ 0.0087795800000000, -0.0000735200000000, 0.0098433200000000 ] - [ -0.0032795100000000, -0.0008160600000000, 0.0077594100000000 ] - [ 0.0019254500000000, 0.0001107200000000, 0.0003731000000000 ] - [ 0.0028871100000000, -0.0030917200000000, 0.0039789500000000 ] - [ 0.0048042600000000, -0.0006078300000000, 0.0034402600000000 ] - [ 0.0055213300000000, 0.0012518000000000, -0.0022753700000000 ] - [ -0.0073348900000000, 0.0013130800000000, 0.0020398100000000 ] - [ -0.0172113600000000, -0.0000368000000000, 0.0070272100000000 ] - [ -0.0307414000000000, -0.0251488800000000, -0.0007995600000000 ] - [ 0.0081063400000000, 0.0000800300000000, 0.0017877500000000 ] - [ -0.0022201300000000, 0.0008566700000000, 0.0035013500000000 ] - [ 0.0012598900000000, -0.0002737600000000, -0.0005737200000000 ] - [ -0.0036100500000000, 0.0002033700000000, -0.0011250100000000 ] - [ 0.0078528900000000, -0.0001269800000000, 0.0012932000000000 ] - [ -0.0026065800000000, -0.0006665700000000, 0.0026751600000000 ] - [ 0.0025393900000000, 0.0002445700000000, -0.0003312500000000 ] - [ 0.0043228400000000, 0.0006688300000000, -0.0000195900000000 ] - [ -0.0260543000000000, 0.0012173000000000, -0.0048308200000000 ] - [ 0.0076162000000000, -0.0012682500000000, -0.0005351100000000 ] - [ -0.0021260500000000, 0.0007658500000000, -0.0010784700000000 ] - [ 0.0053486800000000, 0.0007337900000000, -0.0074278400000000 ] - [ 0.0060547400000000, 0.0005937100000000, 0.0018971500000000 ] - [ 0.0017247800000000, -0.0001981900000000, 0.0027831000000000 ] - [ -0.0137835500000000, 0.0050877400000000, 0.0000742100000000 ] - [ 0.0089294600000000, 0.0011852200000000, -0.0024168200000000 ] - [ -0.0017921200000000, 0.0002365900000000, -0.0034933300000000 ] - [ -0.0260908200000000, -0.0156462100000000, -0.0033132500000000 ] - [ 0.0059955200000000, 0.0001184800000000, -0.0043067000000000 ] - [ 0.0056217000000000, 0.0001808800000000, -0.0026118900000000 ] - [ -0.0034616200000000, -0.0002668800000000, -0.0001639600000000 ] - [ -0.0020511400000000, 0.0002999400000000, 0.0011722100000000 ] - [ -0.0295887700000000, -0.0095745900000000, 0.0036267600000000 ] - [ 0.0089843500000000, 0.0011445300000000, 0.0015304000000000 ] - [ 0.0028195300000000, 0.0004175300000000, 0.0003788200000000 ] - [ 0.0083337100000000, 0.0009598400000000, 0.0009642700000000 ] - [ 0.0007470400000000, -0.0008999300000000, -0.0016849800000000 ] - [ -0.0003754500000000, 0.0006906700000000, 0.0059545100000000 ] - [ -0.0020918000000000, -0.0003840100000000, 0.0007133200000000 ] - [ 0.0031705900000000, -0.0000292900000000, -0.0005336100000000 ] - [ -0.0061617900000000, 0.0015059600000000, -0.0044493200000000 ] - [ 0.0117273400000000, -0.0013221200000000, -0.0022522600000000 ] - [ 0.0024388400000000, 0.0005854900000000, 0.0004633900000000 ] - [ -0.0047760900000000, -0.0021403300000000, -0.0104554800000000 ] - [ 0.0100200100000000, -0.0005118000000000, -0.0004911100000000 ] - [ -0.0466127700000000, 0.0272768400000000, -0.0131238600000000 ] - [ 0.0019667800000000, -0.0003519000000000, -0.0006446900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0194131500000000, -0.1444616800000000, -0.0202287300000000 ] - [ 0.0005613400000000, -0.0002472800000000, 0.0001612000000000 ] - [ 0.0001698200000000, -0.0000984000000000, 0.0001807100000000 ] - [ -0.0002440100000000, -0.0108569500000000, -0.0004501000000000 ] - [ -0.0005024100000000, -0.0001693600000000, -0.0001834600000000 ] - [ -0.0000858600000000, 0.0001067100000000, 0.0000834400000000 ] - [ 0.0011798300000000, -0.0055523900000000, 0.0016531000000000 ] - [ -0.0007752900000000, -0.0007353300000000, 0.0008415900000000 ] - [ 0.0011998500000000, -0.0054721000000000, 0.0004429800000000 ] - [ -0.0017909600000000, -0.0103458000000000, 0.0028266400000000 ] - [ -0.0001200000000000, -0.0002786400000000, 0.0001409400000000 ] - [ 0.0004236300000000, -0.0006804400000000, -0.0000673100000000 ] - [ 0.0003902600000000, 0.0019070900000000, 0.0003826400000000 ] - [ 0.0005680900000000, 0.0018548500000000, 0.0005928600000000 ] - [ -0.0058915300000000, 0.0174390000000000, -0.0119519300000000 ] - [ 0.0001507600000000, 0.0003084000000000, 0.0004550000000000 ] - [ 0.0003621700000000, 0.0018398700000000, 0.0001144100000000 ] - [ 0.0001942900000000, -0.0000484400000000, 0.0001243500000000 ] - [ -0.0005463500000000, 0.0013278400000000, 0.0002194900000000 ] - [ 0.0003526100000000, 0.0011185000000000, 0.0007161600000000 ] - [ -0.0000528600000000, 0.0001018000000000, 0.0000128500000000 ] - [ 0.0034482700000000, 0.0275554100000000, 0.0095555200000000 ] - [ 0.0002090600000000, -0.0000900700000000, 0.0000498300000000 ] - [ 0.0000235100000000, 0.0001863600000000, -0.0001191300000000 ] - [ -0.0001335500000000, 0.0005720500000000, -0.0004939900000000 ] - [ -0.0001258200000000, 0.0004169200000000, 0.0005912700000000 ] - [ 0.0090859000000000, 0.0276533000000000, -0.0048649400000000 ] - [ 0.0162508900000000, 0.0403352700000000, 0.0027574800000000 ] - [ 0.0004183500000000, 0.0002330200000000, 0.0002040600000000 ] - [ 0.0000820700000000, 0.0001352400000000, 0.0002021300000000 ] - [ -0.0126840000000000, 0.0220286800000000, 0.0041308400000000 ] - [ 0.0000094800000000, 0.0002040200000000, -0.0000275600000000 ] - [ 0.0009964400000000, -0.0042843700000000, 0.0042918300000000 ] - [ -0.0002232700000000, -0.0000446400000000, -0.0002501500000000 ] - [ -0.0042567800000000, -0.0020343000000000, -0.0015603200000000 ] - [ -0.0019510300000000, -0.0001829900000000, -0.0037252800000000 ] - [ -0.0000258400000000, 0.0001405300000000, -0.0000909800000000 ] - [ 0.0003233400000000, -0.0005426800000000, -0.0004812500000000 ] - [ -0.0004117800000000, -0.0000584500000000, -0.0004056200000000 ] - [ 0.0001931100000000, 0.0000274700000000, 0.0001077900000000 ] - [ 0.0011002400000000, -0.0033502000000000, -0.0010875500000000 ] - [ -0.0004666500000000, 0.0021895800000000, -0.0032231100000000 ] - [ 0.0175028800000000, 0.0163146400000000, 0.0089678300000000 ] - [ -0.0001830900000000, -0.0003874000000000, 0.0001443100000000 ] - [ -0.0000034800000000, -0.0004196700000000, 0.0003650900000000 ] - [ -0.0000608500000000, -0.0000283500000000, -0.0000261400000000 ] - [ 0.0002069800000000, 0.0001155400000000, -0.0008035700000000 ] - [ 0.0000870200000000, -0.0001096000000000, 0.0002233200000000 ] - [ -0.0005448800000000, 0.0001196400000000, -0.0010811900000000 ] - [ 0.0000524500000000, 0.0000233700000000, 0.0000904700000000 ] - [ 0.0001752000000000, 0.0000313200000000, 0.0001383300000000 ] - [ 0.0033926400000000, -0.0077132200000000, -0.0082486500000000 ] - [ 0.0000338100000000, -0.0001627700000000, 0.0002033100000000 ] - [ 0.0000794900000000, 0.0000686500000000, -0.0004549000000000 ] - [ 0.0008569800000000, -0.0026441700000000, 0.0009090800000000 ] - [ 0.0001120300000000, -0.0001290700000000, -0.0000938000000000 ] - [ -0.0005199700000000, 0.0000894900000000, -0.0003285500000000 ] - [ -0.0003947300000000, 0.0017665900000000, 0.0025513700000000 ] - [ 0.0007903700000000, -0.0002432700000000, -0.0004369200000000 ] - [ -0.0002162700000000, -0.0000455100000000, 0.0006045800000000 ] - [ 0.0084037400000000, 0.0092924400000000, -0.0013252100000000 ] - [ -0.0006847500000000, 0.0002585400000000, -0.0001222800000000 ] - [ 0.0002280800000000, 0.0000279700000000, -0.0002158400000000 ] - [ 0.0002863500000000, 0.0000159900000000, -0.0004821200000000 ] - [ 0.0000290400000000, -0.0001340900000000, -0.0003205700000000 ] - [ 0.0077357400000000, 0.0203474800000000, 0.0263778000000000 ] - [ 0.0001696400000000, 0.0000473000000000, 0.0000417000000000 ] - [ 0.0000092300000000, -0.0000332400000000, -0.0000610000000000 ] - [ 0.0003948400000000, 0.0002295000000000, 0.0003670600000000 ] - [ 0.0002161000000000, -0.0000267400000000, 0.0001109400000000 ] - [ 0.0000780600000000, -0.0004367000000000, 0.0003995200000000 ] - [ 0.0001918000000000, 0.0000070500000000, -0.0001789600000000 ] - [ 0.0000506300000000, 0.0001543600000000, 0.0001002400000000 ] - [ 0.0028411100000000, -0.0028760200000000, -0.0013339300000000 ] - [ -0.0039694600000000, -0.0014504100000000, 0.0008733200000000 ] - [ -0.0000867400000000, 0.0001694800000000, -0.0000579200000000 ] - [ 0.0008180400000000, -0.0014335200000000, 0.0028297300000000 ] - [ -0.0001412800000000, -0.0000359200000000, -0.0001494700000000 ] - [ -0.0258624100000000, 0.0112241700000000, -0.0111361100000000 ] - [ -0.0000665900000000, -0.0001412500000000, -0.0000685600000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0195971000000000, 0.1450170100000000, 0.0211450200000000 ] - [ -0.0001546200000000, 0.0005144500000000, -0.0001152200000000 ] - [ 0.0002442000000000, 0.0003613600000000, -0.0002366500000000 ] - [ 0.0004852200000000, 0.0105345700000000, 0.0004319800000000 ] - [ -0.0003754000000000, 0.0001687700000000, 0.0001865300000000 ] - [ -0.0003270800000000, 0.0001591400000000, -0.0001348700000000 ] - [ -0.0003310600000000, 0.0055351800000000, -0.0016061000000000 ] - [ 0.0003676700000000, 0.0010010800000000, -0.0008036600000000 ] - [ -0.0020494400000000, 0.0054401300000000, -0.0005011400000000 ] - [ 0.0022955900000000, 0.0100968400000000, -0.0028719300000000 ] - [ -0.0002952100000000, 0.0000137900000000, -0.0000904600000000 ] - [ 0.0004519600000000, 0.0006776000000000, 0.0000637900000000 ] - [ -0.0002328300000000, -0.0019161300000000, -0.0003913800000000 ] - [ -0.0004048200000000, -0.0018464900000000, -0.0006026000000000 ] - [ 0.0057995700000000, -0.0175182400000000, 0.0116997300000000 ] - [ -0.0002373700000000, -0.0000920200000000, -0.0001896700000000 ] - [ -0.0003728100000000, -0.0019329500000000, 0.0002412400000000 ] - [ -0.0002910800000000, -0.0001673200000000, 0.0001488100000000 ] - [ 0.0006445100000000, -0.0011141300000000, -0.0004993400000000 ] - [ -0.0003625200000000, -0.0014753700000000, -0.0006040600000000 ] - [ -0.0001139100000000, -0.0000997600000000, -0.0000170400000000 ] - [ -0.0034129500000000, -0.0276280900000000, -0.0094984500000000 ] - [ -0.0002142400000000, -0.0002642100000000, -0.0001739400000000 ] - [ -0.0000232600000000, -0.0000884100000000, -0.0002327600000000 ] - [ 0.0002232000000000, -0.0007875600000000, 0.0002245200000000 ] - [ 0.0001242700000000, -0.0003156100000000, -0.0002439700000000 ] - [ -0.0086760000000000, -0.0277577700000000, 0.0050265800000000 ] - [ -0.0166594500000000, -0.0400784700000000, -0.0029793200000000 ] - [ -0.0004220600000000, 0.0001199300000000, -0.0000807000000000 ] - [ 0.0000128900000000, 0.0000815800000000, 0.0000622200000000 ] - [ 0.0125743000000000, -0.0221107700000000, -0.0043459100000000 ] - [ -0.0001054800000000, 0.0000121000000000, -0.0002381100000000 ] - [ -0.0006363300000000, 0.0044395500000000, -0.0041672300000000 ] - [ -0.0002106300000000, 0.0001033700000000, -0.0001511100000000 ] - [ 0.0040601000000000, 0.0017642900000000, 0.0018122700000000 ] - [ 0.0017481100000000, 0.0000923300000000, 0.0034229400000000 ] - [ 0.0000298200000000, 0.0001768700000000, 0.0000921200000000 ] - [ -0.0005506500000000, 0.0002484100000000, 0.0002250800000000 ] - [ 0.0002296500000000, 0.0001242700000000, 0.0001342100000000 ] - [ -0.0001878900000000, -0.0002558100000000, -0.0000029200000000 ] - [ -0.0008546200000000, 0.0036421300000000, 0.0008349800000000 ] - [ 0.0007452400000000, -0.0024249900000000, 0.0034589300000000 ] - [ -0.0166272700000000, -0.0156751400000000, -0.0085470600000000 ] - [ -0.0000003300000000, 0.0003281000000000, 0.0001335500000000 ] - [ -0.0001886800000000, 0.0004769700000000, -0.0000713600000000 ] - [ -0.0000477600000000, 0.0000143700000000, 0.0001202000000000 ] - [ -0.0002092600000000, -0.0003438500000000, 0.0006963300000000 ] - [ -0.0000823500000000, 0.0003311500000000, -0.0003553500000000 ] - [ 0.0005487200000000, 0.0002646600000000, 0.0011069200000000 ] - [ 0.0001416000000000, 0.0000399000000000, 0.0001866600000000 ] - [ 0.0002662200000000, 0.0000313100000000, 0.0002644300000000 ] - [ -0.0029622600000000, 0.0078382200000000, 0.0086934000000000 ] - [ -0.0000281600000000, -0.0001527600000000, -0.0002029000000000 ] - [ -0.0000832100000000, 0.0002507800000000, 0.0004640400000000 ] - [ -0.0012892400000000, 0.0025725700000000, -0.0004988400000000 ] - [ 0.0001370800000000, -0.0001603800000000, -0.0001600100000000 ] - [ 0.0002791600000000, 0.0001958100000000, 0.0005942500000000 ] - [ 0.0005621500000000, -0.0020252500000000, -0.0025392700000000 ] - [ -0.0007823600000000, 0.0004735800000000, 0.0003252500000000 ] - [ 0.0000961800000000, 0.0000350300000000, -0.0006942600000000 ] - [ -0.0091031900000000, -0.0096395200000000, 0.0016503100000000 ] - [ 0.0005725000000000, -0.0002486000000000, 0.0000313400000000 ] - [ -0.0000316900000000, -0.0000912000000000, -0.0000656800000000 ] - [ 0.0001448300000000, 0.0000432600000000, 0.0000838800000000 ] - [ -0.0000290600000000, -0.0000910000000000, 0.0001924500000000 ] - [ -0.0079438700000000, -0.0218738600000000, -0.0274172800000000 ] - [ -0.0001620400000000, -0.0004258300000000, -0.0000285100000000 ] - [ 0.0001104900000000, 0.0000180000000000, -0.0000322700000000 ] - [ -0.0002738700000000, -0.0002160400000000, -0.0002745200000000 ] - [ -0.0006600400000000, 0.0000871800000000, 0.0002926800000000 ] - [ -0.0003128900000000, 0.0007266600000000, -0.0006552000000000 ] - [ -0.0000831400000000, -0.0000212600000000, 0.0002794900000000 ] - [ 0.0001914800000000, 0.0001392800000000, 0.0001590000000000 ] - [ -0.0026889800000000, 0.0029440000000000, 0.0010713500000000 ] - [ 0.0035142600000000, 0.0013505100000000, -0.0012690200000000 ] - [ 0.0000884900000000, 0.0002086100000000, 0.0000442700000000 ] - [ -0.0008407700000000, 0.0016497100000000, -0.0027321900000000 ] - [ 0.0005834100000000, -0.0000243700000000, -0.0002561000000000 ] - [ 0.0249955400000000, -0.0113998500000000, 0.0107763700000000 ] - [ 0.0000666400000000, -0.0000814100000000, 0.0002012300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0416970700000000, -0.0201255200000000, -0.1493997500000000 ] - [ 0.0039495300000000, 0.0002726500000000, 0.0058565100000000 ] - [ -0.0000009000000000, -0.0000776200000000, 0.0075868600000000 ] - [ 0.0278396200000000, 0.0003296200000000, -0.0065877400000000 ] - [ -0.0003343700000000, 0.0000174100000000, -0.0007697700000000 ] - [ 0.0000579000000000, 0.0000235600000000, 0.0031919300000000 ] - [ -0.0156764800000000, 0.0015162500000000, 0.0024846200000000 ] - [ -0.0015515200000000, 0.0009516300000000, 0.0148404900000000 ] - [ -0.0023436700000000, 0.0010836100000000, 0.0280030200000000 ] - [ 0.0044123700000000, 0.0027210700000000, -0.0142863000000000 ] - [ 0.0014708300000000, -0.0002470700000000, -0.0034863600000000 ] - [ -0.0071239900000000, 0.0009592600000000, 0.0046235800000000 ] - [ 0.0047745100000000, 0.0006409000000000, 0.0016361100000000 ] - [ 0.0064143100000000, 0.0017893200000000, 0.0076368900000000 ] - [ -0.0229057000000000, 0.0041598800000000, -0.0065026000000000 ] - [ 0.0001695600000000, 0.0001577300000000, 0.0073656400000000 ] - [ -0.0009631600000000, -0.0003984900000000, -0.0038629000000000 ] - [ 0.0009215900000000, 0.0001335500000000, -0.0030168000000000 ] - [ -0.0040537400000000, 0.0011273300000000, 0.0082776300000000 ] - [ 0.0072437400000000, -0.0004030500000000, 0.0074676400000000 ] - [ -0.0001934900000000, 0.0000010300000000, 0.0015610400000000 ] - [ 0.0169146800000000, -0.0073789900000000, 0.0061024500000000 ] - [ 0.0017261700000000, 0.0002907000000000, 0.0029883200000000 ] - [ -0.0017675600000000, 0.0009073700000000, 0.0022899200000000 ] - [ -0.0041034100000000, 0.0005292500000000, -0.0026300200000000 ] - [ -0.0008605900000000, 0.0006737000000000, 0.0086927900000000 ] - [ -0.0075011100000000, -0.0000915400000000, -0.0297876600000000 ] - [ 0.0265808600000000, -0.0011535800000000, -0.0233694200000000 ] - [ 0.0038230200000000, 0.0005386600000000, -0.0025697600000000 ] - [ -0.0008351500000000, 0.0001406500000000, 0.0025987600000000 ] - [ -0.0075004300000000, 0.0031582100000000, 0.0235171200000000 ] - [ 0.0003070200000000, 0.0002007300000000, 0.0019157000000000 ] - [ 0.0110906200000000, -0.0011996600000000, 0.0138503800000000 ] - [ 0.0006957500000000, -0.0000195600000000, -0.0036750700000000 ] - [ -0.0070337200000000, 0.0009555300000000, 0.0028005900000000 ] - [ -0.0078894800000000, 0.0007150000000000, -0.0056565100000000 ] - [ 0.0001784100000000, -0.0001887100000000, -0.0025850600000000 ] - [ -0.0054383600000000, 0.0004287700000000, -0.0006879000000000 ] - [ -0.0019285500000000, 0.0001800000000000, -0.0013104300000000 ] - [ 0.0018559900000000, 0.0007125300000000, -0.0010684900000000 ] - [ -0.0040690100000000, -0.0006014900000000, -0.0114698800000000 ] - [ -0.0001692000000000, -0.0078667400000000, 0.0207552200000000 ] - [ 0.0000008000000000, 0.0110792000000000, 0.0270337900000000 ] - [ -0.0027167900000000, -0.0006342900000000, 0.0016968900000000 ] - [ -0.0010639200000000, 0.0004666300000000, -0.0064651100000000 ] - [ 0.0005108500000000, -0.0000100500000000, -0.0028466900000000 ] - [ 0.0033531300000000, -0.0028044700000000, -0.0063739200000000 ] - [ -0.0014419000000000, 0.0014789700000000, 0.0042664500000000 ] - [ -0.0032366900000000, 0.0016242300000000, -0.0045072200000000 ] - [ 0.0004546700000000, 0.0004045400000000, -0.0013504100000000 ] - [ 0.0006397800000000, 0.0002246500000000, -0.0008892200000000 ] - [ 0.0069770500000000, -0.0043892500000000, 0.0005011800000000 ] - [ 0.0007220700000000, 0.0000901100000000, 0.0035372500000000 ] - [ -0.0002037100000000, -0.0003625700000000, -0.0076544400000000 ] - [ 0.0069092600000000, 0.0002542800000000, 0.0034603200000000 ] - [ -0.0013048400000000, -0.0007328800000000, -0.0002437100000000 ] - [ -0.0030896400000000, 0.0011407900000000, -0.0042519800000000 ] - [ -0.0044516000000000, 0.0045230400000000, 0.0227750100000000 ] - [ 0.0017272000000000, -0.0015127900000000, 0.0024934600000000 ] - [ 0.0020962800000000, -0.0010013600000000, -0.0049161600000000 ] - [ -0.0045713500000000, -0.0064658100000000, 0.0282292200000000 ] - [ 0.0015789600000000, -0.0009689200000000, 0.0027081900000000 ] - [ 0.0014940500000000, -0.0004537500000000, -0.0000958400000000 ] - [ 0.0005413600000000, 0.0007040900000000, -0.0054930600000000 ] - [ -0.0014739500000000, 0.0002851700000000, -0.0075580700000000 ] - [ 0.0015933200000000, 0.0306854800000000, 0.0410059800000000 ] - [ -0.0034532700000000, -0.0008998700000000, 0.0002868300000000 ] - [ -0.0005917400000000, -0.0001328800000000, -0.0013336100000000 ] - [ -0.0014112600000000, -0.0000243800000000, 0.0019457900000000 ] - [ 0.0026726300000000, -0.0002473000000000, -0.0024084400000000 ] - [ -0.0030854000000000, -0.0003486600000000, -0.0019002300000000 ] - [ -0.0006123700000000, -0.0000758100000000, -0.0063985000000000 ] - [ 0.0001225300000000, 0.0005457100000000, -0.0013611100000000 ] - [ 0.0070565700000000, 0.0001819200000000, -0.0093351900000000 ] - [ 0.0019136200000000, -0.0001838100000000, 0.0066779000000000 ] - [ -0.0004282300000000, -0.0004912500000000, -0.0016230100000000 ] - [ 0.0095923300000000, -0.0010237900000000, -0.0044936200000000 ] - [ 0.0000498300000000, -0.0000973300000000, 0.0017458500000000 ] - [ 0.0085989900000000, -0.0157956800000000, 0.0228434900000000 ] - [ 0.0000455400000000, -0.0005958200000000, -0.0030288600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0408597500000000, 0.0212332500000000, 0.1487775600000000 ] - [ -0.0035803700000000, 0.0000023700000000, -0.0057961300000000 ] - [ 0.0004371400000000, 0.0003483700000000, -0.0076288900000000 ] - [ -0.0273581900000000, -0.0005605200000000, 0.0064598600000000 ] - [ -0.0005311700000000, -0.0000178000000000, 0.0008028300000000 ] - [ -0.0004616400000000, 0.0002476700000000, -0.0032302600000000 ] - [ 0.0166447900000000, -0.0015185800000000, -0.0024192700000000 ] - [ 0.0011533100000000, -0.0006878800000000, -0.0148454000000000 ] - [ 0.0014684500000000, -0.0010635100000000, -0.0277602100000000 ] - [ -0.0038203700000000, -0.0029875800000000, 0.0142151500000000 ] - [ -0.0018618200000000, -0.0000229300000000, 0.0035021200000000 ] - [ 0.0079366700000000, -0.0009471000000000, -0.0046457100000000 ] - [ -0.0046032200000000, -0.0006245300000000, -0.0015747800000000 ] - [ -0.0062069300000000, -0.0017889500000000, -0.0076426800000000 ] - [ 0.0227650700000000, -0.0042592200000000, 0.0059358300000000 ] - [ -0.0002722300000000, 0.0000784700000000, -0.0070971300000000 ] - [ 0.0009398500000000, 0.0002717900000000, 0.0042205200000000 ] - [ -0.0010172600000000, -0.0003657600000000, 0.0032809600000000 ] - [ 0.0042015700000000, -0.0008991200000000, -0.0085574300000000 ] - [ -0.0073163400000000, 0.0000345000000000, -0.0073496800000000 ] - [ 0.0000280800000000, -0.0000025900000000, -0.0015805300000000 ] - [ -0.0168391000000000, 0.0070702100000000, -0.0064454600000000 ] - [ -0.0017143400000000, -0.0006607000000000, -0.0031056000000000 ] - [ 0.0017810300000000, -0.0007974300000000, -0.0026325500000000 ] - [ 0.0042059000000000, -0.0007547600000000, 0.0023367500000000 ] - [ 0.0008455400000000, -0.0005503400000000, -0.0083312200000000 ] - [ 0.0075650000000000, -0.0001130700000000, 0.0301901600000000 ] - [ -0.0266701800000000, 0.0014160600000000, 0.0235149000000000 ] - [ -0.0038108300000000, -0.0001722700000000, 0.0026589700000000 ] - [ 0.0009255700000000, 0.0000941700000000, -0.0023391800000000 ] - [ 0.0073724800000000, -0.0031957800000000, -0.0235013300000000 ] - [ -0.0004139500000000, 0.0000356000000000, -0.0021571000000000 ] - [ -0.0106400600000000, 0.0014182600000000, -0.0139761600000000 ] - [ -0.0011079600000000, 0.0001425900000000, 0.0032557400000000 ] - [ 0.0067670400000000, -0.0011626300000000, -0.0026121500000000 ] - [ 0.0076540400000000, -0.0008465400000000, 0.0054027300000000 ] - [ -0.0001713500000000, 0.0005289600000000, 0.0025798600000000 ] - [ 0.0051581000000000, -0.0006844700000000, 0.0004396500000000 ] - [ 0.0017290700000000, -0.0000796900000000, 0.0010123800000000 ] - [ -0.0018571200000000, -0.0009390900000000, 0.0011646700000000 ] - [ 0.0043432000000000, 0.0007909100000000, 0.0112281100000000 ] - [ 0.0007623700000000, 0.0072223800000000, -0.0196754300000000 ] - [ 0.0002112000000000, -0.0111283100000000, -0.0268889800000000 ] - [ 0.0025067700000000, 0.0005357200000000, -0.0014353500000000 ] - [ 0.0008518200000000, -0.0003636700000000, 0.0067421500000000 ] - [ -0.0006164100000000, -0.0000199200000000, 0.0029375900000000 ] - [ -0.0033274000000000, 0.0025647100000000, 0.0062543700000000 ] - [ 0.0014511100000000, -0.0012023300000000, -0.0044011600000000 ] - [ 0.0032705500000000, -0.0012650600000000, 0.0045473300000000 ] - [ -0.0002495200000000, -0.0003042600000000, 0.0016366400000000 ] - [ -0.0002143700000000, -0.0000932000000000, 0.0013012300000000 ] - [ -0.0065416900000000, 0.0044716800000000, 0.0003064900000000 ] - [ -0.0007347700000000, -0.0004210300000000, -0.0035213300000000 ] - [ 0.0001934700000000, 0.0007047600000000, 0.0076619600000000 ] - [ -0.0073211400000000, -0.0004001600000000, -0.0029804600000000 ] - [ 0.0015544000000000, 0.0004779900000000, -0.0000181500000000 ] - [ 0.0028263800000000, -0.0008926100000000, 0.0045292400000000 ] - [ 0.0044599300000000, -0.0045435100000000, -0.0226544400000000 ] - [ -0.0017176200000000, 0.0017578900000000, -0.0026210900000000 ] - [ -0.0022321200000000, 0.0009836600000000, 0.0048231000000000 ] - [ 0.0043772200000000, 0.0065542900000000, -0.0280247300000000 ] - [ -0.0017009400000000, 0.0009885100000000, -0.0027617300000000 ] - [ -0.0012946800000000, 0.0003524100000000, -0.0001710600000000 ] - [ -0.0001119500000000, -0.0005691000000000, 0.0050721100000000 ] - [ 0.0014907400000000, -0.0005578400000000, 0.0074150800000000 ] - [ -0.0017306900000000, -0.0323664200000000, -0.0418347300000000 ] - [ 0.0034510300000000, 0.0005425700000000, -0.0002557400000000 ] - [ 0.0007138100000000, 0.0001043700000000, 0.0012339800000000 ] - [ 0.0015091300000000, 0.0000465700000000, -0.0018614300000000 ] - [ -0.0031214300000000, 0.0003800800000000, 0.0028221300000000 ] - [ 0.0028648200000000, 0.0005892800000000, 0.0015968000000000 ] - [ 0.0007158300000000, 0.0000423100000000, 0.0064859500000000 ] - [ 0.0001253800000000, -0.0002952900000000, 0.0016426700000000 ] - [ -0.0069166500000000, -0.0000342500000000, 0.0090600800000000 ] - [ -0.0023069700000000, 0.0000163200000000, -0.0071185900000000 ] - [ 0.0004188000000000, 0.0008528300000000, 0.0015991600000000 ] - [ -0.0095072100000000, 0.0013178400000000, 0.0045954400000000 ] - [ 0.0003771600000000, -0.0000432600000000, -0.0021676600000000 ] - [ -0.0089621200000000, 0.0156658000000000, -0.0227945300000000 ] - [ -0.0000514500000000, 0.0003178800000000, 0.0031732000000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0117946100000000, -0.0001963200000000, 0.0000831000000000 ] - [ 0.0135783700000000, 0.0008977100000000, -0.0162067200000000 ] - [ 0.0025943900000000, 0.0001189800000000, 0.0074826800000000 ] - [ 0.0025943900000000, -0.0001189800000000, -0.0074826800000000 ] - [ -0.1983711000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0164093000000000, -0.0014942200000000, -0.0018831100000000 ] - [ 0.0499336500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0117946100000000, 0.0001963200000000, -0.0000831000000000 ] - [ 0.0048416100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0135783700000000, -0.0008977100000000, 0.0162067200000000 ] - [ -0.0164093000000000, 0.0014942200000000, 0.0018831100000000 ] - [ 0.0021043500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0254858400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0015953900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0035410900000000, -0.0008775000000000, 0.0019769500000000 ] - [ 0.0039894900000000, 0.0004520500000000, 0.0022038300000000 ] - [ -0.0040168600000000, 0.0152867900000000, -0.0276426600000000 ] - [ -0.0275510500000000, -0.0038637700000000, 0.0195555100000000 ] - [ 0.0089427700000000, -0.0008029800000000, 0.0023942400000000 ] - [ 0.0115448200000000, 0.0003553900000000, -0.0026048300000000 ] - [ -0.0053201000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0039894900000000, -0.0004520500000000, -0.0022038300000000 ] - [ -0.0031167200000000, -0.0017431100000000, 0.0045196600000000 ] - [ -0.0040168600000000, -0.0152867900000000, 0.0276426600000000 ] - [ 0.0012364300000000, -0.0004709500000000, 0.0040158900000000 ] - [ 0.0035410900000000, 0.0008775000000000, -0.0019769500000000 ] - [ 0.0089427700000000, 0.0008029800000000, -0.0023942400000000 ] - [ 0.0115448200000000, -0.0003553900000000, 0.0026048300000000 ] - [ -0.0031167200000000, 0.0017431100000000, -0.0045196600000000 ] - [ 0.0012364300000000, 0.0004709500000000, -0.0040158900000000 ] - [ 0.0099906300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0275510500000000, 0.0038637700000000, -0.0195555100000000 ] - [ -0.0074597000000000, 0.0015457600000000, 0.0004405300000000 ] - [ -0.0018601500000000, 0.0007326900000000, 0.0012678000000000 ] - [ -0.0113547800000000, -0.0009326000000000, -0.0063434500000000 ] - [ -0.0019856600000000, -0.0001296200000000, 0.0003156100000000 ] - [ 0.0040681000000000, -0.0016359200000000, 0.0079023200000000 ] - [ -0.0003107000000000, -0.0010698200000000, 0.0014174200000000 ] - [ 0.0175723200000000, -0.0075917400000000, 0.0051667600000000 ] - [ 0.0343347900000000, -0.0145789400000000, 0.0062857100000000 ] - [ -0.0076526200000000, 0.0003044700000000, -0.0019328500000000 ] - [ -0.0026402900000000, 0.0001407400000000, 0.0009457400000000 ] - [ -0.0047510900000000, -0.0011657700000000, 0.0036591700000000 ] - [ 0.0175723200000000, 0.0075917400000000, -0.0051667600000000 ] - [ -0.0019856600000000, 0.0001296200000000, -0.0003156100000000 ] - [ 0.0006842300000000, -0.0000331400000000, 0.0033707100000000 ] - [ -0.0025994300000000, 0.0002829000000000, 0.0007729500000000 ] - [ 0.0039478600000000, -0.0001168700000000, 0.0122444600000000 ] - [ -0.0078647900000000, -0.0007301900000000, 0.0016283700000000 ] - [ 0.0025248100000000, -0.0001511400000000, 0.0022196400000000 ] - [ 0.0287055000000000, 0.0036798100000000, -0.0029965200000000 ] - [ -0.0038966400000000, 0.0004184400000000, 0.0000424100000000 ] - [ 0.0040681000000000, 0.0016359200000000, -0.0079023200000000 ] - [ -0.0047510900000000, 0.0011657700000000, -0.0036591700000000 ] - [ -0.0018601500000000, -0.0007326900000000, -0.0012678000000000 ] - [ 0.0044271700000000, 0.0001703200000000, 0.0016961300000000 ] - [ -0.0003107000000000, 0.0010698200000000, -0.0014174200000000 ] - [ -0.0072735600000000, -0.0000877400000000, 0.0048645300000000 ] - [ 0.0343347900000000, 0.0145789400000000, -0.0062857100000000 ] - [ -0.0072735600000000, 0.0000877400000000, -0.0048645300000000 ] - [ -0.0050381000000000, 0.0005659800000000, -0.0025134600000000 ] - [ 0.0006842300000000, 0.0000331400000000, -0.0033707100000000 ] - [ 0.0025248100000000, 0.0001511400000000, -0.0022196400000000 ] - [ -0.0038966400000000, -0.0004184400000000, -0.0000424100000000 ] - [ -0.0050381000000000, -0.0005659800000000, 0.0025134600000000 ] - [ -0.0076526200000000, -0.0003044700000000, 0.0019328500000000 ] - [ 0.0042011500000000, -0.0014193000000000, 0.0015064100000000 ] - [ 0.0195148000000000, 0.0027463600000000, 0.0035941900000000 ] - [ 0.0195148000000000, -0.0027463600000000, -0.0035941900000000 ] - [ -0.0065514000000000, 0.0006399000000000, -0.0065167000000000 ] - [ -0.0113547800000000, 0.0009326000000000, 0.0063434500000000 ] - [ -0.0026402900000000, -0.0001407400000000, -0.0009457400000000 ] - [ 0.0044271700000000, -0.0001703200000000, -0.0016961300000000 ] - [ -0.0074597000000000, -0.0015457600000000, -0.0004405300000000 ] - [ -0.0065514000000000, -0.0006399000000000, 0.0065167000000000 ] - [ 0.0042011500000000, 0.0014193000000000, -0.0015064100000000 ] - [ -0.0025994300000000, -0.0002829000000000, -0.0007729500000000 ] - [ 0.0287055000000000, -0.0036798100000000, 0.0029965200000000 ] - [ -0.0078647900000000, 0.0007301900000000, -0.0016283700000000 ] - [ 0.0039478600000000, 0.0001168700000000, -0.0122444600000000 ]- atom: 5 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0122267000000000, -0.0000706800000000, -0.0001003100000000 ] - [ -0.0131878600000000, -0.0006107100000000, 0.0161035100000000 ] - [ -0.0021589600000000, 0.0001501800000000, -0.0075662700000000 ] - [ -0.0021589600000000, -0.0001501800000000, 0.0075662700000000 ] - [ 0.1991031600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0160482900000000, 0.0017577100000000, 0.0019405800000000 ] - [ -0.0497626400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0122267000000000, 0.0000706800000000, 0.0001003100000000 ] - [ -0.0057324400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0131878600000000, 0.0006107100000000, -0.0161035100000000 ] - [ 0.0160482900000000, -0.0017577100000000, -0.0019405800000000 ] - [ -0.0012581900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0252401700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0014124600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0035617200000000, 0.0007630700000000, -0.0023202500000000 ] - [ -0.0040992700000000, -0.0002243100000000, -0.0019514500000000 ] - [ 0.0041151400000000, -0.0155564800000000, 0.0281664500000000 ] - [ 0.0272714900000000, 0.0037113000000000, -0.0192626400000000 ] - [ -0.0088618900000000, 0.0010504000000000, -0.0026838200000000 ] - [ -0.0115443000000000, -0.0007168200000000, 0.0027010500000000 ] - [ 0.0051581600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0040992700000000, 0.0002243100000000, 0.0019514500000000 ] - [ 0.0031425500000000, 0.0013915500000000, -0.0046468200000000 ] - [ 0.0041151400000000, 0.0155564800000000, -0.0281664500000000 ] - [ -0.0011557900000000, 0.0002482400000000, -0.0042988700000000 ] - [ -0.0035617200000000, -0.0007630700000000, 0.0023202500000000 ] - [ -0.0088618900000000, -0.0010504000000000, 0.0026838200000000 ] - [ -0.0115443000000000, 0.0007168200000000, -0.0027010500000000 ] - [ 0.0031425500000000, -0.0013915500000000, 0.0046468200000000 ] - [ -0.0011557900000000, -0.0002482400000000, 0.0042988700000000 ] - [ -0.0101858500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0272714900000000, -0.0037113000000000, 0.0192626400000000 ] - [ 0.0076815300000000, -0.0016393400000000, -0.0001688200000000 ] - [ 0.0014497100000000, -0.0006235000000000, -0.0016794900000000 ] - [ 0.0111166100000000, 0.0006983300000000, 0.0065722400000000 ] - [ 0.0017801700000000, 0.0000473600000000, -0.0006046600000000 ] - [ -0.0040221900000000, 0.0020115700000000, -0.0079149300000000 ] - [ 0.0000475900000000, 0.0008068100000000, -0.0016810900000000 ] - [ -0.0169751300000000, 0.0070047700000000, -0.0057214700000000 ] - [ -0.0357415400000000, 0.0154689700000000, -0.0070806100000000 ] - [ 0.0079119100000000, -0.0000346400000000, 0.0016812200000000 ] - [ 0.0027560200000000, -0.0001154500000000, -0.0010445900000000 ] - [ 0.0047580800000000, 0.0008488600000000, -0.0036840300000000 ] - [ -0.0169751300000000, -0.0070047700000000, 0.0057214700000000 ] - [ 0.0017801700000000, -0.0000473600000000, 0.0006046600000000 ] - [ -0.0007744100000000, 0.0000050700000000, -0.0033003200000000 ] - [ 0.0026156500000000, -0.0005266900000000, -0.0008970800000000 ] - [ -0.0039945900000000, 0.0004054900000000, -0.0124334800000000 ] - [ 0.0078764500000000, 0.0010982000000000, -0.0015900500000000 ] - [ -0.0023175900000000, 0.0002324000000000, -0.0019416000000000 ] - [ -0.0283730100000000, -0.0037201800000000, 0.0033203300000000 ] - [ 0.0043422700000000, -0.0005296600000000, 0.0003643400000000 ] - [ -0.0040221900000000, -0.0020115700000000, 0.0079149300000000 ] - [ 0.0047580800000000, -0.0008488600000000, 0.0036840300000000 ] - [ 0.0014497100000000, 0.0006235000000000, 0.0016794900000000 ] - [ -0.0041923200000000, -0.0004499700000000, -0.0019586200000000 ] - [ 0.0000475900000000, -0.0008068100000000, 0.0016810900000000 ] - [ 0.0071895300000000, 0.0001135700000000, -0.0048194500000000 ] - [ -0.0357415400000000, -0.0154689700000000, 0.0070806100000000 ] - [ 0.0071895300000000, -0.0001135700000000, 0.0048194500000000 ] - [ 0.0050479300000000, -0.0003065100000000, 0.0026452400000000 ] - [ -0.0007744100000000, -0.0000050700000000, 0.0033003200000000 ] - [ -0.0023175900000000, -0.0002324000000000, 0.0019416000000000 ] - [ 0.0043422700000000, 0.0005296600000000, -0.0003643400000000 ] - [ 0.0050479300000000, 0.0003065100000000, -0.0026452400000000 ] - [ 0.0079119100000000, 0.0000346400000000, -0.0016812200000000 ] - [ -0.0042369100000000, 0.0010506600000000, -0.0014823300000000 ] - [ -0.0191549300000000, -0.0025908400000000, -0.0039957700000000 ] - [ -0.0191549300000000, 0.0025908400000000, 0.0039957700000000 ] - [ 0.0060934000000000, -0.0004851100000000, 0.0069660900000000 ] - [ 0.0111166100000000, -0.0006983300000000, -0.0065722400000000 ] - [ 0.0027560200000000, 0.0001154500000000, 0.0010445900000000 ] - [ -0.0041923200000000, 0.0004499700000000, 0.0019586200000000 ] - [ 0.0076815300000000, 0.0016393400000000, 0.0001688200000000 ] - [ 0.0060934000000000, 0.0004851100000000, -0.0069660900000000 ] - [ -0.0042369100000000, -0.0010506600000000, 0.0014823300000000 ] - [ 0.0026156500000000, 0.0005266900000000, 0.0008970800000000 ] - [ -0.0283730100000000, 0.0037201800000000, -0.0033203300000000 ] - [ 0.0078764500000000, -0.0010982000000000, 0.0015900500000000 ] - [ -0.0039945900000000, -0.0004054900000000, 0.0124334800000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001809100000000, -0.0002965300000000, -0.0000122800000000 ] - [ 0.0022002100000000, -0.0054077900000000, 0.0015602500000000 ] - [ -0.0002138300000000, -0.0005510500000000, -0.0009794600000000 ] - [ 0.0006205900000000, -0.0008088700000000, -0.0009266700000000 ] - [ -0.0004450900000000, -0.1123818700000000, 0.0204387400000000 ] - [ -0.0019447200000000, -0.0053145800000000, -0.0010886500000000 ] - [ 0.0004967500000000, -0.0112320500000000, 0.0071971800000000 ] - [ -0.0005951900000000, -0.0000428500000000, 0.0000488300000000 ] - [ -0.0004406100000000, -0.0000334800000000, -0.0002146200000000 ] - [ -0.0018147500000000, -0.0056777200000000, 0.0014732700000000 ] - [ 0.0015426700000000, -0.0055973800000000, -0.0010578700000000 ] - [ 0.0004390400000000, -0.0003006600000000, -0.0004205400000000 ] - [ 0.0001372600000000, 0.0175269400000000, -0.0085478500000000 ] - [ 0.0000812000000000, 0.0002524400000000, -0.0004112800000000 ] - [ 0.0000526500000000, 0.0000324900000000, -0.0002535800000000 ] - [ -0.0001308200000000, 0.0001913700000000, 0.0000177300000000 ] - [ -0.0051869700000000, 0.0221561700000000, -0.0080120800000000 ] - [ 0.0041427800000000, 0.0297330100000000, 0.0082797100000000 ] - [ -0.0000702200000000, 0.0010983700000000, -0.0003035600000000 ] - [ 0.0000895700000000, 0.0001094000000000, -0.0001363200000000 ] - [ -0.0000787600000000, 0.0003528800000000, -0.0003612900000000 ] - [ 0.0000306600000000, -0.0000361900000000, -0.0002561300000000 ] - [ 0.0002056700000000, 0.0006891700000000, -0.0006438900000000 ] - [ 0.0050577500000000, 0.0221908300000000, -0.0084405900000000 ] - [ 0.0003756000000000, 0.0011350500000000, 0.0005644700000000 ] - [ -0.0000529400000000, 0.0001424100000000, 0.0001027600000000 ] - [ 0.0001648300000000, 0.0008751000000000, -0.0000348000000000 ] - [ -0.0000937300000000, 0.0004772900000000, -0.0002573400000000 ] - [ -0.0002076800000000, 0.0010619200000000, -0.0005257700000000 ] - [ -0.0002718300000000, 0.0013559000000000, 0.0008299100000000 ] - [ -0.0000806100000000, 0.0000429300000000, 0.0004563200000000 ] - [ -0.0040611100000000, 0.0298959400000000, 0.0077229100000000 ] - [ -0.0000308600000000, 0.0000115100000000, 0.0000926600000000 ] - [ 0.0000755500000000, -0.0000053300000000, -0.0003682500000000 ] - [ 0.0003698100000000, -0.0028761600000000, 0.0010460400000000 ] - [ -0.0001090000000000, -0.0000477900000000, 0.0000426000000000 ] - [ 0.0013684100000000, -0.0012467400000000, -0.0031665800000000 ] - [ -0.0004074400000000, -0.0002841500000000, 0.0003965500000000 ] - [ -0.0042602600000000, 0.0041718500000000, 0.0020911800000000 ] - [ -0.0140961800000000, 0.0130560200000000, -0.0090252500000000 ] - [ 0.0000699500000000, 0.0001602400000000, -0.0002358100000000 ] - [ -0.0000465300000000, -0.0000041500000000, 0.0000819300000000 ] - [ 0.0000500700000000, -0.0001837500000000, 0.0000170200000000 ] - [ 0.0045336800000000, 0.0045174100000000, 0.0025657300000000 ] - [ -0.0000844400000000, 0.0000421500000000, 0.0003179700000000 ] - [ -0.0007321000000000, -0.0003273000000000, 0.0011448900000000 ] - [ -0.0000114400000000, -0.0000848200000000, 0.0000325900000000 ] - [ 0.0009606400000000, -0.0027587400000000, 0.0028966700000000 ] - [ 0.0001351900000000, 0.0003900100000000, -0.0004446800000000 ] - [ -0.0000521900000000, 0.0001235500000000, -0.0000284500000000 ] - [ -0.0009053400000000, -0.0016827700000000, -0.0004101000000000 ] - [ 0.0001422600000000, -0.0000517300000000, 0.0002442700000000 ] - [ -0.0013819700000000, -0.0016091300000000, -0.0031770600000000 ] - [ -0.0000494000000000, 0.0001586500000000, 0.0000177300000000 ] - [ -0.0004933500000000, -0.0000841500000000, 0.0000339500000000 ] - [ 0.0005022800000000, -0.0002464100000000, 0.0002924900000000 ] - [ 0.0001620000000000, -0.0000032600000000, 0.0006612800000000 ] - [ -0.0013932500000000, 0.0000641300000000, -0.0001202000000000 ] - [ 0.0134320300000000, 0.0129521300000000, -0.0087362700000000 ] - [ 0.0012825200000000, 0.0000345600000000, -0.0002097700000000 ] - [ -0.0001144100000000, 0.0001898600000000, 0.0002788700000000 ] - [ 0.0006303100000000, -0.0002940600000000, 0.0010615200000000 ] - [ 0.0002472400000000, 0.0000318800000000, -0.0003034100000000 ] - [ 0.0002695100000000, 0.0000269100000000, -0.0001600600000000 ] - [ 0.0001117900000000, -0.0000434700000000, 0.0001256000000000 ] - [ 0.0001699500000000, -0.0001211700000000, 0.0000230400000000 ] - [ -0.0000390500000000, -0.0000492200000000, -0.0005505000000000 ] - [ 0.0017754000000000, 0.0026041500000000, -0.0029111400000000 ] - [ -0.0015225700000000, 0.0025016300000000, -0.0025771600000000 ] - [ -0.0010149700000000, -0.0020992800000000, 0.0002700700000000 ] - [ -0.0006047900000000, -0.0026108200000000, 0.0007938700000000 ] - [ 0.0001474600000000, -0.0000377000000000, 0.0001673800000000 ] - [ -0.0002493400000000, 0.0000355000000000, 0.0005589600000000 ] - [ 0.0002266400000000, 0.0001060300000000, -0.0001824700000000 ] - [ 0.0006195300000000, -0.0022004700000000, -0.0001295500000000 ] - [ 0.0000458000000000, 0.0003229500000000, -0.0005477000000000 ] - [ 0.0000101000000000, 0.0001425300000000, 0.0001354000000000 ] - [ 0.0012292300000000, -0.0013460600000000, -0.0005021100000000 ] - [ -0.0001364100000000, 0.0000118400000000, -0.0004549900000000 ] - [ -0.0009613600000000, -0.0029954300000000, 0.0030437100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002280700000000, -0.0003154100000000, -0.0008267000000000 ] - [ -0.0192476900000000, 0.0017474800000000, 0.0025068000000000 ] - [ 0.0075783400000000, 0.0001932900000000, 0.0046185200000000 ] - [ -0.0072009800000000, -0.0000635400000000, 0.0046477300000000 ] - [ -0.0007607600000000, 0.0204444300000000, -0.1795207100000000 ] - [ 0.0016917200000000, -0.0003456300000000, 0.0277313900000000 ] - [ 0.0005388200000000, 0.0071975000000000, -0.0247301700000000 ] - [ -0.0006293400000000, -0.0000566000000000, -0.0007449400000000 ] - [ -0.0004394800000000, 0.0002156800000000, 0.0054252300000000 ] - [ 0.0197666800000000, 0.0015152200000000, 0.0023990500000000 ] - [ -0.0021194300000000, -0.0005965500000000, 0.0280300500000000 ] - [ 0.0004546000000000, 0.0004207200000000, 0.0110139900000000 ] - [ 0.0000460500000000, 0.0084163400000000, -0.0263661500000000 ] - [ 0.0000749000000000, -0.0017643600000000, 0.0071931000000000 ] - [ 0.0022436400000000, 0.0013973900000000, 0.0026417000000000 ] - [ 0.0000712600000000, 0.0000205900000000, 0.0024261200000000 ] - [ -0.0243576500000000, 0.0014590700000000, 0.0071821900000000 ] - [ 0.0205679100000000, -0.0083261500000000, 0.0073315200000000 ] - [ 0.0062630700000000, 0.0005464500000000, -0.0014059700000000 ] - [ -0.0023757000000000, 0.0010016900000000, -0.0013452900000000 ] - [ -0.0000797200000000, -0.0007562400000000, 0.0121459400000000 ] - [ -0.0001711300000000, -0.0002151500000000, 0.0021456100000000 ] - [ 0.0014991700000000, 0.0005769100000000, 0.0086934900000000 ] - [ 0.0241902700000000, 0.0015129700000000, 0.0069356400000000 ] - [ 0.0035307400000000, -0.0004474200000000, 0.0094845800000000 ] - [ -0.0022287600000000, 0.0015071600000000, 0.0030110600000000 ] - [ -0.0061505300000000, 0.0003178800000000, -0.0011605400000000 ] - [ 0.0023669000000000, 0.0013860200000000, -0.0014821900000000 ] - [ -0.0015178200000000, 0.0009639200000000, 0.0088167000000000 ] - [ -0.0034055200000000, -0.0002097300000000, 0.0097371400000000 ] - [ -0.0000734000000000, 0.0004072100000000, -0.0061490200000000 ] - [ -0.0205104300000000, -0.0080065100000000, 0.0071278200000000 ] - [ 0.0022703400000000, -0.0000361800000000, 0.0035415600000000 ] - [ 0.0031584900000000, 0.0002044600000000, -0.0035587300000000 ] - [ -0.0026057800000000, 0.0006360800000000, 0.0066350000000000 ] - [ -0.0000381100000000, -0.0002023300000000, -0.0032547600000000 ] - [ 0.0075796300000000, 0.0029368700000000, -0.0090755000000000 ] - [ 0.0030874200000000, 0.0006496500000000, -0.0061256500000000 ] - [ 0.0040581400000000, 0.0039850400000000, 0.0238130000000000 ] - [ 0.0012486900000000, -0.0146405300000000, 0.0263281800000000 ] - [ 0.0019093000000000, 0.0001861000000000, 0.0029976500000000 ] - [ 0.0009776600000000, 0.0001399600000000, -0.0018796000000000 ] - [ 0.0020985200000000, -0.0006981300000000, -0.0011553200000000 ] - [ -0.0040501000000000, 0.0041142500000000, 0.0242130100000000 ] - [ -0.0001500900000000, -0.0001057900000000, -0.0029883000000000 ] - [ 0.0032418800000000, -0.0000352700000000, -0.0067985700000000 ] - [ 0.0005981100000000, -0.0017169400000000, -0.0031450400000000 ] - [ 0.0055716000000000, -0.0014989100000000, -0.0082903900000000 ] - [ 0.0036132000000000, -0.0016283200000000, 0.0019313100000000 ] - [ -0.0000990300000000, -0.0005588400000000, -0.0074654200000000 ] - [ -0.0026313200000000, 0.0028411400000000, 0.0075588800000000 ] - [ -0.0002704300000000, 0.0003380400000000, -0.0014214200000000 ] - [ -0.0076117300000000, 0.0025699800000000, -0.0090566600000000 ] - [ -0.0021029500000000, -0.0003456200000000, -0.0011717200000000 ] - [ -0.0035988200000000, 0.0001070700000000, -0.0031465500000000 ] - [ -0.0012716200000000, 0.0029200200000000, -0.0085243500000000 ] - [ -0.0033136300000000, 0.0009135700000000, -0.0058561300000000 ] - [ 0.0028323400000000, -0.0011306100000000, 0.0022303300000000 ] - [ -0.0017030800000000, -0.0147874000000000, 0.0265101200000000 ] - [ -0.0029600300000000, -0.0011503100000000, 0.0021124700000000 ] - [ -0.0021062100000000, 0.0010455100000000, -0.0006001800000000 ] - [ -0.0033676200000000, -0.0000120100000000, -0.0068917600000000 ] - [ 0.0002821100000000, -0.0006584400000000, -0.0077367800000000 ] - [ 0.0006834800000000, 0.0004342200000000, -0.0018366100000000 ] - [ 0.0021002400000000, 0.0007998800000000, -0.0007526200000000 ] - [ -0.0016772000000000, -0.0000720700000000, 0.0032678600000000 ] - [ 0.0040616300000000, -0.0014699100000000, -0.0046152300000000 ] - [ 0.0005264000000000, -0.0093586000000000, 0.0192585700000000 ] - [ 0.0001400700000000, -0.0100259200000000, 0.0204833900000000 ] - [ -0.0101372400000000, 0.0021107800000000, 0.0019667700000000 ] - [ 0.0023928200000000, 0.0008576900000000, 0.0063392500000000 ] - [ -0.0008720000000000, 0.0001162200000000, -0.0018006100000000 ] - [ 0.0015267400000000, 0.0031704600000000, -0.0082535700000000 ] - [ -0.0020919400000000, 0.0000567600000000, 0.0032627300000000 ] - [ 0.0097257500000000, 0.0019657400000000, 0.0016059300000000 ] - [ -0.0040264000000000, -0.0011013700000000, -0.0046354700000000 ] - [ -0.0006100400000000, -0.0014908800000000, -0.0030470700000000 ] - [ 0.0029309000000000, 0.0032474700000000, 0.0077857500000000 ] - [ -0.0036215900000000, -0.0020043800000000, 0.0019155900000000 ] - [ -0.0055422800000000, -0.0017628200000000, -0.0081870000000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0089096200000000, 0.0001750300000000, 0.0046845100000000 ] - [ -0.0311865300000000, -0.0124913100000000, -0.0073826000000000 ] - [ 0.0060339600000000, 0.0001642500000000, 0.0000905500000000 ] - [ 0.0060339600000000, -0.0001642500000000, -0.0000905500000000 ] - [ 0.0249064300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0010028000000000, -0.0003534200000000, 0.0062927200000000 ] - [ 0.0105304400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0089096200000000, -0.0001750300000000, -0.0046845100000000 ] - [ 0.0010634800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0311865300000000, 0.0124913100000000, 0.0073826000000000 ] - [ 0.0010028000000000, 0.0003534200000000, -0.0062927200000000 ] - [ -0.0048052300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.3127244700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0031863000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0017125300000000, -0.0023138900000000, 0.0051349400000000 ] - [ 0.0022244500000000, 0.0004825300000000, -0.0005032500000000 ] - [ 0.0067093300000000, -0.0004930000000000, -0.0026226100000000 ] - [ 0.0166029900000000, -0.0051948900000000, -0.0289396100000000 ] - [ 0.0054336000000000, 0.0001386000000000, -0.0008401000000000 ] - [ 0.0280089300000000, -0.0016739200000000, -0.0209266700000000 ] - [ -0.0011638100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0022244500000000, -0.0004825300000000, 0.0005032500000000 ] - [ 0.0018349100000000, -0.0000919100000000, 0.0016893700000000 ] - [ 0.0067093300000000, 0.0004930000000000, 0.0026226100000000 ] - [ -0.0066100700000000, -0.0014244800000000, -0.0032342500000000 ] - [ -0.0017125300000000, 0.0023138900000000, -0.0051349400000000 ] - [ 0.0054336000000000, -0.0001386000000000, 0.0008401000000000 ] - [ 0.0280089300000000, 0.0016739200000000, 0.0209266700000000 ] - [ 0.0018349100000000, 0.0000919100000000, -0.0016893700000000 ] - [ -0.0066100700000000, 0.0014244800000000, 0.0032342500000000 ] - [ 0.0087133900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0166029900000000, 0.0051948900000000, 0.0289396100000000 ] - [ -0.0051907300000000, 0.0006903200000000, -0.0010000100000000 ] - [ 0.0041038600000000, 0.0002298500000000, 0.0014120500000000 ] - [ 0.0781541400000000, 0.0184131200000000, 0.0265840600000000 ] - [ -0.0022078300000000, -0.0000042000000000, -0.0006511800000000 ] - [ 0.0069759300000000, 0.0015910000000000, -0.0131825900000000 ] - [ -0.0023519400000000, -0.0000237000000000, 0.0007778800000000 ] - [ 0.0569788100000000, -0.0153377600000000, 0.0121438700000000 ] - [ -0.0066186400000000, 0.0008326700000000, -0.0018242900000000 ] - [ -0.0068335200000000, 0.0008964900000000, 0.0008275900000000 ] - [ -0.0019604900000000, 0.0002389900000000, -0.0010557600000000 ] - [ -0.0030253800000000, -0.0005087300000000, -0.0002715400000000 ] - [ 0.0569788100000000, 0.0153377600000000, -0.0121438700000000 ] - [ -0.0022078300000000, 0.0000042000000000, 0.0006511800000000 ] - [ 0.0034144300000000, -0.0009959000000000, -0.0007383600000000 ] - [ 0.0012889100000000, 0.0007133100000000, 0.0019836000000000 ] - [ -0.0025100100000000, 0.0007778200000000, 0.0024084700000000 ] - [ -0.0041798700000000, -0.0066286900000000, 0.0076080800000000 ] - [ 0.0020525400000000, 0.0001635100000000, -0.0014500800000000 ] - [ -0.0061636400000000, -0.0009797500000000, -0.0041740100000000 ] - [ -0.0010948700000000, -0.0000274500000000, -0.0014606800000000 ] - [ 0.0069759300000000, -0.0015910000000000, 0.0131825900000000 ] - [ -0.0030253800000000, 0.0005087300000000, 0.0002715400000000 ] - [ 0.0041038600000000, -0.0002298500000000, -0.0014120500000000 ] - [ 0.0000166500000000, -0.0008090700000000, 0.0006833100000000 ] - [ -0.0023519400000000, 0.0000237000000000, -0.0007778800000000 ] - [ -0.0042445900000000, 0.0000908000000000, 0.0003311300000000 ] - [ -0.0066186400000000, -0.0008326700000000, 0.0018242900000000 ] - [ -0.0042445900000000, -0.0000908000000000, -0.0003311300000000 ] - [ -0.0026578600000000, -0.0019393000000000, -0.0097221700000000 ] - [ 0.0034144300000000, 0.0009959000000000, 0.0007383600000000 ] - [ 0.0020525400000000, -0.0001635100000000, 0.0014500800000000 ] - [ -0.0010948700000000, 0.0000274500000000, 0.0014606800000000 ] - [ -0.0026578600000000, 0.0019393000000000, 0.0097221700000000 ] - [ -0.0068335200000000, -0.0008964900000000, -0.0008275900000000 ] - [ -0.0025026300000000, -0.0001286800000000, 0.0006945100000000 ] - [ 0.0021585000000000, -0.0035253800000000, -0.0106119100000000 ] - [ 0.0021585000000000, 0.0035253800000000, 0.0106119100000000 ] - [ -0.0057065100000000, 0.0005041300000000, -0.0002749700000000 ] - [ 0.0781541400000000, -0.0184131200000000, -0.0265840600000000 ] - [ -0.0019604900000000, -0.0002389900000000, 0.0010557600000000 ] - [ 0.0000166500000000, 0.0008090700000000, -0.0006833100000000 ] - [ -0.0051907300000000, -0.0006903200000000, 0.0010000100000000 ] - [ -0.0057065100000000, -0.0005041300000000, 0.0002749700000000 ] - [ -0.0025026300000000, 0.0001286800000000, -0.0006945100000000 ] - [ 0.0012889100000000, -0.0007133100000000, -0.0019836000000000 ] - [ -0.0061636400000000, 0.0009797500000000, 0.0041740100000000 ] - [ -0.0041798700000000, 0.0066286900000000, -0.0076080800000000 ] - [ -0.0025100100000000, -0.0007778200000000, -0.0024084700000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0093172300000000, -0.0004442000000000, -0.0047035400000000 ] - [ 0.0315709600000000, 0.0127660600000000, 0.0074984700000000 ] - [ -0.0056233500000000, 0.0001015200000000, -0.0001417500000000 ] - [ -0.0056233500000000, -0.0001015200000000, 0.0001417500000000 ] - [ -0.0258190800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0013971500000000, 0.0006150100000000, -0.0063379700000000 ] - [ -0.0096505400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0093172300000000, 0.0004442000000000, 0.0047035400000000 ] - [ -0.0019471300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0315709600000000, -0.0127660600000000, -0.0074984700000000 ] - [ -0.0013971500000000, -0.0006150100000000, 0.0063379700000000 ] - [ 0.0056776800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.3131824500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0030207700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0017092500000000, 0.0022334100000000, -0.0054887000000000 ] - [ -0.0023170600000000, -0.0002682100000000, 0.0007699200000000 ] - [ -0.0067054800000000, 0.0003901000000000, 0.0029784000000000 ] - [ -0.0167781900000000, 0.0048343700000000, 0.0294262500000000 ] - [ -0.0053384500000000, 0.0000793700000000, 0.0005637500000000 ] - [ -0.0278316100000000, 0.0011638500000000, 0.0207168900000000 ] - [ 0.0010060100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0023170600000000, 0.0002682100000000, -0.0007699200000000 ] - [ -0.0018319900000000, -0.0002615800000000, -0.0018176800000000 ] - [ -0.0067054800000000, -0.0003901000000000, -0.0029784000000000 ] - [ 0.0067031800000000, 0.0012146000000000, 0.0029618300000000 ] - [ 0.0017092500000000, -0.0022334100000000, 0.0054887000000000 ] - [ -0.0053384500000000, -0.0000793700000000, -0.0005637500000000 ] - [ -0.0278316100000000, -0.0011638500000000, -0.0207168900000000 ] - [ -0.0018319900000000, 0.0002615800000000, 0.0018176800000000 ] - [ 0.0067031800000000, -0.0012146000000000, -0.0029618300000000 ] - [ -0.0088434200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0167781900000000, -0.0048343700000000, -0.0294262500000000 ] - [ 0.0053692100000000, -0.0007595200000000, 0.0012755500000000 ] - [ -0.0045460100000000, -0.0001751600000000, -0.0018166300000000 ] - [ -0.0764483400000000, -0.0168167900000000, -0.0239815200000000 ] - [ 0.0020164100000000, -0.0000612400000000, 0.0003694500000000 ] - [ -0.0069702200000000, -0.0012995500000000, 0.0131882800000000 ] - [ 0.0021094400000000, -0.0002636100000000, -0.0010271100000000 ] - [ -0.0592987200000000, 0.0174067300000000, -0.0143373000000000 ] - [ 0.0066233200000000, -0.0010889900000000, 0.0019649900000000 ] - [ 0.0070536400000000, -0.0005938800000000, -0.0010404700000000 ] - [ 0.0020708600000000, -0.0002010300000000, 0.0009627400000000 ] - [ 0.0030218900000000, 0.0001956000000000, 0.0002665700000000 ] - [ -0.0592987200000000, -0.0174067300000000, 0.0143373000000000 ] - [ 0.0020164100000000, 0.0000612400000000, -0.0003694500000000 ] - [ -0.0035303000000000, 0.0009611100000000, 0.0008213200000000 ] - [ -0.0012888000000000, -0.0009688500000000, -0.0021237500000000 ] - [ 0.0025083400000000, -0.0005585600000000, -0.0025463100000000 ] - [ 0.0041918900000000, 0.0070222500000000, -0.0075397600000000 ] - [ -0.0018642000000000, -0.0000938300000000, 0.0017275800000000 ] - [ 0.0065500900000000, 0.0010027600000000, 0.0045763600000000 ] - [ 0.0015421200000000, -0.0000327600000000, 0.0018614200000000 ] - [ -0.0069702200000000, 0.0012995500000000, -0.0131882800000000 ] - [ 0.0030218900000000, -0.0001956000000000, -0.0002665700000000 ] - [ -0.0045460100000000, 0.0001751600000000, 0.0018166300000000 ] - [ 0.0002272200000000, 0.0005195200000000, -0.0009318600000000 ] - [ 0.0021094400000000, 0.0002636100000000, 0.0010271100000000 ] - [ 0.0041259800000000, -0.0000578300000000, -0.0002459100000000 ] - [ 0.0066233200000000, 0.0010889900000000, -0.0019649900000000 ] - [ 0.0041259800000000, 0.0000578300000000, 0.0002459100000000 ] - [ 0.0026977000000000, 0.0021296900000000, 0.0099366500000000 ] - [ -0.0035303000000000, -0.0009611100000000, -0.0008213200000000 ] - [ -0.0018642000000000, 0.0000938300000000, -0.0017275800000000 ] - [ 0.0015421200000000, 0.0000327600000000, -0.0018614200000000 ] - [ 0.0026977000000000, -0.0021296900000000, -0.0099366500000000 ] - [ 0.0070536400000000, 0.0005938800000000, 0.0010404700000000 ] - [ 0.0025017800000000, -0.0002831000000000, -0.0006705600000000 ] - [ -0.0020547800000000, 0.0035219400000000, 0.0105479800000000 ] - [ -0.0020547800000000, -0.0035219400000000, -0.0105479800000000 ] - [ 0.0052559900000000, -0.0004472200000000, 0.0006816500000000 ] - [ -0.0764483400000000, 0.0168167900000000, 0.0239815200000000 ] - [ 0.0020708600000000, 0.0002010300000000, -0.0009627400000000 ] - [ 0.0002272200000000, -0.0005195200000000, 0.0009318600000000 ] - [ 0.0053692100000000, 0.0007595200000000, -0.0012755500000000 ] - [ 0.0052559900000000, 0.0004472200000000, -0.0006816500000000 ] - [ 0.0025017800000000, 0.0002831000000000, 0.0006705600000000 ] - [ -0.0012888000000000, 0.0009688500000000, 0.0021237500000000 ] - [ 0.0065500900000000, -0.0010027600000000, -0.0045763600000000 ] - [ 0.0041918900000000, -0.0070222500000000, 0.0075397600000000 ] - [ 0.0025083400000000, 0.0005585600000000, 0.0025463100000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0026854500000000, 0.0017736900000000, 0.0006158300000000 ] - [ 0.0107553200000000, 0.0222135700000000, 0.0031170400000000 ] - [ -0.0012115100000000, 0.0002332200000000, -0.0000274300000000 ] - [ 0.0016236800000000, -0.0000329400000000, 0.0000218700000000 ] - [ -0.0004684600000000, 0.0175272500000000, 0.0084161600000000 ] - [ -0.0005213100000000, 0.0019830700000000, -0.0018115900000000 ] - [ 0.0004463500000000, 0.0000449600000000, 0.0004082000000000 ] - [ -0.0030837900000000, 0.0020479900000000, 0.0006481000000000 ] - [ -0.0004416900000000, 0.0002539600000000, 0.0017624500000000 ] - [ -0.0103398600000000, 0.0219275500000000, 0.0032400000000000 ] - [ 0.0001190500000000, 0.0017230300000000, -0.0017703600000000 ] - [ 0.0004392100000000, 0.0003541900000000, 0.0007553000000000 ] - [ 0.0004874100000000, -0.2810431800000000, -0.0348326600000000 ] - [ 0.0000816900000000, 0.0003251200000000, 0.0000816900000000 ] - [ -0.0007593000000000, -0.0021746100000000, 0.0037316800000000 ] - [ -0.0008455100000000, -0.0000885200000000, 0.0004928500000000 ] - [ 0.0029658500000000, -0.0029053700000000, 0.0008787400000000 ] - [ 0.0074713200000000, -0.0228365200000000, -0.0155007500000000 ] - [ -0.0011272200000000, -0.0004251700000000, -0.0004141300000000 ] - [ -0.0182785100000000, -0.0151961000000000, 0.0046134400000000 ] - [ -0.0000790800000000, -0.0002983900000000, -0.0009953800000000 ] - [ 0.0007605200000000, -0.0002949800000000, 0.0002237400000000 ] - [ -0.0003077400000000, -0.0002824300000000, -0.0007761300000000 ] - [ -0.0029615400000000, -0.0028184500000000, 0.0005475800000000 ] - [ -0.0030317700000000, -0.0015454300000000, -0.0021490100000000 ] - [ 0.0007600700000000, -0.0021008400000000, 0.0040746000000000 ] - [ 0.0012202000000000, -0.0006342600000000, -0.0001422900000000 ] - [ 0.0182954600000000, -0.0147385300000000, 0.0045102000000000 ] - [ 0.0003083000000000, 0.0000608800000000, -0.0006518500000000 ] - [ 0.0031183700000000, -0.0013415500000000, -0.0018772700000000 ] - [ -0.0000730000000000, -0.0042408500000000, -0.0057357100000000 ] - [ -0.0075337800000000, -0.0225638700000000, -0.0157601700000000 ] - [ -0.0005656100000000, 0.0005151800000000, 0.0011402900000000 ] - [ -0.0019098500000000, 0.0001657900000000, -0.0009965600000000 ] - [ 0.0250309900000000, 0.0723045800000000, 0.0286994300000000 ] - [ -0.0004420000000000, 0.0000243500000000, -0.0004554500000000 ] - [ -0.0028964600000000, 0.0008534400000000, 0.0105667600000000 ] - [ -0.0004660300000000, -0.0001367800000000, 0.0001138000000000 ] - [ -0.0159373000000000, 0.0665803600000000, -0.0121739300000000 ] - [ 0.0007217200000000, 0.0004866100000000, -0.0006388900000000 ] - [ 0.0086766100000000, 0.0007949500000000, 0.0021281600000000 ] - [ -0.0006086500000000, 0.0000170800000000, -0.0006564100000000 ] - [ -0.0008630300000000, -0.0002661400000000, 0.0000472700000000 ] - [ 0.0136596700000000, 0.0645293400000000, -0.0101583200000000 ] - [ 0.0002503400000000, 0.0000814600000000, -0.0001812000000000 ] - [ -0.0009295700000000, 0.0004725600000000, 0.0001719000000000 ] - [ -0.0002187800000000, -0.0007425900000000, -0.0020981900000000 ] - [ -0.0006614100000000, 0.0007558600000000, 0.0006484300000000 ] - [ 0.0007824200000000, 0.0063410300000000, 0.0007754900000000 ] - [ 0.0000171500000000, 0.0000970000000000, 0.0017962500000000 ] - [ 0.0106258800000000, 0.0015253900000000, 0.0039317800000000 ] - [ -0.0004017500000000, 0.0005102700000000, -0.0007314700000000 ] - [ 0.0029052900000000, 0.0005693500000000, 0.0105601200000000 ] - [ 0.0008585500000000, 0.0000433200000000, 0.0000481300000000 ] - [ 0.0014683400000000, 0.0001390700000000, -0.0005967600000000 ] - [ 0.0002092500000000, -0.0003971300000000, 0.0005884900000000 ] - [ 0.0002136500000000, 0.0001668000000000, 0.0003584900000000 ] - [ -0.0010970000000000, 0.0002113100000000, 0.0000586100000000 ] - [ -0.0007271200000000, 0.0007467100000000, -0.0007840800000000 ] - [ 0.0009868300000000, 0.0001752000000000, -0.0000298100000000 ] - [ -0.0049019600000000, -0.0008560700000000, -0.0095412300000000 ] - [ 0.0008290500000000, 0.0005112700000000, 0.0000853400000000 ] - [ 0.0001736800000000, 0.0000370500000000, 0.0015241400000000 ] - [ 0.0008443900000000, 0.0005407700000000, -0.0011280900000000 ] - [ 0.0049246200000000, -0.0010308000000000, -0.0097452100000000 ] - [ -0.0084445600000000, 0.0004816500000000, 0.0023571600000000 ] - [ -0.0004879700000000, -0.0002110900000000, 0.0004631000000000 ] - [ -0.0029214700000000, 0.0045874800000000, -0.0014630800000000 ] - [ 0.0030445300000000, 0.0045826000000000, -0.0013956000000000 ] - [ 0.0015610800000000, 0.0001120700000000, 0.0000698300000000 ] - [ -0.0235950300000000, 0.0714690300000000, 0.0265736600000000 ] - [ 0.0007075400000000, -0.0000230400000000, -0.0005651600000000 ] - [ 0.0000453900000000, -0.0000913300000000, 0.0008312300000000 ] - [ 0.0007440000000000, 0.0005734300000000, 0.0008667400000000 ] - [ -0.0020115000000000, 0.0000846500000000, -0.0003299700000000 ] - [ 0.0004884500000000, 0.0002148000000000, 0.0004642100000000 ] - [ 0.0002163600000000, -0.0004793600000000, -0.0019449900000000 ] - [ -0.0102053500000000, 0.0015323700000000, 0.0035339700000000 ] - [ -0.0008287800000000, 0.0059417300000000, 0.0007325600000000 ] - [ 0.0006612200000000, 0.0005519400000000, 0.0007843200000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0093726000000000, 0.0002512700000000, 0.0015865600000000 ] - [ -0.0006909400000000, 0.0043763700000000, 0.0235031200000000 ] - [ 0.0007148500000000, 0.0001176900000000, 0.0015517500000000 ] - [ -0.0003109600000000, -0.0001507100000000, 0.0015898300000000 ] - [ -0.0003834000000000, -0.0085484700000000, -0.0263663500000000 ] - [ 0.0060557700000000, -0.0004643300000000, 0.0076229800000000 ] - [ 0.0004381100000000, 0.0004569800000000, -0.0061498600000000 ] - [ -0.0097683800000000, 0.0005224500000000, 0.0016227100000000 ] - [ -0.0004288500000000, 0.0004114000000000, 0.0071949600000000 ] - [ 0.0011144800000000, 0.0041035800000000, 0.0235167700000000 ] - [ -0.0064635800000000, -0.0007286500000000, 0.0076561800000000 ] - [ 0.0004306100000000, 0.0003622000000000, 0.0121496700000000 ] - [ -0.0012182000000000, -0.0348527400000000, -0.3288363400000000 ] - [ 0.0000833500000000, -0.0000826100000000, 0.0041040900000000 ] - [ 0.0023312900000000, -0.0002678800000000, 0.0083110600000000 ] - [ -0.0021056600000000, -0.0001779700000000, 0.0020114600000000 ] - [ -0.0047895600000000, 0.0030728500000000, -0.0021233800000000 ] - [ -0.0238834100000000, 0.0001450700000000, 0.0208204400000000 ] - [ -0.0000345600000000, -0.0003787700000000, -0.0014488900000000 ] - [ -0.0311609200000000, -0.0050202100000000, 0.0129267600000000 ] - [ -0.0000844300000000, 0.0009952800000000, 0.0074832200000000 ] - [ 0.0020195800000000, -0.0003958800000000, 0.0017354200000000 ] - [ 0.0008736500000000, 0.0005104700000000, 0.0024365700000000 ] - [ 0.0047970000000000, 0.0031727200000000, -0.0024612700000000 ] - [ -0.0001482100000000, -0.0003715500000000, 0.0080705800000000 ] - [ -0.0023195100000000, -0.0001864900000000, 0.0086624900000000 ] - [ 0.0001307200000000, -0.0005990600000000, -0.0011756100000000 ] - [ 0.0313546300000000, -0.0045246700000000, 0.0128994400000000 ] - [ -0.0008766700000000, 0.0008655800000000, 0.0025549000000000 ] - [ 0.0002335800000000, -0.0001545700000000, 0.0083335000000000 ] - [ -0.0000754800000000, -0.0057382400000000, -0.0135909900000000 ] - [ 0.0235249400000000, 0.0005068300000000, 0.0204676500000000 ] - [ -0.0004980200000000, 0.0006015000000000, 0.0038627900000000 ] - [ 0.0007964100000000, -0.0002416000000000, -0.0055176700000000 ] - [ 0.0373264400000000, 0.0331326100000000, 0.0730553800000000 ] - [ -0.0009672900000000, 0.0000524200000000, -0.0025523100000000 ] - [ -0.0037485500000000, 0.0000435700000000, -0.0072507700000000 ] - [ 0.0009119700000000, 0.0001345300000000, -0.0026107100000000 ] - [ 0.0121584800000000, -0.0109066500000000, 0.0574298600000000 ] - [ -0.0016518700000000, -0.0020223700000000, 0.0034385400000000 ] - [ 0.0139300500000000, 0.0010587300000000, 0.0071218100000000 ] - [ -0.0009059100000000, 0.0001200900000000, -0.0025200100000000 ] - [ -0.0011855400000000, -0.0007932100000000, -0.0003313300000000 ] - [ -0.0139337600000000, -0.0124229700000000, 0.0590880800000000 ] - [ 0.0007644200000000, 0.0001176500000000, -0.0022672500000000 ] - [ -0.0008423900000000, 0.0003820300000000, -0.0064840300000000 ] - [ 0.0005500200000000, -0.0025850800000000, -0.0056666200000000 ] - [ 0.0019294900000000, -0.0000014500000000, -0.0010486300000000 ] - [ 0.0115603500000000, 0.0048168200000000, -0.0016711600000000 ] - [ -0.0013644100000000, 0.0001249300000000, -0.0060416100000000 ] - [ -0.0104437900000000, 0.0006031400000000, -0.0006930800000000 ] - [ -0.0020621200000000, 0.0006980000000000, -0.0029944800000000 ] - [ 0.0037831300000000, -0.0002410700000000, -0.0072298000000000 ] - [ 0.0011788200000000, -0.0004758400000000, -0.0003344300000000 ] - [ -0.0012495200000000, -0.0002976500000000, -0.0051163400000000 ] - [ 0.0000469000000000, 0.0011168300000000, -0.0040161000000000 ] - [ -0.0011590600000000, 0.0004308400000000, -0.0023466000000000 ] - [ -0.0016553000000000, 0.0001852700000000, 0.0014322900000000 ] - [ 0.0016456200000000, -0.0017804200000000, 0.0033238600000000 ] - [ 0.0015437600000000, 0.0001551100000000, 0.0013389500000000 ] - [ -0.0055649200000000, 0.0009789400000000, -0.0079684200000000 ] - [ 0.0007435200000000, 0.0004137800000000, -0.0065768100000000 ] - [ 0.0015690400000000, 0.0000550400000000, -0.0063271800000000 ] - [ 0.0025046800000000, 0.0007540400000000, -0.0034021500000000 ] - [ 0.0055785800000000, 0.0007770600000000, -0.0081967500000000 ] - [ -0.0137180200000000, 0.0007513700000000, 0.0073712900000000 ] - [ 0.0018177600000000, -0.0011701800000000, -0.0016111900000000 ] - [ -0.0091510000000000, -0.0036901200000000, -0.0013879200000000 ] - [ 0.0092854200000000, -0.0036832700000000, -0.0012741600000000 ] - [ -0.0017144000000000, 0.0004134500000000, 0.0014756900000000 ] - [ -0.0346568200000000, 0.0309635700000000, 0.0702058200000000 ] - [ 0.0010046300000000, 0.0000867300000000, -0.0024287300000000 ] - [ 0.0002096200000000, 0.0014129200000000, -0.0037549200000000 ] - [ 0.0006881400000000, 0.0006700800000000, 0.0035767200000000 ] - [ 0.0012577400000000, 0.0003588400000000, 0.0010704100000000 ] - [ -0.0018133600000000, -0.0007782700000000, -0.0016156600000000 ] - [ -0.0005570200000000, -0.0023407600000000, -0.0055396000000000 ] - [ 0.0108481500000000, 0.0005764300000000, -0.0010783200000000 ] - [ -0.0115953700000000, 0.0044475900000000, -0.0016805900000000 ] - [ -0.0019271300000000, -0.0002309500000000, -0.0009155700000000 ]- atom: 15 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0063782700000000, -0.0059830000000000, -0.0228891700000000 ] - [ -0.0021343900000000, 0.0000082600000000, -0.0008337900000000 ] - [ 0.0034139300000000, 0.0001553600000000, 0.0017590600000000 ] - [ 0.0139056300000000, -0.0004942100000000, -0.0009379600000000 ] - [ 0.0031092300000000, 0.0000519400000000, 0.0022320300000000 ] - [ 0.0030098500000000, 0.0001091100000000, -0.0017895100000000 ] - [ 0.0039966800000000, -0.0000517200000000, -0.0022418000000000 ] - [ -0.0025568200000000, 0.0002571600000000, 0.0008702000000000 ] - [ -0.0045639200000000, -0.0051140200000000, 0.0243062500000000 ] - [ -0.0058507800000000, 0.0057095100000000, 0.0227835100000000 ] - [ 0.0134750800000000, 0.0002410000000000, 0.0009626700000000 ] - [ -0.0035721300000000, 0.0051313400000000, -0.0242416900000000 ] - [ -0.0016202400000000, -0.0007561500000000, 0.0023260400000000 ] - [ 0.0067931000000000, 0.0029596300000000, 0.0048049700000000 ] - [ -0.2706829200000000, 0.0044442500000000, -0.0001129700000000 ] - [ -0.0014224300000000, -0.0000450600000000, 0.0031032000000000 ] - [ 0.0054953700000000, -0.0000450500000000, 0.0001646500000000 ] - [ 0.0041257200000000, -0.0010471100000000, 0.0070108500000000 ] - [ 0.0012603200000000, 0.0000539900000000, 0.0000674800000000 ] - [ -0.0023746400000000, -0.0001717000000000, 0.0000572600000000 ] - [ 0.0066219300000000, -0.0029669400000000, -0.0047820700000000 ] - [ 0.0456759900000000, 0.0017697000000000, -0.0016294900000000 ] - [ 0.0048680300000000, -0.0001707500000000, -0.0000530200000000 ] - [ 0.0017397700000000, 0.0000465700000000, -0.0001705700000000 ] - [ 0.0452101100000000, -0.0023018400000000, 0.0013686500000000 ] - [ -0.0042674500000000, 0.0000463500000000, 0.0001600000000000 ] - [ 0.0042281000000000, 0.0008381700000000, -0.0067741100000000 ] - [ -0.0035447000000000, 0.0002185000000000, -0.0000117600000000 ] - [ 0.0073800700000000, 0.0001737700000000, 0.0000555900000000 ] - [ -0.0013017800000000, 0.0002567200000000, -0.0028307800000000 ] - [ -0.0018034000000000, 0.0007645600000000, -0.0023212900000000 ] - [ 0.0011648000000000, 0.0001600300000000, -0.0003297200000000 ] - [ 0.0002842800000000, -0.0002180800000000, 0.0032763000000000 ] - [ 0.0030126600000000, -0.0015157500000000, 0.0015717900000000 ] - [ 0.0050416400000000, -0.0019506800000000, 0.0007463700000000 ] - [ -0.0115751900000000, 0.0005502800000000, -0.0066048500000000 ] - [ -0.0002190300000000, 0.0004830600000000, 0.0013184800000000 ] - [ -0.0059622300000000, 0.0002722300000000, 0.0002941900000000 ] - [ 0.0000182000000000, 0.0003332400000000, -0.0007604900000000 ] - [ -0.0021123200000000, -0.0001394300000000, 0.0000753500000000 ] - [ 0.0017335300000000, 0.0001408900000000, 0.0008722300000000 ] - [ -0.0094115900000000, -0.0069341900000000, 0.0009203400000000 ] - [ -0.0105257700000000, 0.0013524100000000, 0.0097752400000000 ] - [ 0.0000699600000000, 0.0001376600000000, -0.0029804300000000 ] - [ -0.0015473300000000, -0.0000181300000000, -0.0032437100000000 ] - [ 0.0000678000000000, -0.0000777400000000, 0.0020163400000000 ] - [ 0.0097570500000000, -0.0001304800000000, -0.0000652700000000 ] - [ -0.0047777600000000, 0.0001304400000000, -0.0000790500000000 ] - [ 0.0019958000000000, 0.0002030400000000, -0.0000097400000000 ] - [ -0.0013507400000000, 0.0000925200000000, 0.0035112500000000 ] - [ -0.0012172100000000, -0.0003083900000000, 0.0001675500000000 ] - [ 0.0632325000000000, -0.0129012000000000, 0.0001201700000000 ] - [ -0.0105095000000000, -0.0016392900000000, -0.0097690900000000 ] - [ -0.0002144300000000, -0.0001556400000000, -0.0013211900000000 ] - [ 0.0579804800000000, 0.0092316600000000, 0.0005400600000000 ] - [ -0.0056960900000000, -0.0005542000000000, -0.0005747400000000 ] - [ -0.0041895100000000, 0.0002614400000000, -0.0026891000000000 ] - [ -0.0024879100000000, -0.0003988500000000, 0.0031953100000000 ] - [ -0.0030885400000000, 0.0001352700000000, -0.0000687300000000 ] - [ -0.0004331200000000, 0.0000214500000000, -0.0000373300000000 ] - [ 0.0389914300000000, -0.0000069700000000, 0.0002062600000000 ] - [ -0.0094780300000000, 0.0069051000000000, -0.0010087400000000 ] - [ -0.0114053700000000, -0.0005875000000000, 0.0063392100000000 ] - [ 0.0034479700000000, 0.0016083700000000, -0.0019799400000000 ] - [ 0.0018320100000000, -0.0001288000000000, -0.0000811400000000 ] - [ 0.0053440100000000, 0.0016569200000000, -0.0005088800000000 ] - [ -0.0071096200000000, -0.0002042400000000, -0.0000142500000000 ] - [ -0.0003303100000000, -0.0000673100000000, -0.0000557000000000 ] - [ -0.0023870300000000, 0.0004402900000000, -0.0030865700000000 ] - [ -0.0016343500000000, 0.0004093400000000, 0.0002506300000000 ] - [ 0.0014716300000000, 0.0001419900000000, -0.0011447100000000 ] - [ 0.0001754900000000, 0.0000337300000000, -0.0019262200000000 ] - [ -0.0039265300000000, 0.0000288800000000, 0.0029600800000000 ] - [ 0.0002278600000000, -0.0002548400000000, 0.0004779000000000 ] - [ -0.0054266400000000, -0.0004958400000000, 0.0014432500000000 ] - [ -0.0028499400000000, 0.0001971600000000, 0.0000072900000000 ] - [ 0.0579429600000000, -0.0003882900000000, -0.0003900600000000 ] - [ -0.0050041100000000, 0.0003993200000000, -0.0018523700000000 ] - [ 0.0108634900000000, -0.0002104500000000, 0.0000034900000000 ] - [ -0.0020204500000000, -0.0001287600000000, 0.0000804900000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0087382600000000, 0.0173175300000000, 0.0041378600000000 ] - [ -0.0006813900000000, 0.0005093200000000, 0.0006484800000000 ] - [ 0.0015575300000000, 0.0002799900000000, -0.0008833800000000 ] - [ -0.0006896100000000, 0.0017476300000000, 0.0003631000000000 ] - [ -0.0012532100000000, 0.0000852600000000, 0.0014564300000000 ] - [ -0.0015575300000000, 0.0002799900000000, -0.0008833800000000 ] - [ 0.0012532100000000, 0.0000852600000000, 0.0014564300000000 ] - [ 0.0006813900000000, 0.0005093200000000, 0.0006484800000000 ] - [ 0.0150636200000000, 0.0222110700000000, -0.0014310200000000 ] - [ -0.0087382600000000, 0.0173175300000000, 0.0041378600000000 ] - [ 0.0006896100000000, 0.0017476300000000, 0.0003631000000000 ] - [ -0.0150636200000000, 0.0222110700000000, -0.0014310200000000 ] - [ -0.0021791900000000, -0.0021364400000000, -0.0002203200000000 ] - [ -0.0003471600000000, -0.0028640500000000, -0.0031256000000000 ] - [ 0.0000000000000000, -0.2828425500000000, -0.0748084700000000 ] - [ 0.0024367900000000, 0.0002345400000000, -0.0007228000000000 ] - [ 0.0000000000000000, -0.0007089800000000, 0.0008423200000000 ] - [ -0.0002073300000000, -0.0015969400000000, 0.0041673800000000 ] - [ 0.0007348400000000, -0.0001230500000000, 0.0000931900000000 ] - [ 0.0000000000000000, -0.0005540000000000, 0.0002024500000000 ] - [ 0.0003471600000000, -0.0028640500000000, -0.0031256000000000 ] - [ -0.0193322700000000, -0.0202302600000000, 0.0015968900000000 ] - [ 0.0000000000000000, -0.0005955800000000, -0.0007083900000000 ] - [ 0.0000000000000000, -0.0004068600000000, -0.0000978000000000 ] - [ 0.0193322700000000, -0.0202302600000000, 0.0015968900000000 ] - [ 0.0000000000000000, -0.0036625600000000, 0.0019393500000000 ] - [ 0.0002073300000000, -0.0015969400000000, 0.0041673800000000 ] - [ 0.0000000000000000, -0.0188414300000000, -0.0113062200000000 ] - [ 0.0000000000000000, -0.0000689000000000, -0.0001250500000000 ] - [ -0.0024367900000000, 0.0002345400000000, -0.0007228000000000 ] - [ 0.0021791900000000, -0.0021364400000000, -0.0002203200000000 ] - [ -0.0007348400000000, -0.0001230500000000, 0.0000931900000000 ] - [ -0.0016134400000000, 0.0000615400000000, -0.0012987100000000 ] - [ 0.0020937300000000, 0.0005938500000000, -0.0025377100000000 ] - [ 0.0058884400000000, 0.0010335400000000, 0.0060293500000000 ] - [ 0.0082719200000000, -0.0009129500000000, 0.0060908500000000 ] - [ 0.0011281200000000, -0.0000388800000000, -0.0002910200000000 ] - [ -0.0002164600000000, 0.0002148200000000, 0.0003897100000000 ] - [ 0.0010662500000000, 0.0001694200000000, 0.0001024700000000 ] - [ 0.0000000000000000, 0.0000096400000000, -0.0003019500000000 ] - [ -0.0001909500000000, 0.0004176200000000, -0.0002125500000000 ] - [ -0.0026068800000000, 0.0064817000000000, 0.0004990100000000 ] - [ 0.0074956600000000, -0.0000754500000000, -0.0077646400000000 ] - [ 0.0016134400000000, 0.0000615400000000, -0.0012987100000000 ] - [ -0.0015821400000000, 0.0008875700000000, 0.0015569800000000 ] - [ 0.0013417000000000, -0.0006139800000000, -0.0011922100000000 ] - [ 0.0000000000000000, -0.0012696800000000, 0.0023997600000000 ] - [ 0.0000000000000000, -0.0000446300000000, -0.0004746700000000 ] - [ 0.0000000000000000, 0.0002415200000000, -0.0000457200000000 ] - [ 0.0015821400000000, 0.0008875700000000, 0.0015569800000000 ] - [ 0.0007471800000000, 0.0000296200000000, 0.0000738800000000 ] - [ -0.0083836400000000, 0.0551396300000000, 0.0007575500000000 ] - [ -0.0074956600000000, -0.0000754500000000, -0.0077646400000000 ] - [ -0.0011281200000000, -0.0000388800000000, -0.0002910200000000 ] - [ 0.0083836400000000, 0.0551396300000000, 0.0007575500000000 ] - [ 0.0002164600000000, 0.0002148200000000, 0.0003897100000000 ] - [ 0.0004302900000000, 0.0001767100000000, 0.0016669000000000 ] - [ -0.0005386900000000, 0.0005384100000000, -0.0010671200000000 ] - [ 0.0000000000000000, 0.0007014600000000, -0.0008847300000000 ] - [ -0.0006379600000000, 0.0000675800000000, -0.0003563900000000 ] - [ 0.0000000000000000, 0.0413064100000000, 0.0043953300000000 ] - [ 0.0026068800000000, 0.0064817000000000, 0.0004990100000000 ] - [ -0.0082719200000000, -0.0009129500000000, 0.0060908500000000 ] - [ -0.0020937300000000, 0.0005938500000000, -0.0025377100000000 ] - [ 0.0000000000000000, 0.0003227100000000, 0.0001059900000000 ] - [ -0.0058884400000000, 0.0010335400000000, 0.0060293500000000 ] - [ 0.0000000000000000, -0.0001197600000000, 0.0000254700000000 ] - [ 0.0006379600000000, 0.0000675800000000, -0.0003563900000000 ] - [ 0.0005386900000000, 0.0005384100000000, -0.0010671200000000 ] - [ -0.0007471800000000, 0.0000296200000000, 0.0000738800000000 ] - [ 0.0001909500000000, 0.0004176200000000, -0.0002125500000000 ] - [ -0.0013417000000000, -0.0006139800000000, -0.0011922100000000 ] - [ -0.0004302900000000, 0.0001767100000000, 0.0016669000000000 ] - [ -0.0010662500000000, 0.0001694200000000, 0.0001024700000000 ] - [ 0.0006420300000000, 0.0000034200000000, -0.0015206100000000 ] - [ 0.0000000000000000, 0.0006798400000000, 0.0004534300000000 ] - [ 0.0000000000000000, 0.1025643200000000, 0.0679417100000000 ] - [ -0.0006420300000000, 0.0000034200000000, -0.0015206100000000 ] - [ 0.0000000000000000, 0.0042829300000000, -0.0040995900000000 ] - [ 0.0000000000000000, -0.0002114400000000, 0.0005348600000000 ]- atom: 15 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0091175300000000, -0.0176256300000000, -0.0042718500000000 ] - [ 0.0010856900000000, -0.0002398000000000, -0.0005838500000000 ] - [ -0.0011449600000000, -0.0000118900000000, 0.0008287300000000 ] - [ 0.0010912100000000, -0.0020100500000000, -0.0003146200000000 ] - [ 0.0003886500000000, -0.0000868000000000, -0.0014489500000000 ] - [ 0.0011449600000000, -0.0000118900000000, 0.0008287300000000 ] - [ -0.0003886500000000, -0.0000868000000000, -0.0014489500000000 ] - [ -0.0010856900000000, -0.0002398000000000, -0.0005838500000000 ] - [ -0.0157835200000000, -0.0221388700000000, 0.0015402000000000 ] - [ 0.0091175300000000, -0.0176256300000000, -0.0042718500000000 ] - [ -0.0010912100000000, -0.0020100500000000, -0.0003146200000000 ] - [ 0.0157835200000000, -0.0221388700000000, 0.0015402000000000 ] - [ 0.0023472800000000, 0.0021393100000000, 0.0002336100000000 ] - [ 0.0005164500000000, 0.0028568400000000, 0.0031215400000000 ] - [ 0.0000000000000000, 0.2809988200000000, 0.0695329700000000 ] - [ -0.0025257300000000, -0.0000017000000000, 0.0009860300000000 ] - [ 0.0000000000000000, 0.0005964400000000, -0.0004882100000000 ] - [ 0.0001103600000000, 0.0013665200000000, -0.0039042400000000 ] - [ -0.0006327300000000, 0.0003567200000000, -0.0003491100000000 ] - [ 0.0000000000000000, 0.0001838200000000, -0.0000634200000000 ] - [ -0.0005164500000000, 0.0028568400000000, 0.0031215400000000 ] - [ 0.0192149400000000, 0.0198962400000000, -0.0018798700000000 ] - [ 0.0000000000000000, 0.0002245700000000, 0.0005811300000000 ] - [ 0.0000000000000000, 0.0005183200000000, -0.0002563200000000 ] - [ -0.0192149400000000, 0.0198962400000000, -0.0018798700000000 ] - [ 0.0000000000000000, 0.0037755500000000, -0.0015656100000000 ] - [ -0.0001103600000000, 0.0013665200000000, -0.0039042400000000 ] - [ 0.0000000000000000, 0.0192913000000000, 0.0111711900000000 ] - [ 0.0000000000000000, 0.0004406000000000, 0.0002507300000000 ] - [ 0.0025257300000000, -0.0000017000000000, 0.0009860300000000 ] - [ -0.0023472800000000, 0.0021393100000000, 0.0002336100000000 ] - [ 0.0006327300000000, 0.0003567200000000, -0.0003491100000000 ] - [ 0.0017966100000000, -0.0001565600000000, 0.0015632900000000 ] - [ -0.0025170500000000, -0.0005115300000000, 0.0021096000000000 ] - [ -0.0061358300000000, -0.0013001100000000, -0.0057903600000000 ] - [ -0.0084327700000000, 0.0008470600000000, -0.0063302800000000 ] - [ -0.0011218700000000, 0.0003750900000000, 0.0002830700000000 ] - [ -0.0000276100000000, -0.0004597300000000, -0.0006433100000000 ] - [ -0.0012471100000000, -0.0000735800000000, -0.0003745300000000 ] - [ 0.0000000000000000, -0.0002786100000000, 0.0004426700000000 ] - [ 0.0004278500000000, -0.0001760000000000, -0.0000496500000000 ] - [ 0.0026871900000000, -0.0064787000000000, -0.0005618100000000 ] - [ -0.0074969000000000, -0.0002362400000000, 0.0077610500000000 ] - [ -0.0017966100000000, -0.0001565600000000, 0.0015632900000000 ] - [ 0.0013936700000000, -0.0007927000000000, -0.0012882000000000 ] - [ -0.0014466200000000, 0.0005659500000000, 0.0012648400000000 ] - [ 0.0000000000000000, 0.0010281700000000, -0.0025467200000000 ] - [ 0.0000000000000000, 0.0003038400000000, 0.0003434900000000 ] - [ 0.0000000000000000, 0.0001947100000000, 0.0000736500000000 ] - [ -0.0013936700000000, -0.0007927000000000, -0.0012882000000000 ] - [ -0.0003107900000000, 0.0000557000000000, 0.0003349900000000 ] - [ 0.0112848300000000, -0.0571691900000000, -0.0002071600000000 ] - [ 0.0074969000000000, -0.0002362400000000, 0.0077610500000000 ] - [ 0.0011218700000000, 0.0003750900000000, 0.0002830700000000 ] - [ -0.0112848300000000, -0.0571691900000000, -0.0002071600000000 ] - [ 0.0000276100000000, -0.0004597300000000, -0.0006433100000000 ] - [ -0.0006719400000000, 0.0000704700000000, -0.0014058800000000 ] - [ 0.0004259000000000, -0.0004940900000000, 0.0011541700000000 ] - [ 0.0000000000000000, -0.0004309000000000, 0.0007428300000000 ] - [ 0.0005190800000000, -0.0001122100000000, 0.0002658500000000 ] - [ 0.0000000000000000, -0.0401795100000000, -0.0052499600000000 ] - [ -0.0026871900000000, -0.0064787000000000, -0.0005618100000000 ] - [ 0.0084327700000000, 0.0008470600000000, -0.0063302800000000 ] - [ 0.0025170500000000, -0.0005115300000000, 0.0021096000000000 ] - [ 0.0000000000000000, -0.0005815800000000, -0.0002575500000000 ] - [ 0.0061358300000000, -0.0013001100000000, -0.0057903600000000 ] - [ 0.0000000000000000, -0.0003166600000000, 0.0000057200000000 ] - [ -0.0005190800000000, -0.0001122100000000, 0.0002658500000000 ] - [ -0.0004259000000000, -0.0004940900000000, 0.0011541700000000 ] - [ 0.0003107900000000, 0.0000557000000000, 0.0003349900000000 ] - [ -0.0004278500000000, -0.0001760000000000, -0.0000496500000000 ] - [ 0.0014466200000000, 0.0005659500000000, 0.0012648400000000 ] - [ 0.0006719400000000, 0.0000704700000000, -0.0014058800000000 ] - [ 0.0012471100000000, -0.0000735800000000, -0.0003745300000000 ] - [ -0.0010770800000000, -0.0000875700000000, 0.0011097400000000 ] - [ 0.0000000000000000, -0.0002498900000000, -0.0004876700000000 ] - [ 0.0000000000000000, -0.0975311600000000, -0.0622149600000000 ] - [ 0.0010770800000000, -0.0000875700000000, 0.0011097400000000 ] - [ 0.0000000000000000, -0.0046754500000000, 0.0040853500000000 ] - [ 0.0000000000000000, -0.0000462600000000, -0.0004054200000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0294132000000000, -0.0119830000000000, -0.0062228100000000 ] - [ 0.0000265200000000, 0.0005607800000000, 0.0085514000000000 ] - [ 0.0023678500000000, 0.0000860000000000, 0.0024349100000000 ] - [ -0.0003184500000000, -0.0000779600000000, -0.0040198700000000 ] - [ 0.0017152900000000, -0.0000768100000000, 0.0028372200000000 ] - [ -0.0023678500000000, 0.0000860000000000, 0.0024349100000000 ] - [ -0.0017152900000000, -0.0000768100000000, 0.0028372200000000 ] - [ -0.0000265200000000, 0.0005607800000000, 0.0085514000000000 ] - [ 0.0275728400000000, 0.0082755600000000, 0.0070342700000000 ] - [ 0.0294132000000000, -0.0119830000000000, -0.0062228100000000 ] - [ 0.0003184500000000, -0.0000779600000000, -0.0040198700000000 ] - [ -0.0275728400000000, 0.0082755600000000, 0.0070342700000000 ] - [ 0.0053969000000000, 0.0039065200000000, 0.0084977500000000 ] - [ 0.0028932200000000, -0.0007211200000000, -0.0023054500000000 ] - [ 0.0000000000000000, -0.0767802900000000, -0.2474430300000000 ] - [ 0.0048036400000000, 0.0006239900000000, 0.0028604900000000 ] - [ 0.0000000000000000, -0.0007312900000000, -0.0007260600000000 ] - [ 0.0027067400000000, 0.0007739200000000, -0.0023707400000000 ] - [ -0.0002296400000000, 0.0005110100000000, 0.0039842800000000 ] - [ 0.0000000000000000, -0.0001789900000000, 0.0071148000000000 ] - [ -0.0028932200000000, -0.0007211200000000, -0.0023054500000000 ] - [ 0.0028151200000000, 0.0014075800000000, -0.0056082600000000 ] - [ 0.0000000000000000, -0.0002572400000000, 0.0008989200000000 ] - [ 0.0000000000000000, -0.0000170100000000, 0.0018424600000000 ] - [ -0.0028151200000000, 0.0014075800000000, -0.0056082600000000 ] - [ 0.0000000000000000, 0.0018180100000000, 0.0130622900000000 ] - [ -0.0027067400000000, 0.0007739200000000, -0.0023707400000000 ] - [ 0.0000000000000000, 0.0116696700000000, 0.0377164600000000 ] - [ 0.0000000000000000, -0.0001438600000000, -0.0018687000000000 ] - [ -0.0048036400000000, 0.0006239900000000, 0.0028604900000000 ] - [ -0.0053969000000000, 0.0039065200000000, 0.0084977500000000 ] - [ 0.0002296400000000, 0.0005110100000000, 0.0039842800000000 ] - [ 0.0042153400000000, 0.0001745500000000, -0.0013779100000000 ] - [ 0.0033830900000000, -0.0000747900000000, -0.0058313000000000 ] - [ -0.0103567400000000, -0.0018051400000000, -0.0127987800000000 ] - [ 0.0002971900000000, -0.0013509600000000, 0.0044223800000000 ] - [ 0.0019273400000000, -0.0004053600000000, -0.0040389900000000 ] - [ -0.0011745600000000, -0.0007300600000000, 0.0017111600000000 ] - [ -0.0026130700000000, 0.0002601800000000, -0.0044638200000000 ] - [ 0.0000000000000000, 0.0007484200000000, -0.0014661500000000 ] - [ -0.0006349000000000, -0.0016189700000000, -0.0060733600000000 ] - [ -0.0017459000000000, -0.0002789500000000, 0.0097538500000000 ] - [ -0.0012913800000000, 0.0014709500000000, 0.0082107500000000 ] - [ -0.0042153400000000, 0.0001745500000000, -0.0013779100000000 ] - [ -0.0036452500000000, 0.0013711900000000, 0.0000846600000000 ] - [ 0.0028882600000000, -0.0005759700000000, -0.0044569800000000 ] - [ 0.0000000000000000, -0.0010170300000000, -0.0091481400000000 ] - [ 0.0000000000000000, 0.0003815300000000, 0.0016799600000000 ] - [ 0.0000000000000000, 0.0010325000000000, -0.0038238800000000 ] - [ 0.0036452500000000, 0.0013711900000000, 0.0000846600000000 ] - [ 0.0001171100000000, -0.0000617100000000, -0.0014338200000000 ] - [ -0.0011388200000000, -0.0018782500000000, 0.0431315400000000 ] - [ 0.0012913800000000, 0.0014709500000000, 0.0082107500000000 ] - [ -0.0019273400000000, -0.0004053600000000, -0.0040389900000000 ] - [ 0.0011388200000000, -0.0018782500000000, 0.0431315400000000 ] - [ 0.0011745600000000, -0.0007300600000000, 0.0017111600000000 ] - [ -0.0010013300000000, 0.0004521800000000, 0.0002169000000000 ] - [ 0.0032513600000000, -0.0007643100000000, 0.0009078700000000 ] - [ 0.0000000000000000, 0.0000441300000000, -0.0001599800000000 ] - [ -0.0001723300000000, -0.0002470200000000, -0.0026296900000000 ] - [ 0.0000000000000000, 0.0106699200000000, 0.0255430500000000 ] - [ 0.0017459000000000, -0.0002789500000000, 0.0097538500000000 ] - [ -0.0002971900000000, -0.0013509600000000, 0.0044223800000000 ] - [ -0.0033830900000000, -0.0000747900000000, -0.0058313000000000 ] - [ 0.0000000000000000, 0.0003156200000000, -0.0081293000000000 ] - [ 0.0103567400000000, -0.0018051400000000, -0.0127987800000000 ] - [ 0.0000000000000000, 0.0002037000000000, 0.0009579300000000 ] - [ 0.0001723300000000, -0.0002470200000000, -0.0026296900000000 ] - [ -0.0032513600000000, -0.0007643100000000, 0.0009078700000000 ] - [ -0.0001171100000000, -0.0000617100000000, -0.0014338200000000 ] - [ 0.0006349000000000, -0.0016189700000000, -0.0060733600000000 ] - [ -0.0028882600000000, -0.0005759700000000, -0.0044569800000000 ] - [ 0.0010013300000000, 0.0004521800000000, 0.0002169000000000 ] - [ 0.0026130700000000, 0.0002601800000000, -0.0044638200000000 ] - [ 0.0007292100000000, -0.0004630700000000, 0.0006357100000000 ] - [ 0.0000000000000000, 0.0003633300000000, -0.0002262400000000 ] - [ 0.0000000000000000, 0.0644319200000000, 0.1083607900000000 ] - [ -0.0007292100000000, -0.0004630700000000, 0.0006357100000000 ] - [ 0.0000000000000000, -0.0054486300000000, -0.0058989200000000 ] - [ 0.0000000000000000, -0.0006263000000000, -0.0015730100000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0290166000000000, 0.0116878400000000, 0.0062165600000000 ] - [ 0.0003634800000000, -0.0002904700000000, -0.0084757900000000 ] - [ -0.0019438100000000, 0.0001810600000000, -0.0024884200000000 ] - [ 0.0007014800000000, -0.0001866100000000, 0.0040637900000000 ] - [ -0.0025796300000000, 0.0000750100000000, -0.0028166200000000 ] - [ 0.0019438100000000, 0.0001810600000000, -0.0024884200000000 ] - [ 0.0025796300000000, 0.0000750100000000, -0.0028166200000000 ] - [ -0.0003634800000000, -0.0002904700000000, -0.0084757900000000 ] - [ -0.0282369500000000, -0.0081781000000000, -0.0070849300000000 ] - [ -0.0290166000000000, 0.0116878400000000, 0.0062165600000000 ] - [ -0.0007014800000000, -0.0001866100000000, 0.0040637900000000 ] - [ 0.0282369500000000, -0.0081781000000000, -0.0070849300000000 ] - [ -0.0052410400000000, -0.0039020400000000, -0.0084772100000000 ] - [ -0.0027225500000000, 0.0007060500000000, 0.0022779800000000 ] - [ 0.0000000000000000, 0.0675212500000000, 0.2490052200000000 ] - [ -0.0048584000000000, -0.0003916000000000, -0.0025966500000000 ] - [ 0.0000000000000000, 0.0006108300000000, 0.0010976200000000 ] - [ -0.0028087700000000, -0.0010138100000000, 0.0026552400000000 ] - [ 0.0003390100000000, -0.0002741100000000, -0.0042356300000000 ] - [ 0.0000000000000000, -0.0001921500000000, -0.0069687600000000 ] - [ 0.0027225500000000, 0.0007060500000000, 0.0022779800000000 ] - [ -0.0030209100000000, -0.0017045500000000, 0.0053321400000000 ] - [ 0.0000000000000000, -0.0001174200000000, -0.0010214000000000 ] - [ 0.0000000000000000, 0.0001290800000000, -0.0022046700000000 ] - [ 0.0030209100000000, -0.0017045500000000, 0.0053321400000000 ] - [ 0.0000000000000000, -0.0016990300000000, -0.0125989400000000 ] - [ 0.0028087700000000, -0.0010138100000000, 0.0026552400000000 ] - [ 0.0000000000000000, -0.0109841700000000, -0.0382155600000000 ] - [ 0.0000000000000000, 0.0005137800000000, 0.0019842000000000 ] - [ 0.0048584000000000, -0.0003916000000000, -0.0025966500000000 ] - [ 0.0052410400000000, -0.0039020400000000, -0.0084772100000000 ] - [ -0.0003390100000000, -0.0002741100000000, -0.0042356300000000 ] - [ -0.0040244200000000, -0.0002631200000000, 0.0016446400000000 ] - [ -0.0037695500000000, 0.0001770200000000, 0.0053797600000000 ] - [ 0.0100869500000000, 0.0014994300000000, 0.0130280800000000 ] - [ -0.0004597500000000, 0.0012743300000000, -0.0046475200000000 ] - [ -0.0019075700000000, 0.0007335100000000, 0.0040253100000000 ] - [ 0.0009336800000000, 0.0004673900000000, -0.0019686000000000 ] - [ 0.0024184800000000, -0.0001740700000000, 0.0041724100000000 ] - [ 0.0000000000000000, -0.0009754500000000, 0.0015621800000000 ] - [ 0.0008612500000000, 0.0018711100000000, 0.0057868000000000 ] - [ 0.0018751600000000, 0.0003066900000000, -0.0098264200000000 ] - [ 0.0013151500000000, -0.0017904700000000, -0.0082495600000000 ] - [ 0.0040244200000000, -0.0002631200000000, 0.0016446400000000 ] - [ 0.0034244900000000, -0.0012844500000000, 0.0002096500000000 ] - [ -0.0029780200000000, 0.0005773400000000, 0.0045415800000000 ] - [ 0.0000000000000000, 0.0008614900000000, 0.0090292800000000 ] - [ 0.0000000000000000, -0.0001222300000000, -0.0018216000000000 ] - [ 0.0000000000000000, -0.0006620600000000, 0.0038432500000000 ] - [ -0.0034244900000000, -0.0012844500000000, 0.0002096500000000 ] - [ 0.0003207700000000, 0.0001669000000000, 0.0018388200000000 ] - [ 0.0011135900000000, 0.0022277200000000, -0.0427927100000000 ] - [ -0.0013151500000000, -0.0017904700000000, -0.0082495600000000 ] - [ 0.0019075700000000, 0.0007335100000000, 0.0040253100000000 ] - [ -0.0011135900000000, 0.0022277200000000, -0.0427927100000000 ] - [ -0.0009336800000000, 0.0004673900000000, -0.0019686000000000 ] - [ 0.0007629900000000, -0.0001901800000000, 0.0000674500000000 ] - [ -0.0033658000000000, 0.0007660600000000, -0.0008259900000000 ] - [ 0.0000000000000000, 0.0001909100000000, 0.0000481900000000 ] - [ 0.0000477700000000, 0.0002476200000000, 0.0025296000000000 ] - [ 0.0000000000000000, -0.0080194700000000, -0.0308283700000000 ] - [ -0.0018751600000000, 0.0003066900000000, -0.0098264200000000 ] - [ 0.0004597500000000, 0.0012743300000000, -0.0046475200000000 ] - [ 0.0037695500000000, 0.0001770200000000, 0.0053797600000000 ] - [ 0.0000000000000000, -0.0005768000000000, 0.0079454000000000 ] - [ -0.0100869500000000, 0.0014994300000000, 0.0130280800000000 ] - [ 0.0000000000000000, -0.0005663700000000, -0.0009237800000000 ] - [ -0.0000477700000000, 0.0002476200000000, 0.0025296000000000 ] - [ 0.0033658000000000, 0.0007660600000000, -0.0008259900000000 ] - [ -0.0003207700000000, 0.0001669000000000, 0.0018388200000000 ] - [ -0.0008612500000000, 0.0018711100000000, 0.0057868000000000 ] - [ 0.0029780200000000, 0.0005773400000000, 0.0045415800000000 ] - [ -0.0007629900000000, -0.0001901800000000, 0.0000674500000000 ] - [ -0.0024184800000000, -0.0001740700000000, 0.0041724100000000 ] - [ -0.0011606100000000, 0.0003605700000000, -0.0010541900000000 ] - [ 0.0000000000000000, 0.0000044100000000, 0.0001993200000000 ] - [ 0.0000000000000000, -0.0588220200000000, -0.1042061500000000 ] - [ 0.0011606100000000, 0.0003605700000000, -0.0010541900000000 ] - [ 0.0000000000000000, 0.0051765900000000, 0.0059037200000000 ] - [ 0.0000000000000000, 0.0003646900000000, 0.0017117800000000 ]- atom: 16 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0045030500000000, 0.0000642600000000, 0.0001818500000000 ] - [ 0.0082917400000000, -0.0000560400000000, -0.0041119000000000 ] - [ 0.0145921900000000, 0.0090084900000000, 0.0075431100000000 ] - [ 0.0001251700000000, 0.0004621400000000, -0.0040844500000000 ] - [ 0.0036051000000000, -0.0000809400000000, 0.0001236200000000 ] - [ 0.0093280600000000, -0.0001144000000000, 0.0009361600000000 ] - [ 0.0016173000000000, 0.0003238000000000, 0.0034602300000000 ] - [ -0.0231444900000000, -0.0033008200000000, -0.0168460300000000 ] - [ -0.0277289000000000, -0.0041008600000000, 0.0205457900000000 ] - [ 0.0012249600000000, -0.0001626200000000, 0.0008425200000000 ] - [ 0.0042674200000000, -0.0000720800000000, -0.0003274100000000 ] - [ 0.0093183600000000, 0.0001099500000000, 0.0061975000000000 ] - [ 0.0023544600000000, -0.0007999200000000, -0.0020600900000000 ] - [ 0.0167577000000000, -0.0074468800000000, -0.0238390000000000 ] - [ -0.0013573200000000, 0.0024282800000000, 0.0046455300000000 ] - [ -0.2648626000000000, 0.0105185900000000, -0.0128266500000000 ] - [ 0.0012080300000000, -0.0007286200000000, -0.0001118100000000 ] - [ 0.0019535400000000, -0.0003612300000000, 0.0002292600000000 ] - [ 0.0073673100000000, -0.0040291400000000, 0.0158425300000000 ] - [ -0.0010279600000000, 0.0001924500000000, -0.0088094700000000 ] - [ 0.0052962700000000, 0.0011759200000000, -0.0000882900000000 ] - [ -0.0065662200000000, -0.0003654800000000, -0.0027614500000000 ] - [ 0.0098964600000000, 0.0006156200000000, 0.0010175600000000 ] - [ 0.0041642300000000, 0.0002119800000000, 0.0025937300000000 ] - [ 0.0022873200000000, 0.0002317200000000, 0.0006649200000000 ] - [ 0.0451113300000000, 0.0193547800000000, -0.0027482200000000 ] - [ -0.0003626300000000, -0.0004134600000000, 0.0001626100000000 ] - [ -0.0014706400000000, 0.0003787900000000, 0.0002907100000000 ] - [ 0.0043106100000000, -0.0002957900000000, -0.0017068600000000 ] - [ 0.0079813400000000, 0.0012504400000000, -0.0002807900000000 ] - [ -0.0067280900000000, -0.0030662800000000, -0.0001930900000000 ] - [ 0.0038320300000000, 0.0003295100000000, -0.0013802800000000 ] - [ 0.0019053800000000, 0.0003538100000000, -0.0001387300000000 ] - [ -0.0136857800000000, -0.0000784400000000, 0.0000032800000000 ] - [ -0.0001048200000000, -0.0001098200000000, 0.0009899600000000 ] - [ 0.0059332900000000, 0.0043315800000000, 0.0058353900000000 ] - [ -0.0046405800000000, 0.0002684400000000, 0.0019333500000000 ] - [ -0.0046138600000000, -0.0003294700000000, 0.0054037800000000 ] - [ -0.0024463300000000, -0.0000126200000000, 0.0005821000000000 ] - [ -0.0021737000000000, 0.0006269700000000, -0.0014026100000000 ] - [ 0.0041620500000000, 0.0013342200000000, 0.0036902400000000 ] - [ 0.0041993100000000, -0.0008306600000000, 0.0019380600000000 ] - [ 0.0017445400000000, -0.0002453100000000, 0.0007971700000000 ] - [ -0.0016891100000000, -0.0002216100000000, 0.0008620000000000 ] - [ 0.0501843300000000, -0.0042075400000000, -0.0065728000000000 ] - [ -0.0046724100000000, -0.0009037900000000, 0.0005275300000000 ] - [ -0.0058420500000000, -0.0097642300000000, -0.0088760500000000 ] - [ -0.0015899400000000, 0.0000363500000000, 0.0009982700000000 ] - [ 0.0000392100000000, 0.0012646400000000, 0.0049579700000000 ] - [ -0.0052939100000000, -0.0004946000000000, -0.0010511000000000 ] - [ -0.0037685300000000, -0.0003212300000000, -0.0002639200000000 ] - [ 0.0040361800000000, 0.0003848000000000, -0.0019821700000000 ] - [ -0.0016188500000000, -0.0004862900000000, -0.0007943700000000 ] - [ 0.0441799900000000, 0.0034865500000000, 0.0216917400000000 ] - [ -0.0013801100000000, 0.0001828500000000, -0.0017300300000000 ] - [ -0.0030871400000000, -0.0002726300000000, -0.0005364500000000 ] - [ -0.0071280300000000, 0.0019411500000000, 0.0010433000000000 ] - [ 0.0007606200000000, 0.0001459000000000, -0.0002762500000000 ] - [ -0.0015140200000000, 0.0002247000000000, -0.0003463600000000 ] - [ 0.0022718400000000, 0.0034892900000000, -0.0044161800000000 ] - [ 0.0010016400000000, 0.0003562800000000, -0.0022355900000000 ] - [ -0.0020546400000000, -0.0002912400000000, -0.0017354000000000 ] - [ -0.0028021800000000, 0.0004723600000000, -0.0003990200000000 ] - [ 0.0903308000000000, -0.0090059700000000, 0.0019110700000000 ] - [ -0.0040100800000000, -0.0069193900000000, 0.0110094600000000 ] - [ 0.0025780000000000, 0.0002121500000000, -0.0002248400000000 ] - [ -0.0023235300000000, 0.0005681700000000, 0.0012612600000000 ] - [ -0.0028517100000000, 0.0000566800000000, 0.0003420200000000 ] - [ -0.0012405700000000, 0.0001659600000000, -0.0000756300000000 ] - [ -0.0023129200000000, 0.0003010500000000, -0.0019926000000000 ] - [ -0.0022891100000000, 0.0008627300000000, 0.0032412400000000 ] - [ 0.0572993100000000, -0.0052877700000000, 0.0006097600000000 ] - [ -0.0054555200000000, 0.0002743200000000, 0.0015568100000000 ] - [ 0.0050037800000000, -0.0001091300000000, -0.0097097400000000 ] - [ -0.0003132200000000, -0.0003738500000000, -0.0002508400000000 ] - [ -0.0062634200000000, -0.0011689400000000, -0.0010551200000000 ] - [ -0.0002951600000000, -0.0003383700000000, -0.0059804700000000 ] - [ -0.0016232300000000, 0.0001826100000000, -0.0001525100000000 ] - [ 0.0012066700000000, -0.0005262000000000, 0.0000655400000000 ] - [ -0.0048915200000000, -0.0004866000000000, -0.0021543600000000 ]- atom: 16 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0041118300000000, -0.0003265300000000, -0.0002383600000000 ] - [ -0.0079086500000000, 0.0003060900000000, 0.0041753300000000 ] - [ -0.0142393600000000, -0.0087548900000000, -0.0075043600000000 ] - [ 0.0002682400000000, -0.0007312200000000, 0.0041490000000000 ] - [ -0.0044874000000000, 0.0000811700000000, -0.0001184600000000 ] - [ -0.0097421700000000, 0.0003742500000000, -0.0009803000000000 ] - [ -0.0007729900000000, -0.0003271100000000, -0.0034799500000000 ] - [ 0.0229793600000000, 0.0035609300000000, 0.0168857400000000 ] - [ 0.0270931600000000, 0.0041027300000000, -0.0205308600000000 ] - [ -0.0008162300000000, -0.0000968800000000, -0.0008990800000000 ] - [ -0.0046858900000000, -0.0001892100000000, 0.0003720500000000 ] - [ -0.0084849700000000, -0.0001234500000000, -0.0062157400000000 ] - [ -0.0021954300000000, 0.0008059300000000, 0.0020669200000000 ] - [ -0.0166314500000000, 0.0075602900000000, 0.0235675800000000 ] - [ 0.0013685100000000, -0.0025513400000000, -0.0050298600000000 ] - [ 0.2720471100000000, -0.0167187000000000, 0.0140150800000000 ] - [ -0.0012162700000000, 0.0006176700000000, 0.0004727000000000 ] - [ -0.0020599000000000, 0.0001309200000000, 0.0000427600000000 ] - [ -0.0073309100000000, 0.0043744900000000, -0.0160857000000000 ] - [ 0.0010453900000000, -0.0005480500000000, 0.0089941600000000 ] - [ -0.0054680000000000, -0.0011698000000000, 0.0000761500000000 ] - [ 0.0064900500000000, 0.0001363200000000, 0.0025081900000000 ] - [ -0.0098436700000000, -0.0009673100000000, -0.0011145600000000 ] - [ -0.0041884700000000, -0.0000855500000000, -0.0029359000000000 ] - [ -0.0021963100000000, -0.0004633600000000, -0.0009441000000000 ] - [ -0.0457772900000000, -0.0191759400000000, 0.0031024100000000 ] - [ 0.0004600700000000, 0.0001819900000000, 0.0001022800000000 ] - [ 0.0014840600000000, -0.0000142500000000, -0.0004150900000000 ] - [ -0.0043333500000000, 0.0006723800000000, 0.0018245200000000 ] - [ -0.0078922600000000, -0.0010086800000000, 0.0005511800000000 ] - [ 0.0065930700000000, 0.0030806800000000, 0.0001839300000000 ] - [ -0.0039401500000000, -0.0000951300000000, 0.0011196300000000 ] - [ -0.0017173400000000, -0.0004432200000000, 0.0004245600000000 ] - [ 0.0131566700000000, 0.0001397600000000, -0.0004143500000000 ] - [ -0.0001329600000000, -0.0001567300000000, -0.0007419600000000 ] - [ -0.0061244900000000, -0.0044147400000000, -0.0061358500000000 ] - [ 0.0046456500000000, 0.0000626500000000, -0.0019351000000000 ] - [ 0.0044584400000000, 0.0000298700000000, -0.0057112500000000 ] - [ 0.0022589700000000, 0.0000996500000000, -0.0008602700000000 ] - [ 0.0021929200000000, -0.0008330300000000, 0.0014883100000000 ] - [ -0.0039609000000000, -0.0010671500000000, -0.0039632000000000 ] - [ -0.0040998100000000, 0.0008426600000000, -0.0020311500000000 ] - [ -0.0017541700000000, -0.0000877000000000, -0.0007984200000000 ] - [ 0.0015002600000000, 0.0001390600000000, -0.0005860400000000 ] - [ -0.0490709000000000, 0.0052738300000000, 0.0053934300000000 ] - [ 0.0045701400000000, 0.0008851900000000, -0.0004419500000000 ] - [ 0.0058988700000000, 0.0096613100000000, 0.0088418300000000 ] - [ 0.0016046300000000, 0.0002081000000000, -0.0011534200000000 ] - [ -0.0000585900000000, -0.0009321700000000, -0.0049375700000000 ] - [ 0.0054870900000000, 0.0005778700000000, 0.0013234900000000 ] - [ 0.0042121300000000, 0.0004148800000000, 0.0006675000000000 ] - [ -0.0036305300000000, -0.0004740100000000, 0.0023988700000000 ] - [ 0.0016231300000000, 0.0001574500000000, 0.0008022800000000 ] - [ -0.0437362100000000, -0.0026923500000000, -0.0206285600000000 ] - [ 0.0009508000000000, -0.0002741300000000, 0.0021465200000000 ] - [ 0.0033408600000000, 0.0000027000000000, 0.0002877700000000 ] - [ 0.0068912700000000, -0.0016462200000000, -0.0007492100000000 ] - [ -0.0008766000000000, -0.0001338600000000, 0.0003686500000000 ] - [ 0.0015260000000000, -0.0000202600000000, 0.0002584800000000 ] - [ -0.0023632400000000, -0.0035040800000000, 0.0043488800000000 ] - [ -0.0010081200000000, -0.0001133000000000, 0.0023962100000000 ] - [ 0.0019453700000000, 0.0003051900000000, 0.0016568100000000 ] - [ 0.0030036800000000, -0.0005565700000000, 0.0001254000000000 ] - [ -0.0983767100000000, 0.0124337500000000, -0.0027180700000000 ] - [ 0.0040459800000000, 0.0067422000000000, -0.0112440600000000 ] - [ -0.0023611000000000, -0.0004790900000000, 0.0004959100000000 ] - [ 0.0023375100000000, -0.0009197700000000, -0.0012127000000000 ] - [ 0.0029762700000000, -0.0000706600000000, -0.0004362500000000 ] - [ 0.0013577500000000, -0.0001550700000000, 0.0001669800000000 ] - [ 0.0019603100000000, -0.0002246300000000, 0.0023983800000000 ] - [ 0.0020568600000000, -0.0006033100000000, -0.0035164000000000 ] - [ -0.0574718500000000, 0.0065473400000000, -0.0005348900000000 ] - [ 0.0056828000000000, -0.0000059800000000, -0.0012971300000000 ] - [ -0.0048507900000000, 0.0001796300000000, 0.0094830100000000 ] - [ -0.0001077100000000, 0.0002869600000000, -0.0001558200000000 ] - [ 0.0062599400000000, 0.0014981900000000, 0.0010038200000000 ] - [ 0.0002847900000000, 0.0005357100000000, 0.0060953600000000 ] - [ 0.0020654400000000, -0.0002741700000000, -0.0002560100000000 ] - [ -0.0012141400000000, 0.0001737000000000, -0.0001101800000000 ] - [ 0.0048919100000000, 0.0002461500000000, 0.0022800600000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006324700000000, 0.0000717900000000, 0.0000147400000000 ] - [ 0.0010825100000000, 0.0008042900000000, 0.0006634300000000 ] - [ -0.0092521100000000, 0.0277342200000000, 0.0000056700000000 ] - [ -0.0004194300000000, 0.0010841200000000, -0.0009845400000000 ] - [ -0.0000963500000000, 0.0000777600000000, -0.0000958700000000 ] - [ -0.0007561600000000, 0.0001867900000000, -0.0002703700000000 ] - [ 0.0000758700000000, 0.0012364400000000, -0.0003261900000000 ] - [ 0.0051558800000000, 0.0276288900000000, -0.0070592100000000 ] - [ 0.0032815700000000, 0.0297288600000000, 0.0080058500000000 ] - [ 0.0003968700000000, -0.0001020200000000, -0.0000013900000000 ] - [ 0.0004499700000000, -0.0000341800000000, -0.0000607700000000 ] - [ 0.0013542200000000, 0.0009772900000000, -0.0004307000000000 ] - [ 0.0004504300000000, -0.0001890600000000, -0.0002875400000000 ] - [ 0.0050721700000000, -0.0226259300000000, -0.0002912300000000 ] - [ -0.0001475100000000, 0.0000612200000000, 0.0003211300000000 ] - [ 0.0132642300000000, -0.3495545000000000, -0.0128492900000000 ] - [ 0.0000530200000000, -0.0002962000000000, -0.0002090800000000 ] - [ 0.0001972200000000, -0.0001575700000000, 0.0000903000000000 ] - [ 0.0042423500000000, -0.0132496100000000, 0.0099744700000000 ] - [ -0.0002654400000000, -0.0001784700000000, -0.0004255600000000 ] - [ -0.0001069600000000, -0.0005265600000000, 0.0004874600000000 ] - [ 0.0001970800000000, -0.0012939000000000, -0.0002349500000000 ] - [ -0.0003043300000000, -0.0000042800000000, -0.0010211800000000 ] - [ 0.0009361900000000, -0.0014160800000000, -0.0010732700000000 ] - [ 0.0003909400000000, -0.0001352900000000, -0.0000912000000000 ] - [ -0.0020282700000000, -0.0199079700000000, 0.0017483300000000 ] - [ -0.0002483000000000, -0.0003553400000000, 0.0001691700000000 ] - [ -0.0001322300000000, 0.0001235800000000, -0.0000834800000000 ] - [ 0.0019030300000000, -0.0007736600000000, -0.0002256700000000 ] - [ -0.0010752200000000, -0.0010592900000000, 0.0002494100000000 ] - [ -0.0013905400000000, -0.0014375300000000, -0.0002655700000000 ] - [ 0.0001626800000000, -0.0000905100000000, 0.0000627200000000 ] - [ 0.0002415700000000, 0.0002002200000000, 0.0002865800000000 ] - [ 0.0055642600000000, 0.0008251900000000, -0.0002388500000000 ] - [ -0.0001266700000000, -0.0001140100000000, 0.0002342600000000 ] - [ 0.0018430200000000, 0.0055295200000000, -0.0014295800000000 ] - [ 0.0003684100000000, 0.0001394700000000, -0.0004322900000000 ] - [ -0.0053719700000000, 0.0014343900000000, 0.0045350400000000 ] - [ -0.0003746100000000, 0.0000838100000000, -0.0001630200000000 ] - [ 0.0000375900000000, 0.0001513800000000, 0.0001695700000000 ] - [ 0.0004087600000000, 0.0007964400000000, 0.0003917400000000 ] - [ 0.0015502900000000, -0.0004910400000000, 0.0004456700000000 ] - [ 0.0002069600000000, -0.0002969200000000, -0.0005976800000000 ] - [ -0.0003135000000000, -0.0000399600000000, 0.0002688400000000 ] - [ 0.0002276900000000, 0.0482438600000000, -0.0070474500000000 ] - [ -0.0001487800000000, 0.0003315600000000, 0.0000264600000000 ] - [ -0.0046219600000000, 0.0050011600000000, -0.0000829800000000 ] - [ -0.0005141900000000, 0.0001093200000000, 0.0007561000000000 ] - [ -0.0025441200000000, -0.0014299000000000, -0.0008450600000000 ] - [ 0.0005970000000000, 0.0000599100000000, 0.0003885000000000 ] - [ -0.0002706100000000, 0.0001316600000000, 0.0003285300000000 ] - [ 0.0003542800000000, 0.0000237500000000, 0.0000696700000000 ] - [ -0.0002148000000000, -0.0001882600000000, -0.0000451700000000 ] - [ 0.0076277400000000, 0.0489185800000000, 0.0169165100000000 ] - [ -0.0005367400000000, -0.0002262500000000, -0.0000637500000000 ] - [ -0.0005949500000000, -0.0000908700000000, -0.0004441500000000 ] - [ 0.0014484100000000, 0.0057845100000000, -0.0025448800000000 ] - [ 0.0000010700000000, 0.0000596200000000, 0.0000245900000000 ] - [ 0.0000137400000000, -0.0000080500000000, 0.0000406800000000 ] - [ 0.0025874200000000, 0.0054226600000000, 0.0048549200000000 ] - [ 0.0000689400000000, 0.0001976400000000, -0.0000218800000000 ] - [ -0.0003523900000000, 0.0000489700000000, -0.0001849600000000 ] - [ -0.0000978300000000, 0.0000343700000000, -0.0002032000000000 ] - [ -0.0215577400000000, 0.0578690200000000, -0.0034402100000000 ] - [ -0.0019090800000000, 0.0037344700000000, -0.0014252000000000 ] - [ 0.0005713800000000, 0.0000039900000000, 0.0000188300000000 ] - [ -0.0003676800000000, 0.0002582700000000, 0.0000616600000000 ] - [ -0.0000715600000000, 0.0000660800000000, 0.0000166500000000 ] - [ -0.0001118500000000, 0.0000320300000000, 0.0001010900000000 ] - [ -0.0054554000000000, 0.0001325700000000, -0.0022884000000000 ] - [ -0.0006284600000000, -0.0000957900000000, 0.0004109300000000 ] - [ -0.0022764400000000, 0.1452174100000000, 0.0020758400000000 ] - [ 0.0009453500000000, -0.0001587600000000, -0.0000762600000000 ] - [ 0.0022959600000000, -0.0009018100000000, -0.0054706500000000 ] - [ -0.0000940200000000, -0.0000562100000000, -0.0000901100000000 ] - [ 0.0016601500000000, -0.0014745200000000, -0.0015944800000000 ] - [ -0.0018846300000000, -0.0015083500000000, 0.0002070200000000 ] - [ 0.0000043400000000, 0.0000083300000000, -0.0000941400000000 ] - [ 0.0000898000000000, -0.0002232300000000, 0.0000411300000000 ] - [ -0.0000850600000000, 0.0001264500000000, 0.0006479700000000 ]- atom: 16 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002244800000000, -0.0003419100000000, -0.0000648800000000 ] - [ -0.0006829900000000, -0.0005433800000000, -0.0006237800000000 ] - [ 0.0099358400000000, -0.0276682400000000, 0.0000296400000000 ] - [ 0.0008318500000000, -0.0013691400000000, 0.0010413400000000 ] - [ -0.0007660400000000, -0.0000788100000000, 0.0000974100000000 ] - [ 0.0003518500000000, 0.0000835000000000, 0.0002295000000000 ] - [ 0.0007884000000000, -0.0012542400000000, 0.0003294900000000 ] - [ -0.0056673300000000, -0.0275471100000000, 0.0073892900000000 ] - [ -0.0042838300000000, -0.0299022300000000, -0.0083281300000000 ] - [ 0.0000106900000000, -0.0001647900000000, -0.0000459900000000 ] - [ -0.0008587000000000, -0.0002351900000000, 0.0001038000000000 ] - [ -0.0005062400000000, -0.0009956100000000, 0.0004335200000000 ] - [ -0.0002939500000000, 0.0001938700000000, 0.0002848600000000 ] - [ -0.0049466400000000, 0.0227721800000000, 0.0003589000000000 ] - [ 0.0001534500000000, -0.0001573300000000, -0.0006826900000000 ] - [ -0.0139021000000000, 0.3639006400000000, 0.0131191800000000 ] - [ -0.0000541200000000, 0.0002002600000000, 0.0005618200000000 ] - [ -0.0002900200000000, -0.0000635500000000, 0.0001835600000000 ] - [ -0.0041653100000000, 0.0137015900000000, -0.0102780500000000 ] - [ 0.0002842100000000, -0.0001726700000000, 0.0005592200000000 ] - [ -0.0000561500000000, 0.0005329700000000, -0.0004898500000000 ] - [ -0.0002987100000000, 0.0010906500000000, -0.0000364400000000 ] - [ 0.0003050600000000, -0.0003518200000000, 0.0009167800000000 ] - [ -0.0009489100000000, 0.0015301300000000, 0.0007289800000000 ] - [ -0.0003106600000000, -0.0000852000000000, -0.0001843900000000 ] - [ 0.0020432300000000, 0.0202011300000000, -0.0013771000000000 ] - [ 0.0003428400000000, 0.0001339700000000, 0.0000945800000000 ] - [ 0.0001374600000000, 0.0002302500000000, -0.0000378300000000 ] - [ -0.0019192200000000, 0.0011370700000000, 0.0003500000000000 ] - [ 0.0011779200000000, 0.0012942900000000, 0.0000177900000000 ] - [ 0.0012399600000000, 0.0014498200000000, 0.0002602500000000 ] - [ -0.0002554100000000, 0.0003147000000000, -0.0003280300000000 ] - [ -0.0000467300000000, -0.0002837200000000, -0.0000002500000000 ] - [ -0.0061025400000000, -0.0007750200000000, -0.0001708100000000 ] - [ -0.0001177300000000, -0.0001801300000000, 0.0000182100000000 ] - [ -0.0020546500000000, -0.0056034300000000, 0.0012082300000000 ] - [ -0.0003691400000000, 0.0001830000000000, 0.0004329600000000 ] - [ 0.0051796500000000, -0.0017508500000000, -0.0048431900000000 ] - [ 0.0001851800000000, 0.0000004300000000, -0.0001099300000000 ] - [ -0.0000341900000000, -0.0004027700000000, -0.0000416700000000 ] - [ -0.0001716000000000, -0.0005151800000000, -0.0006480200000000 ] - [ -0.0014599500000000, 0.0005248300000000, -0.0005403700000000 ] - [ -0.0002143800000000, -0.0000258500000000, 0.0006110900000000 ] - [ 0.0001217200000000, -0.0000362800000000, 0.0000163300000000 ] - [ 0.0004213500000000, -0.0473390200000000, 0.0061579400000000 ] - [ 0.0000447900000000, -0.0003619300000000, 0.0000591800000000 ] - [ 0.0047058300000000, -0.0052340100000000, -0.0000039000000000 ] - [ 0.0005223900000000, 0.0001220300000000, -0.0008974000000000 ] - [ 0.0025629900000000, 0.0018441900000000, 0.0008641100000000 ] - [ -0.0004056400000000, 0.0000183700000000, -0.0001183100000000 ] - [ 0.0007343700000000, -0.0000573900000000, 0.0000739400000000 ] - [ 0.0000959800000000, -0.0000949700000000, 0.0003344700000000 ] - [ 0.0002190600000000, -0.0001366000000000, 0.0000503600000000 ] - [ -0.0071395900000000, -0.0484914600000000, -0.0159775100000000 ] - [ 0.0000838300000000, 0.0001603100000000, 0.0004682600000000 ] - [ 0.0008582600000000, -0.0001983300000000, 0.0001898000000000 ] - [ -0.0017551800000000, -0.0055185300000000, 0.0028006900000000 ] - [ -0.0001133500000000, -0.0000363500000000, 0.0000693100000000 ] - [ -0.0000119600000000, 0.0002549500000000, -0.0001638300000000 ] - [ -0.0027520600000000, -0.0054350600000000, -0.0050519000000000 ] - [ -0.0000704700000000, 0.0000319800000000, 0.0001601900000000 ] - [ 0.0002456300000000, -0.0000187900000000, 0.0000978300000000 ] - [ 0.0003019400000000, -0.0001117800000000, -0.0000810600000000 ] - [ 0.0208707300000000, -0.0576063200000000, 0.0029401800000000 ] - [ 0.0019384100000000, -0.0039797600000000, 0.0012597600000000 ] - [ -0.0003360700000000, -0.0002962900000000, 0.0002487300000000 ] - [ 0.0003746600000000, -0.0006609400000000, -0.0000584300000000 ] - [ 0.0001886000000000, -0.0000988300000000, -0.0001084100000000 ] - [ 0.0002237600000000, -0.0000030000000000, -0.0000070600000000 ] - [ 0.0050646100000000, -0.0000822200000000, 0.0027127400000000 ] - [ 0.0003814100000000, 0.0003849100000000, -0.0006709000000000 ] - [ 0.0027264800000000, -0.1604676600000000, -0.0018128000000000 ] - [ -0.0006977100000000, 0.0004523000000000, 0.0003344700000000 ] - [ -0.0021375300000000, 0.0009647300000000, 0.0052607800000000 ] - [ -0.0003614700000000, -0.0000142700000000, -0.0003102300000000 ] - [ -0.0016781800000000, 0.0018757800000000, 0.0015966800000000 ] - [ 0.0019042700000000, 0.0017773100000000, -0.0000765100000000 ] - [ 0.0004591500000000, -0.0000802200000000, -0.0003073600000000 ] - [ -0.0000915600000000, -0.0001750400000000, -0.0000521300000000 ] - [ 0.0000856900000000, -0.0003589500000000, -0.0005270500000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009049300000000, 0.0001898600000000, 0.0072007000000000 ] - [ -0.0021527900000000, -0.0002283200000000, -0.0024658400000000 ] - [ 0.0104610500000000, 0.0050634200000000, -0.0300391600000000 ] - [ -0.0026418900000000, -0.0005018000000000, 0.0084500600000000 ] - [ 0.0016520600000000, -0.0001204400000000, 0.0022837300000000 ] - [ 0.0001138900000000, 0.0001445600000000, -0.0031800900000000 ] - [ 0.0045947700000000, 0.0006961700000000, 0.0096118900000000 ] - [ -0.0210402200000000, 0.0096686000000000, 0.0062798000000000 ] - [ 0.0189266500000000, -0.0079853400000000, 0.0072620500000000 ] - [ 0.0004042300000000, -0.0000610500000000, 0.0024459200000000 ] - [ -0.0019213300000000, -0.0002383900000000, 0.0020649800000000 ] - [ 0.0029728900000000, 0.0001689400000000, -0.0012681600000000 ] - [ -0.0005594600000000, 0.0003582900000000, 0.0018650800000000 ] - [ -0.0289554000000000, 0.0156920200000000, 0.0205850100000000 ] - [ 0.0029573100000000, -0.0008876000000000, 0.0025596300000000 ] - [ -0.0167199800000000, -0.0158283900000000, -0.2519171100000000 ] - [ 0.0002027300000000, -0.0002577900000000, 0.0042797000000000 ] - [ 0.0000517500000000, -0.0000567100000000, 0.0016135000000000 ] - [ 0.0161216400000000, -0.0098879100000000, 0.0331147200000000 ] - [ -0.0053291900000000, -0.0001273200000000, -0.0002426600000000 ] - [ -0.0007827100000000, 0.0002791900000000, -0.0013067100000000 ] - [ 0.0025830000000000, -0.0001937500000000, 0.0088934900000000 ] - [ -0.0040900700000000, -0.0011495600000000, -0.0062917000000000 ] - [ 0.0068922000000000, -0.0039950800000000, -0.0026820000000000 ] - [ 0.0008423200000000, -0.0000564100000000, 0.0006182400000000 ] - [ 0.0015510800000000, 0.0017953700000000, -0.0053065400000000 ] - [ 0.0000164900000000, -0.0001426800000000, 0.0058009900000000 ] - [ -0.0013223000000000, -0.0002442600000000, 0.0030108300000000 ] - [ -0.0051831200000000, 0.0010804000000000, 0.0024992400000000 ] - [ 0.0004682100000000, 0.0002241500000000, -0.0018433300000000 ] - [ -0.0031742000000000, -0.0020085700000000, 0.0082134300000000 ] - [ 0.0012108900000000, -0.0000911800000000, -0.0009229300000000 ] - [ -0.0004823600000000, 0.0005489300000000, -0.0051286500000000 ] - [ -0.0015898100000000, -0.0002140900000000, 0.0011481100000000 ] - [ -0.0001182100000000, -0.0004948400000000, -0.0014387300000000 ] - [ 0.0000429400000000, -0.0039196800000000, -0.0083918600000000 ] - [ -0.0004066700000000, 0.0003394900000000, 0.0016310200000000 ] - [ 0.0082565200000000, -0.0008779000000000, -0.0077012600000000 ] - [ -0.0001718200000000, 0.0001079300000000, -0.0005048800000000 ] - [ -0.0030672400000000, 0.0009262000000000, -0.0009571600000000 ] - [ 0.0031183600000000, -0.0008587300000000, -0.0040263100000000 ] - [ -0.0012488600000000, 0.0010790900000000, -0.0057829400000000 ] - [ 0.0006117600000000, -0.0001585700000000, -0.0063229400000000 ] - [ 0.0001435900000000, -0.0000988800000000, -0.0010572600000000 ] - [ -0.0013854000000000, 0.0025900800000000, 0.0492864700000000 ] - [ -0.0003015700000000, -0.0001450200000000, 0.0017961400000000 ] - [ -0.0039855500000000, 0.0012388400000000, 0.0037696800000000 ] - [ 0.0015801400000000, -0.0003955200000000, -0.0039157200000000 ] - [ 0.0038703900000000, 0.0002136500000000, 0.0006088000000000 ] - [ 0.0001360700000000, 0.0000052600000000, 0.0012371100000000 ] - [ -0.0025773700000000, -0.0001961000000000, 0.0008590000000000 ] - [ -0.0024906200000000, 0.0004302700000000, -0.0030281200000000 ] - [ -0.0002885900000000, -0.0000350300000000, -0.0013478700000000 ] - [ 0.0209922400000000, 0.0089344000000000, 0.0769972800000000 ] - [ -0.0016253600000000, -0.0002528900000000, -0.0005609200000000 ] - [ 0.0020370900000000, 0.0000327700000000, 0.0003303100000000 ] - [ 0.0086633500000000, -0.0068896900000000, 0.0101928200000000 ] - [ 0.0001156900000000, -0.0001018100000000, -0.0044882900000000 ] - [ -0.0015293200000000, 0.0015873900000000, -0.0031479800000000 ] - [ -0.0044635200000000, 0.0076927900000000, -0.0047583500000000 ] - [ -0.0004652500000000, 0.0005325000000000, -0.0028991200000000 ] - [ -0.0002866900000000, 0.0000499900000000, -0.0007396500000000 ] - [ 0.0001193100000000, 0.0000130000000000, -0.0000124800000000 ] - [ 0.0012971300000000, -0.0015807600000000, 0.0462981300000000 ] - [ 0.0036713400000000, -0.0021684800000000, 0.0049763400000000 ] - [ 0.0023855100000000, -0.0012888100000000, -0.0044194700000000 ] - [ 0.0023504900000000, -0.0009482000000000, -0.0011454700000000 ] - [ -0.0001723800000000, 0.0001580900000000, 0.0005508500000000 ] - [ -0.0000809700000000, -0.0000217400000000, -0.0014163200000000 ] - [ -0.0140444600000000, 0.0006402000000000, -0.0052742400000000 ] - [ 0.0018488700000000, 0.0004732900000000, -0.0010516600000000 ] - [ 0.0005686800000000, -0.0001888100000000, 0.0585398400000000 ] - [ 0.0010708700000000, -0.0001745600000000, 0.0016746800000000 ] - [ 0.0024934500000000, -0.0000586000000000, -0.0117079100000000 ] - [ -0.0002988100000000, -0.0002844400000000, -0.0031099300000000 ] - [ 0.0007435300000000, 0.0016036200000000, 0.0036030400000000 ] - [ -0.0029163100000000, -0.0001348100000000, -0.0008432400000000 ] - [ 0.0000964400000000, -0.0000610200000000, -0.0018152100000000 ] - [ -0.0000365800000000, 0.0004628700000000, -0.0017265700000000 ] - [ -0.0012354600000000, 0.0005899000000000, 0.0040340800000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0013273500000000, -0.0004507700000000, -0.0072617200000000 ] - [ 0.0025638800000000, 0.0004867600000000, 0.0024988500000000 ] - [ -0.0101520200000000, -0.0048370700000000, 0.0299433800000000 ] - [ 0.0030799300000000, 0.0002216000000000, -0.0083882100000000 ] - [ -0.0025156100000000, 0.0001197500000000, -0.0022870400000000 ] - [ -0.0005203000000000, 0.0001147000000000, 0.0031207900000000 ] - [ -0.0037085900000000, -0.0007033000000000, -0.0096105900000000 ] - [ 0.0205674500000000, -0.0093942200000000, -0.0062671700000000 ] - [ -0.0199030400000000, 0.0080147000000000, -0.0071912500000000 ] - [ -0.0000050100000000, -0.0001935400000000, -0.0024956200000000 ] - [ 0.0015165000000000, -0.0000201500000000, -0.0020073200000000 ] - [ -0.0020949000000000, -0.0001684500000000, 0.0012968900000000 ] - [ 0.0007131100000000, -0.0003566300000000, -0.0018755800000000 ] - [ 0.0294096500000000, -0.0155738200000000, -0.0206981500000000 ] - [ -0.0029744500000000, 0.0007990400000000, -0.0029080800000000 ] - [ 0.0101488100000000, 0.0101963000000000, 0.2487556800000000 ] - [ -0.0001967400000000, 0.0001636200000000, -0.0039287800000000 ] - [ -0.0001387600000000, -0.0001627400000000, -0.0013368200000000 ] - [ -0.0158055300000000, 0.0103785800000000, -0.0331188100000000 ] - [ 0.0052976700000000, -0.0002350600000000, 0.0003492100000000 ] - [ 0.0006242500000000, -0.0002756600000000, 0.0013143900000000 ] - [ -0.0026911200000000, -0.0000078700000000, -0.0092185600000000 ] - [ 0.0040907700000000, 0.0007992100000000, 0.0061685600000000 ] - [ -0.0068895700000000, 0.0040986600000000, 0.0023316500000000 ] - [ -0.0007626500000000, -0.0001611900000000, -0.0008896900000000 ] - [ -0.0014466100000000, -0.0016607200000000, 0.0056444600000000 ] - [ 0.0000820200000000, -0.0000788100000000, -0.0055383100000000 ] - [ 0.0013165000000000, 0.0006004800000000, -0.0031305600000000 ] - [ 0.0051767100000000, -0.0007145500000000, -0.0023697600000000 ] - [ -0.0003608100000000, 0.0000040000000000, 0.0021077300000000 ] - [ 0.0030220500000000, 0.0020162100000000, -0.0081926600000000 ] - [ -0.0012958300000000, 0.0003122100000000, 0.0006512400000000 ] - [ 0.0006702800000000, -0.0006286200000000, 0.0054082600000000 ] - [ 0.0010620700000000, 0.0002625000000000, -0.0015493600000000 ] - [ -0.0001139200000000, 0.0001962500000000, 0.0016867800000000 ] - [ -0.0002681500000000, 0.0038945700000000, 0.0081449000000000 ] - [ 0.0004016300000000, -0.0000246700000000, -0.0016250700000000 ] - [ -0.0084299300000000, 0.0005517700000000, 0.0073824300000000 ] - [ -0.0000156600000000, -0.0000272600000000, 0.0002348900000000 ] - [ 0.0030656300000000, -0.0011666000000000, 0.0010774100000000 ] - [ -0.0028653900000000, 0.0011545900000000, 0.0037581000000000 ] - [ 0.0013533600000000, -0.0010673700000000, 0.0057016400000000 ] - [ -0.0006192600000000, -0.0001590000000000, 0.0063406800000000 ] - [ -0.0003315300000000, 0.0000270200000000, 0.0013394700000000 ] - [ 0.0032772300000000, -0.0008461200000000, -0.0518954500000000 ] - [ 0.0001900800000000, 0.0001188800000000, -0.0017070600000000 ] - [ 0.0039551300000000, -0.0014821500000000, -0.0039281700000000 ] - [ -0.0015771100000000, 0.0006185500000000, 0.0037715800000000 ] - [ -0.0038563100000000, 0.0001614800000000, -0.0005857700000000 ] - [ 0.0000467900000000, 0.0000668400000000, -0.0009660700000000 ] - [ 0.0030307900000000, 0.0002513700000000, -0.0004560300000000 ] - [ 0.0029563600000000, -0.0004799800000000, 0.0034369100000000 ] - [ 0.0002901200000000, -0.0002841400000000, 0.0013484900000000 ] - [ -0.0178219900000000, -0.0060204200000000, -0.0708687800000000 ] - [ 0.0011787100000000, 0.0002032000000000, 0.0009546800000000 ] - [ -0.0017872200000000, -0.0003257600000000, -0.0005842800000000 ] - [ -0.0089160500000000, 0.0072026700000000, -0.0099434300000000 ] - [ -0.0002287700000000, 0.0001198900000000, 0.0045776100000000 ] - [ 0.0015251100000000, -0.0013536900000000, 0.0030337500000000 ] - [ 0.0043192500000000, -0.0076416900000000, 0.0046272400000000 ] - [ 0.0004701200000000, -0.0003104500000000, 0.0030313100000000 ] - [ 0.0001780400000000, -0.0000237500000000, 0.0006455500000000 ] - [ 0.0000758900000000, -0.0000835400000000, -0.0002707700000000 ] - [ -0.0000498600000000, 0.0014139700000000, -0.0466371700000000 ] - [ -0.0036778900000000, 0.0019432000000000, -0.0050709900000000 ] - [ -0.0021483000000000, 0.0009922800000000, 0.0046743300000000 ] - [ -0.0023522500000000, 0.0005580400000000, 0.0011537600000000 ] - [ 0.0002852400000000, -0.0001846000000000, -0.0006372500000000 ] - [ 0.0001912500000000, 0.0000477100000000, 0.0015065000000000 ] - [ 0.0136353300000000, -0.0006114200000000, 0.0056712500000000 ] - [ -0.0020890500000000, -0.0001793000000000, 0.0008058100000000 ] - [ -0.0003106600000000, 0.0015186800000000, -0.0583567500000000 ] - [ -0.0008244000000000, 0.0004657800000000, -0.0014171000000000 ] - [ -0.0023609700000000, 0.0000945200000000, 0.0114689300000000 ] - [ -0.0001589900000000, 0.0002304900000000, 0.0027083800000000 ] - [ -0.0007383300000000, -0.0012405000000000, -0.0036265100000000 ] - [ 0.0029302900000000, 0.0003632800000000, 0.0009519500000000 ] - [ 0.0003580600000000, 0.0000079900000000, 0.0014117200000000 ] - [ 0.0000433300000000, -0.0008446600000000, 0.0017070600000000 ] - [ 0.0012314700000000, -0.0008111000000000, -0.0039035100000000 ]- atom: 20 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0042664200000000, 0.0002313200000000, 0.0072587500000000 ] - [ 0.0054944200000000, 0.0165395300000000, 0.0265981700000000 ] - [ 0.0067318800000000, 0.0005502700000000, -0.0038548600000000 ] - [ 0.0035530600000000, -0.0003416400000000, 0.0017520700000000 ] - [ 0.0111031700000000, 0.0000966500000000, -0.0023616700000000 ] - [ 0.0063236600000000, -0.0002890000000000, 0.0037801700000000 ] - [ 0.0119882400000000, -0.0000865100000000, 0.0023811700000000 ] - [ 0.0049216900000000, -0.0163747500000000, -0.0266557100000000 ] - [ -0.0035867600000000, 0.0002095100000000, -0.0014953300000000 ] - [ -0.0038653700000000, -0.0004806700000000, -0.0072988800000000 ] - [ 0.0031419600000000, 0.0000863400000000, -0.0016897300000000 ] - [ -0.0026750200000000, -0.0002046900000000, 0.0015211600000000 ] - [ 0.0278356700000000, -0.0183434600000000, -0.0311241000000000 ] - [ 0.0019096400000000, -0.0003073000000000, -0.0008749600000000 ] - [ -0.0023739000000000, -0.0000509600000000, -0.0001644800000000 ] - [ -0.0011028300000000, -0.0001647700000000, -0.0051927900000000 ] - [ 0.0048681900000000, -0.0000544700000000, 0.0001783900000000 ] - [ 0.0042753300000000, -0.0020288400000000, -0.0050428300000000 ] - [ 0.0099384800000000, 0.0004100400000000, -0.0042373500000000 ] - [ -0.2798822200000000, 0.0032398400000000, -0.0036904500000000 ] - [ 0.0017584700000000, 0.0003088000000000, 0.0008750400000000 ] - [ -0.0015266500000000, 0.0000246000000000, 0.0011893900000000 ] - [ 0.0031123000000000, -0.0001795400000000, -0.0000621200000000 ] - [ 0.0073796200000000, 0.0000483100000000, -0.0001779400000000 ] - [ -0.0014308300000000, -0.0002449700000000, -0.0014522200000000 ] - [ -0.0035472400000000, 0.0000253300000000, 0.0002277400000000 ] - [ 0.0043699800000000, 0.0017938300000000, 0.0053137400000000 ] - [ -0.0176841600000000, 0.0001820700000000, -0.0000613900000000 ] - [ 0.0022988400000000, 0.0001798300000000, 0.0000602600000000 ] - [ -0.0009671500000000, 0.0003851300000000, 0.0054310700000000 ] - [ 0.0280032900000000, 0.0182284400000000, 0.0313961100000000 ] - [ 0.0098027100000000, -0.0002003400000000, 0.0039468800000000 ] - [ -0.0096945000000000, -0.0005791200000000, -0.0101716600000000 ] - [ 0.0036487800000000, -0.0017662900000000, -0.0027041400000000 ] - [ 0.0070137800000000, 0.0054739200000000, 0.0134051200000000 ] - [ -0.0003567000000000, 0.0001405000000000, -0.0002914800000000 ] - [ -0.0041403300000000, -0.0001666800000000, -0.0047139600000000 ] - [ -0.0017149300000000, 0.0000791200000000, 0.0003916000000000 ] - [ -0.0120604300000000, 0.0054918500000000, -0.0004447000000000 ] - [ -0.0059348000000000, -0.0001033400000000, 0.0000483100000000 ] - [ 0.0705767800000000, -0.0131004300000000, 0.0266518200000000 ] - [ 0.0003779300000000, 0.0000277300000000, -0.0007618700000000 ] - [ -0.0002809900000000, -0.0001340100000000, -0.0030576200000000 ] - [ -0.0099473700000000, 0.0005259600000000, 0.0105223100000000 ] - [ -0.0008315800000000, -0.0001816900000000, 0.0021342700000000 ] - [ 0.0002077500000000, -0.0001166400000000, -0.0026070000000000 ] - [ 0.0016121700000000, -0.0001119200000000, -0.0000946500000000 ] - [ -0.0021820800000000, 0.0001106500000000, -0.0000775400000000 ] - [ 0.0607027200000000, -0.0006374200000000, 0.0001868000000000 ] - [ -0.0006485200000000, 0.0002555500000000, -0.0018534300000000 ] - [ -0.0065243900000000, -0.0004305000000000, -0.0006162800000000 ] - [ 0.0021706400000000, -0.0006197500000000, -0.0000913100000000 ] - [ -0.0002768700000000, -0.0001777600000000, 0.0030606300000000 ] - [ -0.0041462900000000, 0.0004704700000000, 0.0047426700000000 ] - [ 0.0017414700000000, 0.0005722400000000, 0.0004838600000000 ] - [ -0.0014732200000000, -0.0003818700000000, -0.0006507000000000 ] - [ -0.0021580600000000, -0.0004790100000000, 0.0002886200000000 ] - [ -0.0017146000000000, -0.0008904100000000, -0.0023753900000000 ] - [ -0.0049488200000000, 0.0001034900000000, -0.0000517100000000 ] - [ -0.0061993800000000, 0.0016688800000000, 0.0028542400000000 ] - [ 0.0047364200000000, 0.0001103800000000, 0.0000641300000000 ] - [ 0.0002753900000000, -0.0000031000000000, 0.0006653200000000 ] - [ -0.0001602900000000, -0.0002154500000000, 0.0000119000000000 ] - [ 0.0041230500000000, 0.0018249800000000, 0.0022740200000000 ] - [ 0.0463532800000000, -0.0000433300000000, 0.0001096400000000 ] - [ 0.0072462500000000, -0.0058316600000000, -0.0132031100000000 ] - [ -0.0023305500000000, -0.0001796800000000, 0.0000033700000000 ] - [ -0.0060894600000000, -0.0016745600000000, -0.0029399200000000 ] - [ -0.0016099600000000, 0.0009174300000000, 0.0024581600000000 ] - [ -0.0069606300000000, 0.0004861300000000, 0.0010259000000000 ] - [ 0.0646812400000000, 0.0110326800000000, -0.0236753000000000 ] - [ 0.0003234700000000, 0.0000949600000000, 0.0027032400000000 ] - [ -0.0019201600000000, 0.0007815900000000, -0.0000185100000000 ] - [ -0.0119395500000000, -0.0054711400000000, 0.0001586600000000 ] - [ -0.0050577700000000, -0.0007993300000000, -0.0015954000000000 ] - [ -0.0038188100000000, 0.0001766600000000, -0.0000030900000000 ] - [ 0.0022998000000000, 0.0001017200000000, 0.0000423800000000 ] - [ -0.0046355800000000, 0.0007496300000000, 0.0011859900000000 ] - [ 0.0094158400000000, -0.0001804200000000, -0.0000241700000000 ] - [ -0.0036521900000000, -0.0001089700000000, 0.0000767000000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002737000000000, 0.0011661700000000, -0.0002325500000000 ] - [ -0.0101082100000000, 0.0404475600000000, -0.0013843000000000 ] - [ 0.0010337400000000, 0.0001959700000000, -0.0003728900000000 ] - [ 0.0000114500000000, -0.0000505700000000, -0.0004607400000000 ] - [ 0.0001125300000000, 0.0002997800000000, 0.0012003900000000 ] - [ -0.0010337400000000, 0.0001959700000000, -0.0003728900000000 ] - [ -0.0001125300000000, 0.0002997800000000, 0.0012003900000000 ] - [ 0.0101082100000000, 0.0404475600000000, -0.0013843000000000 ] - [ -0.0020033300000000, 0.0008830900000000, -0.0007725900000000 ] - [ 0.0002737000000000, 0.0011661700000000, -0.0002325500000000 ] - [ -0.0000114500000000, -0.0000505700000000, -0.0004607400000000 ] - [ 0.0020033300000000, 0.0008830900000000, -0.0007725900000000 ] - [ -0.0013119500000000, -0.0150752100000000, -0.0047839100000000 ] - [ 0.0001747100000000, -0.0001125700000000, -0.0006900800000000 ] - [ 0.0000000000000000, -0.0004236200000000, -0.0001639100000000 ] - [ 0.0003279800000000, 0.0001134700000000, 0.0001903000000000 ] - [ 0.0000000000000000, -0.0004665700000000, 0.0002444500000000 ] - [ 0.0004351000000000, -0.0010846700000000, -0.0007743000000000 ] - [ -0.0007446400000000, 0.0002882300000000, 0.0008412300000000 ] - [ 0.0000000000000000, -0.3948720200000000, 0.0271304400000000 ] - [ -0.0001747100000000, -0.0001125700000000, -0.0006900800000000 ] - [ -0.0002454500000000, -0.0001746600000000, -0.0005523000000000 ] - [ 0.0000000000000000, -0.0002780500000000, -0.0001906200000000 ] - [ 0.0000000000000000, -0.0002040900000000, 0.0001557400000000 ] - [ 0.0002454500000000, -0.0001746600000000, -0.0005523000000000 ] - [ 0.0000000000000000, -0.0191004600000000, 0.0114954900000000 ] - [ -0.0004351000000000, -0.0010846700000000, -0.0007743000000000 ] - [ 0.0000000000000000, -0.0027857500000000, 0.0006823500000000 ] - [ 0.0000000000000000, 0.0001146800000000, -0.0002494600000000 ] - [ -0.0003279800000000, 0.0001134700000000, 0.0001903000000000 ] - [ 0.0013119500000000, -0.0150752100000000, -0.0047839100000000 ] - [ 0.0007446400000000, 0.0002882300000000, 0.0008412300000000 ] - [ 0.0031925000000000, 0.0006480600000000, 0.0032001200000000 ] - [ -0.0009656200000000, 0.0048584200000000, 0.0018284400000000 ] - [ 0.0015376100000000, 0.0035366600000000, -0.0003005000000000 ] - [ 0.0000892700000000, 0.0000134000000000, 0.0003879200000000 ] - [ 0.0004201500000000, 0.0004076600000000, -0.0002808400000000 ] - [ -0.0002108800000000, -0.0002017400000000, 0.0002255800000000 ] - [ -0.0022222000000000, 0.0055324800000000, -0.0011720300000000 ] - [ 0.0000000000000000, 0.0001879700000000, -0.0004867500000000 ] - [ -0.0186401500000000, 0.0513025100000000, -0.0072964200000000 ] - [ 0.0001595300000000, -0.0000182200000000, 0.0001483500000000 ] - [ -0.0000238200000000, -0.0000896200000000, 0.0006673400000000 ] - [ -0.0031925000000000, 0.0006480600000000, 0.0032001200000000 ] - [ -0.0004288700000000, -0.0003569900000000, 0.0007175600000000 ] - [ -0.0003093900000000, -0.0012231000000000, 0.0024121000000000 ] - [ 0.0000000000000000, -0.0021970500000000, -0.0079266600000000 ] - [ 0.0000000000000000, 0.0001966500000000, 0.0001592600000000 ] - [ 0.0000000000000000, 0.1981020200000000, -0.0083732300000000 ] - [ 0.0004288700000000, -0.0003569900000000, 0.0007175600000000 ] - [ 0.0005454500000000, -0.0002977500000000, -0.0000543200000000 ] - [ 0.0004272100000000, 0.0000501800000000, 0.0002216700000000 ] - [ 0.0000238200000000, -0.0000896200000000, 0.0006673400000000 ] - [ -0.0004201500000000, 0.0004076600000000, -0.0002808400000000 ] - [ -0.0004272100000000, 0.0000501800000000, 0.0002216700000000 ] - [ 0.0002108800000000, -0.0002017400000000, 0.0002255800000000 ] - [ -0.0001064000000000, 0.0000620500000000, 0.0004262500000000 ] - [ -0.0000044100000000, 0.0001589400000000, 0.0000756400000000 ] - [ 0.0000000000000000, 0.0001963000000000, -0.0002391300000000 ] - [ -0.0015367200000000, -0.0017318800000000, -0.0021362800000000 ] - [ 0.0000000000000000, 0.0000605300000000, -0.0000678200000000 ] - [ -0.0001595300000000, -0.0000182200000000, 0.0001483500000000 ] - [ -0.0000892700000000, 0.0000134000000000, 0.0003879200000000 ] - [ 0.0009656200000000, 0.0048584200000000, 0.0018284400000000 ] - [ 0.0000000000000000, 0.0421744200000000, -0.0068651400000000 ] - [ -0.0015376100000000, 0.0035366600000000, -0.0003005000000000 ] - [ 0.0000000000000000, -0.0000847600000000, 0.0002049500000000 ] - [ 0.0015367200000000, -0.0017318800000000, -0.0021362800000000 ] - [ 0.0000044100000000, 0.0001589400000000, 0.0000756400000000 ] - [ -0.0005454500000000, -0.0002977500000000, -0.0000543200000000 ] - [ 0.0186401500000000, 0.0513025100000000, -0.0072964200000000 ] - [ 0.0003093900000000, -0.0012231000000000, 0.0024121000000000 ] - [ 0.0001064000000000, 0.0000620500000000, 0.0004262500000000 ] - [ 0.0022222000000000, 0.0055324800000000, -0.0011720300000000 ] - [ 0.0003251400000000, 0.0000251600000000, -0.0000299400000000 ] - [ 0.0000000000000000, 0.0002895100000000, 0.0001127600000000 ] - [ 0.0000000000000000, 0.0001427900000000, 0.0002796800000000 ] - [ -0.0003251400000000, 0.0000251600000000, -0.0000299400000000 ] - [ 0.0000000000000000, -0.0000049000000000, 0.0016472100000000 ] - [ 0.0000000000000000, -0.0001931600000000, -0.0000474400000000 ]- atom: 20 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001209900000000, -0.0014087500000000, 0.0001903600000000 ] - [ 0.0100791900000000, -0.0399890700000000, 0.0011989000000000 ] - [ -0.0006291800000000, 0.0000632300000000, 0.0003260200000000 ] - [ 0.0003902700000000, -0.0002067400000000, 0.0005043100000000 ] - [ -0.0009715700000000, -0.0002884700000000, -0.0011891700000000 ] - [ 0.0006291800000000, 0.0000632300000000, 0.0003260200000000 ] - [ 0.0009715700000000, -0.0002884700000000, -0.0011891700000000 ] - [ -0.0100791900000000, -0.0399890700000000, 0.0011989000000000 ] - [ 0.0011202400000000, -0.0008666500000000, 0.0007679800000000 ] - [ 0.0001209900000000, -0.0014087500000000, 0.0001903600000000 ] - [ -0.0003902700000000, -0.0002067400000000, 0.0005043100000000 ] - [ -0.0011202400000000, -0.0008666500000000, 0.0007679800000000 ] - [ 0.0015119900000000, 0.0148578200000000, 0.0047604600000000 ] - [ -0.0000100300000000, 0.0001098100000000, 0.0006862700000000 ] - [ 0.0000000000000000, 0.0003048100000000, -0.0001906200000000 ] - [ -0.0004126400000000, 0.0001111300000000, 0.0000939100000000 ] - [ 0.0000000000000000, 0.0003455300000000, 0.0001164500000000 ] - [ -0.0005331500000000, 0.0008342600000000, 0.0010316000000000 ] - [ 0.0008380900000000, -0.0000672800000000, -0.0011178500000000 ] - [ 0.0000000000000000, 0.3785065700000000, -0.0238691500000000 ] - [ 0.0000100300000000, 0.0001098100000000, 0.0006862700000000 ] - [ 0.0001463600000000, -0.0000593300000000, 0.0002802900000000 ] - [ 0.0000000000000000, -0.0000890400000000, 0.0000723500000000 ] - [ 0.0000000000000000, 0.0003155400000000, -0.0005156100000000 ] - [ -0.0001463600000000, -0.0000593300000000, 0.0002802900000000 ] - [ 0.0000000000000000, 0.0190405600000000, -0.0111433800000000 ] - [ 0.0005331500000000, 0.0008342600000000, 0.0010316000000000 ] - [ 0.0000000000000000, 0.0031241600000000, -0.0008116400000000 ] - [ 0.0000000000000000, 0.0002524300000000, 0.0003661500000000 ] - [ 0.0004126400000000, 0.0001111300000000, 0.0000939100000000 ] - [ -0.0015119900000000, 0.0148578200000000, 0.0047604600000000 ] - [ -0.0008380900000000, -0.0000672800000000, -0.0011178500000000 ] - [ -0.0029367900000000, -0.0007103700000000, -0.0028481200000000 ] - [ 0.0005632500000000, -0.0047480900000000, -0.0021809300000000 ] - [ -0.0017583500000000, -0.0037786200000000, 0.0005421300000000 ] - [ -0.0002898700000000, -0.0000936800000000, -0.0006671300000000 ] - [ -0.0004188500000000, -0.0000770600000000, 0.0002751100000000 ] - [ -0.0000365400000000, -0.0000765800000000, -0.0004894900000000 ] - [ 0.0020761400000000, -0.0054504800000000, 0.0008812900000000 ] - [ 0.0000000000000000, -0.0003977600000000, 0.0005778300000000 ] - [ 0.0197607700000000, -0.0511271000000000, 0.0073703300000000 ] - [ -0.0000473400000000, 0.0000292500000000, -0.0002371700000000 ] - [ 0.0000186500000000, -0.0002379000000000, -0.0006564800000000 ] - [ 0.0029367900000000, -0.0007103700000000, -0.0028481200000000 ] - [ 0.0002222500000000, 0.0004350000000000, -0.0004314000000000 ] - [ 0.0001997500000000, 0.0012045100000000, -0.0023050800000000 ] - [ 0.0000000000000000, 0.0019872300000000, 0.0077187500000000 ] - [ 0.0000000000000000, 0.0000527200000000, -0.0002991300000000 ] - [ 0.0000000000000000, -0.1807400100000000, 0.0061868600000000 ] - [ -0.0002222500000000, 0.0004350000000000, -0.0004314000000000 ] - [ -0.0001007200000000, 0.0003979800000000, 0.0004628900000000 ] - [ 0.0000114700000000, -0.0001445000000000, 0.0001816000000000 ] - [ -0.0000186500000000, -0.0002379000000000, -0.0006564800000000 ] - [ 0.0004188500000000, -0.0000770600000000, 0.0002751100000000 ] - [ -0.0000114700000000, -0.0001445000000000, 0.0001816000000000 ] - [ 0.0000365400000000, -0.0000765800000000, -0.0004894900000000 ] - [ -0.0001393500000000, 0.0002154800000000, -0.0001549500000000 ] - [ -0.0001111300000000, -0.0001466900000000, 0.0000137900000000 ] - [ 0.0000000000000000, 0.0000149200000000, 0.0001442500000000 ] - [ 0.0014230400000000, 0.0017146600000000, 0.0020284800000000 ] - [ 0.0000000000000000, 0.0001839500000000, 0.0002025000000000 ] - [ 0.0000473400000000, 0.0000292500000000, -0.0002371700000000 ] - [ 0.0002898700000000, -0.0000936800000000, -0.0006671300000000 ] - [ -0.0005632500000000, -0.0047480900000000, -0.0021809300000000 ] - [ 0.0000000000000000, -0.0431140700000000, 0.0055508000000000 ] - [ 0.0017583500000000, -0.0037786200000000, 0.0005421300000000 ] - [ 0.0000000000000000, -0.0002505900000000, -0.0001793000000000 ] - [ -0.0014230400000000, 0.0017146600000000, 0.0020284800000000 ] - [ 0.0001111300000000, -0.0001466900000000, 0.0000137900000000 ] - [ 0.0001007200000000, 0.0003979800000000, 0.0004628900000000 ] - [ -0.0197607700000000, -0.0511271000000000, 0.0073703300000000 ] - [ -0.0001997500000000, 0.0012045100000000, -0.0023050800000000 ] - [ 0.0001393500000000, 0.0002154800000000, -0.0001549500000000 ] - [ -0.0020761400000000, -0.0054504800000000, 0.0008812900000000 ] - [ -0.0007586100000000, -0.0001221300000000, -0.0003750200000000 ] - [ 0.0000000000000000, 0.0000422600000000, -0.0001373800000000 ] - [ 0.0000000000000000, 0.0000662000000000, -0.0001869400000000 ] - [ 0.0007586100000000, -0.0001221300000000, -0.0003750200000000 ] - [ 0.0000000000000000, -0.0003398900000000, -0.0016755200000000 ] - [ 0.0000000000000000, -0.0000527700000000, 0.0001868700000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0038608700000000, 0.0005318500000000, 0.0073950200000000 ] - [ 0.0237901500000000, 0.0030443600000000, -0.0233296200000000 ] - [ -0.0026980000000000, -0.0000044600000000, -0.0026319300000000 ] - [ 0.0005902000000000, -0.0002497800000000, 0.0030715100000000 ] - [ -0.0030713500000000, -0.0001952800000000, -0.0014234000000000 ] - [ 0.0026980000000000, -0.0000044600000000, -0.0026319300000000 ] - [ 0.0030713500000000, -0.0001952800000000, -0.0014234000000000 ] - [ -0.0237901500000000, 0.0030443600000000, -0.0233296200000000 ] - [ -0.0050135400000000, 0.0005950600000000, 0.0087578100000000 ] - [ -0.0038608700000000, 0.0005318500000000, 0.0073950200000000 ] - [ -0.0005902000000000, -0.0002497800000000, 0.0030715100000000 ] - [ 0.0050135400000000, 0.0005950600000000, 0.0087578100000000 ] - [ -0.0208681200000000, 0.0045224500000000, 0.0128567900000000 ] - [ -0.0016643000000000, 0.0007132600000000, 0.0024983800000000 ] - [ 0.0000000000000000, 0.0000633800000000, 0.0068709500000000 ] - [ -0.0089351200000000, -0.0003769800000000, -0.0001603100000000 ] - [ 0.0000000000000000, 0.0005791300000000, 0.0011411400000000 ] - [ -0.0018244700000000, 0.0001580200000000, 0.0025577700000000 ] - [ 0.0011159300000000, 0.0010863800000000, -0.0063526900000000 ] - [ 0.0000000000000000, 0.0278317900000000, -0.2089155900000000 ] - [ 0.0016643000000000, 0.0007132600000000, 0.0024983800000000 ] - [ -0.0004027600000000, -0.0001450600000000, 0.0029401800000000 ] - [ 0.0000000000000000, -0.0000609700000000, -0.0010978800000000 ] - [ 0.0000000000000000, 0.0002546600000000, -0.0021107900000000 ] - [ 0.0004027600000000, -0.0001450600000000, 0.0029401800000000 ] - [ 0.0000000000000000, -0.0112897800000000, 0.0379464000000000 ] - [ 0.0018244700000000, 0.0001580200000000, 0.0025577700000000 ] - [ 0.0000000000000000, 0.0009437700000000, 0.0117880600000000 ] - [ 0.0000000000000000, 0.0005015100000000, 0.0016898500000000 ] - [ 0.0089351200000000, -0.0003769800000000, -0.0001603100000000 ] - [ 0.0208681200000000, 0.0045224500000000, 0.0128567900000000 ] - [ -0.0011159300000000, 0.0010863800000000, -0.0063526900000000 ] - [ -0.0035757200000000, 0.0002176300000000, -0.0021457600000000 ] - [ -0.0088599100000000, 0.0050666900000000, -0.0056699000000000 ] - [ 0.0017154700000000, -0.0029609700000000, -0.0058025700000000 ] - [ 0.0003989300000000, 0.0003336500000000, -0.0024644900000000 ] - [ -0.0035315700000000, -0.0004543800000000, 0.0036555400000000 ] - [ 0.0007254800000000, 0.0002844500000000, -0.0018042200000000 ] - [ 0.0050970400000000, -0.0043915600000000, 0.0041608400000000 ] - [ 0.0000000000000000, -0.0009959500000000, 0.0014301300000000 ] - [ 0.0171805400000000, 0.0032900200000000, 0.0594583600000000 ] - [ 0.0003324600000000, 0.0000051000000000, -0.0033014600000000 ] - [ -0.0003605400000000, -0.0006625800000000, -0.0030323400000000 ] - [ 0.0035757200000000, 0.0002176300000000, -0.0021457600000000 ] - [ 0.0034178500000000, -0.0000873800000000, -0.0014343000000000 ] - [ -0.0050187000000000, -0.0010442400000000, -0.0008006400000000 ] - [ 0.0000000000000000, -0.0037153200000000, -0.0137955300000000 ] - [ 0.0000000000000000, -0.0000860100000000, -0.0016091700000000 ] - [ 0.0000000000000000, -0.0240335000000000, 0.0489794200000000 ] - [ -0.0034178500000000, -0.0000873800000000, -0.0014343000000000 ] - [ 0.0003284800000000, 0.0001853600000000, 0.0020832500000000 ] - [ 0.0003922600000000, 0.0002099200000000, -0.0034200200000000 ] - [ 0.0003605400000000, -0.0006625800000000, -0.0030323400000000 ] - [ 0.0035315700000000, -0.0004543800000000, 0.0036555400000000 ] - [ -0.0003922600000000, 0.0002099200000000, -0.0034200200000000 ] - [ -0.0007254800000000, 0.0002844500000000, -0.0018042200000000 ] - [ 0.0007737600000000, -0.0000056200000000, -0.0000482500000000 ] - [ -0.0015786400000000, -0.0002471100000000, -0.0011665100000000 ] - [ 0.0000000000000000, 0.0003210600000000, -0.0002294800000000 ] - [ -0.0021111700000000, 0.0010820400000000, 0.0043429800000000 ] - [ 0.0000000000000000, 0.0003397700000000, -0.0062278300000000 ] - [ -0.0003324600000000, 0.0000051000000000, -0.0033014600000000 ] - [ -0.0003989300000000, 0.0003336500000000, -0.0024644900000000 ] - [ 0.0088599100000000, 0.0050666900000000, -0.0056699000000000 ] - [ 0.0000000000000000, -0.0112625300000000, 0.0372269100000000 ] - [ -0.0017154700000000, -0.0029609700000000, -0.0058025700000000 ] - [ 0.0000000000000000, -0.0005850400000000, -0.0008428200000000 ] - [ 0.0021111700000000, 0.0010820400000000, 0.0043429800000000 ] - [ 0.0015786400000000, -0.0002471100000000, -0.0011665100000000 ] - [ -0.0003284800000000, 0.0001853600000000, 0.0020832500000000 ] - [ -0.0171805400000000, 0.0032900200000000, 0.0594583600000000 ] - [ 0.0050187000000000, -0.0010442400000000, -0.0008006400000000 ] - [ -0.0007737600000000, -0.0000056200000000, -0.0000482500000000 ] - [ -0.0050970400000000, -0.0043915600000000, 0.0041608400000000 ] - [ -0.0011300700000000, -0.0000198200000000, -0.0009729300000000 ] - [ 0.0000000000000000, -0.0000493300000000, 0.0000822800000000 ] - [ 0.0000000000000000, -0.0017535200000000, -0.0048774000000000 ] - [ 0.0011300700000000, -0.0000198200000000, -0.0009729300000000 ] - [ 0.0000000000000000, 0.0016561700000000, -0.0049674600000000 ] - [ 0.0000000000000000, 0.0003786600000000, 0.0018846100000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0042136600000000, -0.0007846100000000, -0.0074161800000000 ] - [ -0.0233173200000000, -0.0026957200000000, 0.0235513700000000 ] - [ 0.0030957900000000, 0.0002758700000000, 0.0026023000000000 ] - [ -0.0001857700000000, -0.0000195600000000, -0.0030290400000000 ] - [ 0.0022294300000000, 0.0001994400000000, 0.0014068200000000 ] - [ -0.0030957900000000, 0.0002758700000000, 0.0026023000000000 ] - [ -0.0022294300000000, 0.0001994400000000, 0.0014068200000000 ] - [ 0.0233173200000000, -0.0026957200000000, 0.0235513700000000 ] - [ 0.0041482300000000, -0.0005745300000000, -0.0087526900000000 ] - [ 0.0042136600000000, -0.0007846100000000, -0.0074161800000000 ] - [ 0.0001857700000000, -0.0000195600000000, -0.0030290400000000 ] - [ -0.0041482300000000, -0.0005745300000000, -0.0087526900000000 ] - [ 0.0207676700000000, -0.0045991700000000, -0.0129678100000000 ] - [ 0.0018356400000000, -0.0007163700000000, -0.0024923400000000 ] - [ 0.0000000000000000, -0.0001876500000000, -0.0072065500000000 ] - [ 0.0088780800000000, 0.0005989100000000, 0.0004404800000000 ] - [ 0.0000000000000000, -0.0006977400000000, -0.0007862600000000 ] - [ 0.0017164000000000, -0.0004081800000000, -0.0023016700000000 ] - [ -0.0010259900000000, -0.0008609100000000, 0.0060969900000000 ] - [ 0.0000000000000000, -0.0230471800000000, 0.2132830200000000 ] - [ -0.0018356400000000, -0.0007163700000000, -0.0024923400000000 ] - [ 0.0003129700000000, -0.0000917900000000, -0.0032073800000000 ] - [ 0.0000000000000000, -0.0003122300000000, 0.0009828200000000 ] - [ 0.0000000000000000, -0.0001346400000000, 0.0017493200000000 ] - [ -0.0003129700000000, -0.0000917900000000, -0.0032073800000000 ] - [ 0.0000000000000000, 0.0111728400000000, -0.0379953700000000 ] - [ -0.0017164000000000, -0.0004081800000000, -0.0023016700000000 ] - [ 0.0000000000000000, -0.0005619100000000, -0.0117705200000000 ] - [ 0.0000000000000000, -0.0001259700000000, -0.0015676400000000 ] - [ -0.0088780800000000, 0.0005989100000000, 0.0004404800000000 ] - [ -0.0207676700000000, -0.0045991700000000, -0.0129678100000000 ] - [ 0.0010259900000000, -0.0008609100000000, 0.0060969900000000 ] - [ 0.0038056600000000, -0.0002901400000000, 0.0025011000000000 ] - [ 0.0084681100000000, -0.0050001500000000, 0.0052994800000000 ] - [ -0.0019000600000000, 0.0026909400000000, 0.0060640200000000 ] - [ -0.0006012900000000, -0.0004214600000000, 0.0021830600000000 ] - [ 0.0035399100000000, 0.0007794600000000, -0.0036727600000000 ] - [ -0.0009684400000000, -0.0005451500000000, 0.0015420400000000 ] - [ -0.0053014900000000, 0.0044873300000000, -0.0044250200000000 ] - [ 0.0000000000000000, 0.0007607300000000, -0.0013123400000000 ] - [ -0.0157250600000000, -0.0036805500000000, -0.0591088200000000 ] - [ -0.0002241000000000, 0.0000183700000000, 0.0032062200000000 ] - [ 0.0003463900000000, 0.0003338500000000, 0.0030430900000000 ] - [ -0.0038056600000000, -0.0002901400000000, 0.0025011000000000 ] - [ -0.0036226100000000, 0.0001767800000000, 0.0017086000000000 ] - [ 0.0049186800000000, 0.0010361500000000, 0.0008757400000000 ] - [ 0.0000000000000000, 0.0034724900000000, 0.0135155500000000 ] - [ 0.0000000000000000, 0.0003421100000000, 0.0014785400000000 ] - [ 0.0000000000000000, 0.0229090300000000, -0.0486599200000000 ] - [ 0.0036226100000000, 0.0001767800000000, 0.0017086000000000 ] - [ 0.0001080700000000, -0.0000754500000000, -0.0016758600000000 ] - [ 0.0000433700000000, -0.0003096500000000, 0.0038144800000000 ] - [ -0.0003463900000000, 0.0003338500000000, 0.0030430900000000 ] - [ -0.0035399100000000, 0.0007794600000000, -0.0036727600000000 ] - [ -0.0000433700000000, -0.0003096500000000, 0.0038144800000000 ] - [ 0.0009684400000000, -0.0005451500000000, 0.0015420400000000 ] - [ -0.0010169000000000, 0.0002686800000000, 0.0003059400000000 ] - [ 0.0014489200000000, 0.0002714800000000, 0.0012642600000000 ] - [ 0.0000000000000000, -0.0000906900000000, 0.0001218500000000 ] - [ 0.0020145700000000, -0.0010952300000000, -0.0044391700000000 ] - [ 0.0000000000000000, -0.0000895000000000, 0.0063358700000000 ] - [ 0.0002241000000000, 0.0000183700000000, 0.0032062200000000 ] - [ 0.0006012900000000, -0.0004214600000000, 0.0021830600000000 ] - [ -0.0084681100000000, -0.0050001500000000, 0.0052994800000000 ] - [ 0.0000000000000000, 0.0088543100000000, -0.0430176600000000 ] - [ 0.0019000600000000, 0.0026909400000000, 0.0060640200000000 ] - [ 0.0000000000000000, 0.0002116900000000, 0.0008733400000000 ] - [ -0.0020145700000000, -0.0010952300000000, -0.0044391700000000 ] - [ -0.0014489200000000, 0.0002714800000000, 0.0012642600000000 ] - [ -0.0001080700000000, -0.0000754500000000, -0.0016758600000000 ] - [ 0.0157250600000000, -0.0036805500000000, -0.0591088200000000 ] - [ -0.0049186800000000, 0.0010361500000000, 0.0008757400000000 ] - [ 0.0010169000000000, 0.0002686800000000, 0.0003059400000000 ] - [ 0.0053014900000000, 0.0044873300000000, -0.0044250200000000 ] - [ 0.0006886100000000, -0.0000812500000000, 0.0005709300000000 ] - [ 0.0000000000000000, 0.0004129500000000, -0.0001203800000000 ] - [ 0.0000000000000000, 0.0019822300000000, 0.0049805700000000 ] - [ -0.0006886100000000, -0.0000812500000000, 0.0005709300000000 ] - [ 0.0000000000000000, -0.0020125800000000, 0.0048974000000000 ] - [ 0.0000000000000000, -0.0006330700000000, -0.0017579900000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0183467400000000, 0.0005956200000000, 0.0108905100000000 ] - [ -0.0046999400000000, -0.0001894700000000, -0.0017976700000000 ] - [ 0.0023483700000000, 0.0002186900000000, 0.0009311700000000 ] - [ 0.0034545400000000, 0.0017241900000000, -0.0077454500000000 ] - [ -0.0080169000000000, -0.0001302700000000, 0.0021885000000000 ] - [ -0.0026468800000000, 0.0001733100000000, 0.0003289600000000 ] - [ 0.0180591000000000, -0.0046984700000000, 0.0039176900000000 ] - [ 0.0060438400000000, -0.0026171400000000, -0.0069597100000000 ] - [ 0.0019761500000000, 0.0001483000000000, -0.0001839900000000 ] - [ -0.0079927200000000, -0.0000322100000000, 0.0025791000000000 ] - [ -0.0057250300000000, 0.0000034700000000, -0.0013755800000000 ] - [ -0.0014524900000000, 0.0000122200000000, 0.0000558900000000 ] - [ -0.0052049200000000, -0.0006568600000000, -0.0005933500000000 ] - [ 0.0020494600000000, 0.0000823800000000, -0.0014622800000000 ] - [ 0.0001705400000000, -0.0017590400000000, 0.0039398000000000 ] - [ 0.0017553600000000, 0.0002578400000000, -0.0004414200000000 ] - [ -0.0114945100000000, -0.0084273500000000, 0.0005524100000000 ] - [ -0.0054483000000000, -0.0006169100000000, 0.0001784100000000 ] - [ 0.0061207900000000, -0.0018428300000000, -0.0000019700000000 ] - [ -0.0098222000000000, 0.0028722400000000, -0.0036402500000000 ] - [ -0.0021913600000000, 0.0003453400000000, -0.0008666400000000 ] - [ 0.0048418600000000, -0.0023120300000000, -0.0025368300000000 ] - [ -0.0002547300000000, -0.0003742600000000, 0.0004446800000000 ] - [ -0.0014500200000000, -0.0014345900000000, 0.0033693300000000 ] - [ -0.0023068600000000, -0.0003937500000000, -0.0002175300000000 ] - [ 0.0001179100000000, 0.0012096800000000, -0.0023349200000000 ] - [ 0.0503214300000000, 0.0002760500000000, 0.0033318700000000 ] - [ -0.0119978300000000, -0.0019766500000000, 0.0051382200000000 ] - [ -0.0007349500000000, -0.0001413600000000, -0.0034687000000000 ] - [ -0.0015456200000000, 0.0003329000000000, -0.0001011900000000 ] - [ 0.0569760000000000, -0.0136824000000000, 0.0119342900000000 ] - [ -0.0029574600000000, -0.0000861100000000, -0.0001533800000000 ] - [ -0.1955149200000000, 0.0481291600000000, -0.0779385800000000 ] - [ 0.0010106800000000, -0.0000949600000000, 0.0004981600000000 ] - [ 0.0059295600000000, -0.0000697700000000, 0.0011865900000000 ] - [ -0.0018030300000000, 0.0002891600000000, 0.0011221900000000 ] - [ 0.0017202600000000, 0.0004187800000000, -0.0001672600000000 ] - [ -0.0012728400000000, -0.0009625200000000, 0.0019123600000000 ] - [ 0.0030836600000000, -0.0004442700000000, 0.0003293600000000 ] - [ 0.0034791400000000, 0.0014776200000000, -0.0033798700000000 ] - [ 0.0224546900000000, -0.0046563800000000, 0.0267963700000000 ] - [ -0.0043456300000000, 0.0015743800000000, -0.0010226400000000 ] - [ -0.0171073200000000, 0.0014103700000000, 0.0111391800000000 ] - [ 0.0042982000000000, 0.0005212300000000, -0.0006844200000000 ] - [ -0.0016561000000000, 0.0001780400000000, 0.0009176100000000 ] - [ 0.0011745500000000, -0.0001342500000000, 0.0003967100000000 ] - [ -0.0001304700000000, 0.0003522800000000, 0.0009742400000000 ] - [ 0.0025996200000000, 0.0027499400000000, 0.0046046900000000 ] - [ 0.0022609500000000, -0.0023643900000000, 0.0024366600000000 ] - [ 0.0015001800000000, 0.0001036900000000, 0.0006214100000000 ] - [ 0.0025905800000000, 0.0002917700000000, -0.0008401600000000 ] - [ -0.0026757600000000, -0.0003800100000000, -0.0010829200000000 ] - [ 0.0030057500000000, -0.0003775600000000, 0.0005128700000000 ] - [ -0.0026433700000000, 0.0009224200000000, 0.0001856000000000 ] - [ 0.0015432700000000, 0.0001510200000000, -0.0009568500000000 ] - [ 0.0019959600000000, -0.0002797400000000, 0.0014843600000000 ] - [ -0.0006454900000000, 0.0001066100000000, 0.0004826400000000 ] - [ -0.0071806000000000, 0.0085625000000000, 0.0088813900000000 ] - [ 0.0059793800000000, 0.0009035800000000, 0.0002070900000000 ] - [ -0.0046396400000000, -0.0001199200000000, -0.0041183100000000 ] - [ 0.0035365100000000, 0.0008612400000000, -0.0044233500000000 ] - [ 0.0018881300000000, 0.0000969700000000, -0.0004843600000000 ] - [ 0.0018355400000000, -0.0000015000000000, -0.0001119100000000 ] - [ -0.0010199400000000, 0.0001214200000000, 0.0007040300000000 ] - [ 0.0021263000000000, 0.0002392800000000, 0.0045843600000000 ] - [ 0.0291386800000000, -0.0335964100000000, -0.0072559700000000 ] - [ 0.0016679900000000, -0.0001007500000000, 0.0019276800000000 ] - [ 0.0023944300000000, 0.0001057500000000, -0.0007746600000000 ] - [ 0.0036804000000000, 0.0003904000000000, 0.0003773600000000 ] - [ -0.0025261000000000, -0.0017864600000000, -0.0032157500000000 ] - [ 0.0038662600000000, 0.0003427400000000, -0.0001061300000000 ] - [ -0.0014735800000000, -0.0002164500000000, 0.0005008200000000 ] - [ 0.0009733400000000, 0.0000962600000000, 0.0002115800000000 ] - [ -0.0163426100000000, 0.0001800700000000, 0.0002676900000000 ] - [ 0.0436557000000000, 0.0072286900000000, 0.0244668400000000 ] - [ 0.0002956400000000, 0.0004366200000000, -0.0000420200000000 ] - [ -0.0001320200000000, -0.0004529700000000, -0.0013732000000000 ] - [ 0.0077832500000000, -0.0001530800000000, -0.0001581400000000 ] - [ 0.0066293300000000, 0.0015732200000000, -0.0038044400000000 ] - [ 0.0003721600000000, -0.0005043400000000, -0.0016888500000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0190084000000000, -0.0010380800000000, -0.0108398700000000 ] - [ 0.0050979200000000, 0.0004569900000000, 0.0018577400000000 ] - [ -0.0019225300000000, 0.0000402200000000, -0.0009831200000000 ] - [ -0.0029807500000000, -0.0019790900000000, 0.0077955700000000 ] - [ 0.0071361700000000, 0.0001281300000000, -0.0021766200000000 ] - [ 0.0022495800000000, 0.0000909200000000, -0.0003735000000000 ] - [ -0.0165004200000000, 0.0040994800000000, -0.0041903400000000 ] - [ -0.0065079000000000, 0.0029167300000000, 0.0070068700000000 ] - [ -0.0028572400000000, -0.0001500100000000, 0.0001937400000000 ] - [ 0.0083948000000000, -0.0002191800000000, -0.0026416200000000 ] - [ 0.0053226200000000, -0.0002632400000000, 0.0014111300000000 ] - [ 0.0023035800000000, -0.0000116300000000, -0.0000536000000000 ] - [ 0.0053599200000000, 0.0006534000000000, 0.0005887400000000 ] - [ -0.0018665700000000, -0.0000747600000000, 0.0014712400000000 ] - [ -0.0001857100000000, 0.0016652700000000, -0.0042932900000000 ] - [ -0.0018573200000000, -0.0000426500000000, 0.0007128100000000 ] - [ 0.0114828500000000, 0.0082892000000000, -0.0002107300000000 ] - [ 0.0053489300000000, 0.0003985100000000, 0.0000887400000000 ] - [ -0.0059510300000000, 0.0020448200000000, -0.0003120400000000 ] - [ 0.0098149200000000, -0.0032443100000000, 0.0037475000000000 ] - [ 0.0020295500000000, -0.0003440800000000, 0.0008661400000000 ] - [ -0.0050034700000000, 0.0021333100000000, 0.0023189800000000 ] - [ 0.0002627700000000, 0.0000151000000000, -0.0005633800000000 ] - [ 0.0014481600000000, 0.0015279000000000, -0.0036945300000000 ] - [ 0.0023863400000000, 0.0001787700000000, -0.0000615500000000 ] - [ -0.0001306700000000, -0.0011160600000000, 0.0026907700000000 ] - [ -0.0489536900000000, 0.0004724900000000, -0.0013171600000000 ] - [ 0.0120003300000000, 0.0023098000000000, -0.0052686500000000 ] - [ 0.0007472400000000, 0.0004985100000000, 0.0035795600000000 ] - [ 0.0016353400000000, -0.0001145700000000, 0.0003712100000000 ] - [ -0.0593092700000000, 0.0159206300000000, -0.0141698400000000 ] - [ 0.0028636500000000, 0.0003028200000000, -0.0001053300000000 ] - [ 0.1962803800000000, -0.0509220900000000, 0.0787796600000000 ] - [ -0.0014514300000000, 0.0001508100000000, -0.0009077800000000 ] - [ -0.0061684000000000, -0.0002181100000000, -0.0009409000000000 ] - [ 0.0016041200000000, -0.0003632000000000, -0.0014459300000000 ] - [ -0.0017164300000000, -0.0001005700000000, 0.0001578000000000 ] - [ 0.0010095100000000, 0.0006776600000000, -0.0021611200000000 ] - [ -0.0032675600000000, 0.0005285700000000, -0.0005994500000000 ] - [ -0.0034651000000000, -0.0017075800000000, 0.0034867700000000 ] - [ -0.0224914800000000, 0.0050411100000000, -0.0274676500000000 ] - [ 0.0044656400000000, -0.0015573500000000, 0.0009305600000000 ] - [ 0.0170118700000000, -0.0017524900000000, -0.0115241900000000 ] - [ -0.0044806900000000, -0.0005956800000000, 0.0009592900000000 ] - [ 0.0014644400000000, -0.0001072100000000, -0.0006437400000000 ] - [ -0.0012821300000000, 0.0001056700000000, -0.0003117700000000 ] - [ 0.0001358700000000, -0.0005890300000000, -0.0010986900000000 ] - [ -0.0026065900000000, -0.0025027500000000, -0.0047161200000000 ] - [ -0.0022566400000000, 0.0027654000000000, -0.0024162600000000 ] - [ -0.0013106900000000, -0.0000246200000000, -0.0003522900000000 ] - [ -0.0021408800000000, -0.0002333800000000, 0.0012354700000000 ] - [ 0.0031364500000000, 0.0003229200000000, 0.0014823800000000 ] - [ -0.0029995600000000, 0.0000575700000000, -0.0005025300000000 ] - [ 0.0026409700000000, -0.0005953400000000, -0.0001578600000000 ] - [ -0.0019830800000000, -0.0002037700000000, 0.0013601500000000 ] - [ -0.0017422100000000, -0.0000054400000000, -0.0017314000000000 ] - [ 0.0003837100000000, 0.0001751900000000, -0.0002330000000000 ] - [ 0.0068982000000000, -0.0086509900000000, -0.0088240000000000 ] - [ -0.0059535200000000, -0.0006540100000000, -0.0003194800000000 ] - [ 0.0044749800000000, 0.0000807600000000, 0.0040670700000000 ] - [ -0.0035112000000000, -0.0006151700000000, 0.0045743300000000 ] - [ -0.0019963000000000, -0.0000615300000000, 0.0003989400000000 ] - [ -0.0016423400000000, -0.0000742800000000, -0.0001602400000000 ] - [ 0.0014670600000000, -0.0000646000000000, -0.0011089600000000 ] - [ -0.0021344100000000, -0.0004715500000000, -0.0047579200000000 ] - [ -0.0292038700000000, 0.0339038800000000, 0.0075228300000000 ] - [ -0.0016781500000000, -0.0002972900000000, -0.0019003900000000 ] - [ -0.0022769300000000, -0.0001421000000000, 0.0006761200000000 ] - [ -0.0035660600000000, -0.0003554700000000, -0.0002802400000000 ] - [ 0.0020522400000000, 0.0018182900000000, 0.0035747800000000 ] - [ -0.0041222600000000, -0.0000616300000000, -0.0001463000000000 ] - [ 0.0015811400000000, 0.0001829100000000, -0.0004102400000000 ] - [ -0.0007214300000000, 0.0001882100000000, 0.0000412600000000 ] - [ 0.0165077900000000, -0.0004631700000000, -0.0002221300000000 ] - [ -0.0432518600000000, -0.0072045100000000, -0.0242585200000000 ] - [ -0.0003033700000000, -0.0000506200000000, 0.0000202300000000 ] - [ 0.0001367600000000, 0.0006935400000000, 0.0014981400000000 ] - [ -0.0073062200000000, 0.0000980800000000, -0.0002437300000000 ] - [ -0.0066925300000000, -0.0019657700000000, 0.0038203800000000 ] - [ -0.0003775100000000, 0.0002754500000000, 0.0018110900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0036813300000000, -0.0045794200000000, -0.0012234400000000 ] - [ 0.0008582500000000, 0.0000399400000000, 0.0001602200000000 ] - [ -0.0006016500000000, -0.0003188100000000, -0.0004452900000000 ] - [ -0.0005409600000000, -0.0002839400000000, -0.0007531700000000 ] - [ 0.0011548900000000, 0.0000596900000000, 0.0000085000000000 ] - [ -0.0000129400000000, 0.0001235100000000, -0.0003832500000000 ] - [ -0.0066247400000000, 0.0041860500000000, 0.0039497700000000 ] - [ 0.0012548700000000, -0.0027875100000000, 0.0001395300000000 ] - [ -0.0002449200000000, 0.0000767300000000, 0.0006080000000000 ] - [ 0.0003422900000000, -0.0004918800000000, -0.0006178700000000 ] - [ -0.0004280900000000, -0.0000713400000000, 0.0004334000000000 ] - [ 0.0005206800000000, -0.0000016300000000, 0.0001539400000000 ] - [ 0.0008083700000000, 0.0005486300000000, 0.0006393500000000 ] - [ -0.0000382700000000, 0.0000692100000000, -0.0000859600000000 ] - [ -0.0001780500000000, 0.0000630200000000, 0.0000460900000000 ] - [ 0.0003464400000000, 0.0003628700000000, 0.0007168000000000 ] - [ -0.0005496900000000, -0.0008972300000000, 0.0014685800000000 ] - [ 0.0004835800000000, -0.0000970400000000, 0.0001543100000000 ] - [ -0.0043217700000000, 0.0057032600000000, 0.0037750900000000 ] - [ -0.0005748600000000, 0.0005099900000000, 0.0003122900000000 ] - [ -0.0001136800000000, 0.0000531400000000, -0.0000844600000000 ] - [ 0.0000630700000000, -0.0010292100000000, -0.0001768200000000 ] - [ -0.0001776700000000, -0.0001282000000000, -0.0004383200000000 ] - [ -0.0000563600000000, 0.0008877300000000, -0.0014909200000000 ] - [ -0.0000036600000000, -0.0000767500000000, -0.0000571600000000 ] - [ 0.0002929700000000, 0.0001722700000000, 0.0003829300000000 ] - [ -0.0042696600000000, 0.0479968700000000, -0.0010296100000000 ] - [ 0.0054653800000000, 0.0056853700000000, -0.0045004700000000 ] - [ -0.0002154200000000, -0.0002114600000000, 0.0001988500000000 ] - [ 0.0002347400000000, 0.0001194200000000, 0.0000591800000000 ] - [ -0.0175023000000000, 0.0664078100000000, -0.0125240000000000 ] - [ 0.0004579300000000, 0.0001948500000000, -0.0001684300000000 ] - [ 0.0502567600000000, -0.1998589400000000, 0.0185768500000000 ] - [ -0.0004189300000000, 0.0000581500000000, -0.0002900500000000 ] - [ -0.0029793800000000, -0.0006049400000000, 0.0002346900000000 ] - [ -0.0004347700000000, 0.0003583200000000, 0.0001190100000000 ] - [ -0.0002433800000000, 0.0001107300000000, 0.0001183800000000 ] - [ -0.0000024300000000, -0.0003878300000000, -0.0000128400000000 ] - [ -0.0005882300000000, 0.0000810900000000, -0.0002857500000000 ] - [ -0.0012775200000000, -0.0016393300000000, 0.0013038600000000 ] - [ 0.0054568300000000, -0.0068752700000000, 0.0040565900000000 ] - [ -0.0011974900000000, 0.0002210100000000, -0.0008769200000000 ] - [ 0.0025204900000000, -0.0072617400000000, 0.0012337300000000 ] - [ -0.0006652200000000, -0.0003488100000000, 0.0001510500000000 ] - [ 0.0000376000000000, 0.0001957200000000, -0.0002874500000000 ] - [ -0.0001691600000000, -0.0000075100000000, 0.0000469900000000 ] - [ -0.0001177500000000, -0.0001760900000000, -0.0001731000000000 ] - [ 0.0002919200000000, -0.0002850900000000, -0.0011827300000000 ] - [ -0.0003887100000000, -0.0003475200000000, -0.0002015300000000 ] - [ 0.0000409800000000, 0.0000538700000000, 0.0001583000000000 ] - [ -0.0001971500000000, -0.0001548900000000, 0.0005667000000000 ] - [ 0.0000621200000000, -0.0002542000000000, -0.0000152800000000 ] - [ -0.0001549800000000, -0.0001085800000000, -0.0001094100000000 ] - [ 0.0004878800000000, -0.0008101800000000, -0.0026475500000000 ] - [ -0.0001185100000000, 0.0000389900000000, 0.0000758600000000 ] - [ 0.0002414000000000, -0.0000349600000000, -0.0001089500000000 ] - [ 0.0001149800000000, 0.0000885900000000, 0.0003577700000000 ] - [ 0.0084444500000000, 0.0423137900000000, 0.0132426300000000 ] - [ -0.0018923300000000, 0.0022668100000000, -0.0029195000000000 ] - [ 0.0000741100000000, -0.0010427600000000, 0.0032049300000000 ] - [ 0.0015500900000000, 0.0018299900000000, 0.0019735100000000 ] - [ -0.0000401900000000, -0.0000435800000000, -0.0000837700000000 ] - [ 0.0001439200000000, -0.0000465200000000, -0.0001632400000000 ] - [ -0.0000189100000000, -0.0000241300000000, -0.0004340900000000 ] - [ -0.0002683300000000, 0.0002147000000000, 0.0002776100000000 ] - [ -0.0310220800000000, 0.0237629700000000, 0.0071264300000000 ] - [ 0.0008222400000000, 0.0002112300000000, 0.0000227600000000 ] - [ -0.0003058800000000, -0.0000136300000000, 0.0001443800000000 ] - [ -0.0003844300000000, 0.0000309700000000, -0.0001304600000000 ] - [ 0.0018736200000000, 0.0008726700000000, 0.0011917300000000 ] - [ -0.0001312200000000, 0.0000291600000000, -0.0002037700000000 ] - [ 0.0002588300000000, -0.0000972500000000, -0.0002130200000000 ] - [ 0.0001112500000000, 0.0000922100000000, 0.0002860000000000 ] - [ -0.0002273100000000, 0.0331425900000000, -0.0341169100000000 ] - [ -0.0025882500000000, -0.0063981900000000, 0.0002278200000000 ] - [ 0.0000845700000000, 0.0001584700000000, 0.0001006800000000 ] - [ 0.0000284900000000, 0.0000206000000000, -0.0000620100000000 ] - [ -0.0003406000000000, 0.0002366000000000, -0.0006383700000000 ] - [ 0.0011255900000000, -0.0017834200000000, 0.0003844500000000 ] - [ -0.0000024400000000, -0.0000698300000000, 0.0007463300000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0031331200000000, 0.0041404800000000, 0.0014077800000000 ] - [ -0.0004630800000000, 0.0002296300000000, -0.0001120700000000 ] - [ 0.0010100500000000, 0.0005834500000000, 0.0004045100000000 ] - [ 0.0009403900000000, -0.0000161200000000, 0.0007925800000000 ] - [ -0.0020352900000000, -0.0000594800000000, -0.0000145700000000 ] - [ -0.0003949600000000, 0.0001464200000000, 0.0003385300000000 ] - [ 0.0079664100000000, -0.0044978500000000, -0.0041463700000000 ] - [ -0.0016299200000000, 0.0030384300000000, -0.0000898600000000 ] - [ -0.0006292300000000, -0.0000800400000000, -0.0006088400000000 ] - [ 0.0000683900000000, 0.0002220200000000, 0.0005696500000000 ] - [ 0.0000318900000000, -0.0001994500000000, -0.0003867500000000 ] - [ 0.0003463500000000, 0.0000026500000000, -0.0001540500000000 ] - [ -0.0006541200000000, -0.0005414500000000, -0.0006370000000000 ] - [ 0.0002080400000000, -0.0000643900000000, 0.0000933900000000 ] - [ 0.0001781500000000, -0.0001610200000000, -0.0004081000000000 ] - [ -0.0004362000000000, -0.0001381700000000, -0.0004371100000000 ] - [ 0.0005855900000000, 0.0008543800000000, -0.0011439500000000 ] - [ -0.0005758600000000, -0.0001227600000000, 0.0001169200000000 ] - [ 0.0044105700000000, -0.0054449100000000, -0.0040605900000000 ] - [ 0.0005283200000000, -0.0008417100000000, -0.0002023600000000 ] - [ -0.0000456100000000, -0.0000545200000000, 0.0000872800000000 ] - [ -0.0002100800000000, 0.0008549800000000, -0.0000477800000000 ] - [ 0.0001772800000000, -0.0002304100000000, 0.0003228700000000 ] - [ 0.0000522100000000, -0.0007865900000000, 0.0011525000000000 ] - [ 0.0000958800000000, -0.0001449400000000, -0.0002131000000000 ] - [ -0.0002937100000000, -0.0000643200000000, -0.0000379500000000 ] - [ 0.0052068100000000, -0.0475663600000000, 0.0024523800000000 ] - [ -0.0054898100000000, -0.0053053600000000, 0.0043859700000000 ] - [ 0.0002182900000000, 0.0005724900000000, -0.0000728400000000 ] - [ -0.0001383600000000, 0.0001036700000000, 0.0002079800000000 ] - [ 0.0152503200000000, -0.0646938200000000, 0.0108151300000000 ] - [ -0.0005593200000000, 0.0000287200000000, -0.0000930100000000 ] - [ -0.0488022400000000, 0.1972578500000000, -0.0172811600000000 ] - [ -0.0000115000000000, 0.0000057100000000, -0.0001233500000000 ] - [ 0.0027274300000000, 0.0003198300000000, 0.0000061200000000 ] - [ 0.0002343700000000, -0.0004337500000000, -0.0004317300000000 ] - [ 0.0002484500000000, 0.0002031400000000, -0.0001219100000000 ] - [ -0.0002372300000000, 0.0001038100000000, -0.0002390600000000 ] - [ 0.0004002300000000, 0.0000003900000000, 0.0000158300000000 ] - [ 0.0013015900000000, 0.0014455300000000, -0.0012135100000000 ] - [ -0.0051076900000000, 0.0071076400000000, -0.0041999600000000 ] - [ 0.0013140600000000, -0.0002163200000000, 0.0007977500000000 ] - [ -0.0025547700000000, 0.0069131100000000, -0.0015377700000000 ] - [ 0.0004714100000000, 0.0002717400000000, 0.0001285000000000 ] - [ -0.0002296800000000, -0.0001228800000000, 0.0005569100000000 ] - [ 0.0000628300000000, -0.0000098500000000, 0.0000376100000000 ] - [ 0.0001160900000000, -0.0000435200000000, 0.0000741700000000 ] - [ -0.0002932200000000, 0.0005076300000000, 0.0010346300000000 ] - [ 0.0003884700000000, 0.0007178600000000, 0.0002422500000000 ] - [ 0.0001528400000000, 0.0000238400000000, 0.0001115100000000 ] - [ 0.0006385400000000, 0.0002247700000000, -0.0001579900000000 ] - [ 0.0003798600000000, 0.0001958600000000, 0.0004255200000000 ] - [ 0.0001527000000000, -0.0002060900000000, 0.0001129800000000 ] - [ -0.0004952300000000, 0.0011252000000000, 0.0026180400000000 ] - [ -0.0003163800000000, -0.0001017200000000, 0.0003337300000000 ] - [ 0.0000012600000000, -0.0002450800000000, -0.0001418600000000 ] - [ -0.0003587800000000, 0.0001893300000000, -0.0001105100000000 ] - [ -0.0082268100000000, -0.0420903200000000, -0.0126802100000000 ] - [ 0.0019076200000000, -0.0020775600000000, 0.0028471400000000 ] - [ -0.0001952600000000, 0.0010492900000000, -0.0032731500000000 ] - [ -0.0015609600000000, -0.0016185100000000, -0.0018279700000000 ] - [ -0.0000718700000000, 0.0000633900000000, -0.0000010400000000 ] - [ 0.0000513000000000, -0.0000306800000000, -0.0001136500000000 ] - [ 0.0004438500000000, 0.0000871300000000, 0.0000238100000000 ] - [ 0.0002713100000000, -0.0004440200000000, -0.0004131200000000 ] - [ 0.0307742400000000, -0.0239414700000000, -0.0068638400000000 ] - [ -0.0008190100000000, -0.0005863500000000, 0.0000057600000000 ] - [ 0.0004254000000000, -0.0000076200000000, -0.0002304900000000 ] - [ 0.0004930000000000, -0.0000149500000000, 0.0002211500000000 ] - [ -0.0023073600000000, -0.0008177900000000, -0.0007899500000000 ] - [ -0.0001002400000000, 0.0002479100000000, -0.0000465500000000 ] - [ -0.0001527100000000, 0.0000772700000000, 0.0002960200000000 ] - [ 0.0001335500000000, 0.0001885400000000, -0.0000390700000000 ] - [ 0.0003955300000000, -0.0327675400000000, 0.0331776400000000 ] - [ 0.0019728800000000, 0.0063227500000000, -0.0007334600000000 ] - [ -0.0000841500000000, 0.0002140300000000, -0.0001376400000000 ] - [ -0.0000318100000000, 0.0002027100000000, 0.0001673500000000 ] - [ 0.0007629900000000, -0.0003047400000000, 0.0002340300000000 ] - [ -0.0011210500000000, 0.0014133800000000, -0.0004311000000000 ] - [ 0.0000036200000000, -0.0001625500000000, -0.0006095700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0105035900000000, 0.0040096800000000, 0.0140767000000000 ] - [ -0.0033641400000000, -0.0001341800000000, -0.0011428900000000 ] - [ 0.0035487200000000, -0.0000799000000000, -0.0066260700000000 ] - [ -0.0077152300000000, 0.0034562700000000, -0.0054964600000000 ] - [ -0.0001199200000000, -0.0000409000000000, 0.0034042200000000 ] - [ 0.0002585100000000, 0.0001825800000000, -0.0015179600000000 ] - [ 0.0058771100000000, 0.0023230200000000, 0.0240267500000000 ] - [ -0.0044912600000000, -0.0010612100000000, -0.0091793500000000 ] - [ 0.0016558100000000, 0.0001695500000000, -0.0076075100000000 ] - [ 0.0018342200000000, -0.0001279400000000, 0.0015567900000000 ] - [ -0.0026606000000000, -0.0000603400000000, 0.0000597800000000 ] - [ 0.0008943900000000, -0.0001773200000000, -0.0031233800000000 ] - [ -0.0010586500000000, 0.0010002000000000, 0.0037150600000000 ] - [ -0.0015133400000000, -0.0016667400000000, -0.0061891800000000 ] - [ 0.0031353400000000, -0.0014880900000000, -0.0016832100000000 ] - [ -0.0003319600000000, 0.0002583800000000, -0.0051346600000000 ] - [ -0.0064573400000000, -0.0062641900000000, 0.0047150800000000 ] - [ -0.0012385100000000, -0.0003744400000000, 0.0012406100000000 ] - [ 0.0060355500000000, 0.0014171100000000, -0.0084208500000000 ] - [ -0.0103596600000000, 0.0028277800000000, -0.0022671300000000 ] - [ -0.0005930600000000, 0.0003201400000000, -0.0024118300000000 ] - [ 0.0095742400000000, -0.0055038800000000, -0.0117318200000000 ] - [ -0.0001565900000000, -0.0007169000000000, -0.0023884400000000 ] - [ 0.0033780600000000, -0.0013679600000000, -0.0002482600000000 ] - [ 0.0007712400000000, -0.0001452200000000, -0.0005027500000000 ] - [ -0.0006191100000000, 0.0002915800000000, -0.0041424200000000 ] - [ 0.0072313900000000, 0.0074265900000000, 0.0521065000000000 ] - [ -0.0003384300000000, -0.0008534700000000, 0.0042611300000000 ] - [ -0.0019972200000000, -0.0003843300000000, -0.0015034200000000 ] - [ -0.0006702300000000, 0.0002445000000000, -0.0010670500000000 ] - [ 0.0122390500000000, -0.0103275700000000, 0.0575791400000000 ] - [ 0.0002113600000000, 0.0001793700000000, -0.0000044700000000 ] - [ -0.0785876800000000, 0.0159725200000000, -0.2378565500000000 ] - [ 0.0005707300000000, -0.0002711300000000, 0.0014122300000000 ] - [ -0.0010069100000000, -0.0003467700000000, -0.0024490700000000 ] - [ 0.0011924700000000, -0.0003236500000000, 0.0099306300000000 ] - [ 0.0002730200000000, 0.0004235100000000, 0.0006255600000000 ] - [ 0.0008091500000000, -0.0011172100000000, 0.0027482000000000 ] - [ 0.0003673900000000, -0.0001050700000000, -0.0011814200000000 ] - [ -0.0021832900000000, 0.0002759800000000, -0.0012526700000000 ] - [ 0.0285458200000000, -0.0059659700000000, 0.0200517700000000 ] - [ -0.0012052000000000, 0.0021966800000000, 0.0040814900000000 ] - [ 0.0027187200000000, 0.0063391500000000, 0.0704318600000000 ] - [ 0.0007253700000000, -0.0000343500000000, -0.0016258200000000 ] - [ -0.0008776400000000, 0.0004659900000000, 0.0046866700000000 ] - [ 0.0002501100000000, -0.0000566300000000, 0.0013621600000000 ] - [ -0.0003595100000000, 0.0012564200000000, 0.0029738700000000 ] - [ 0.0026479800000000, 0.0005064300000000, -0.0002285900000000 ] - [ 0.0037317400000000, -0.0013988200000000, 0.0007443300000000 ] - [ 0.0005842800000000, 0.0000196900000000, 0.0014871800000000 ] - [ -0.0009135700000000, -0.0002515800000000, -0.0000671500000000 ] - [ -0.0042134100000000, 0.0000091300000000, 0.0027523700000000 ] - [ 0.0001586800000000, 0.0000998400000000, -0.0003574900000000 ] - [ 0.0000199800000000, 0.0002736900000000, 0.0060206100000000 ] - [ -0.0016387700000000, -0.0004679200000000, 0.0008958400000000 ] - [ 0.0015732400000000, -0.0001290400000000, 0.0015200300000000 ] - [ 0.0009012000000000, -0.0008136800000000, 0.0036484500000000 ] - [ 0.0067191700000000, 0.0105878200000000, -0.0017145000000000 ] - [ -0.0011770300000000, 0.0040880700000000, -0.0060141200000000 ] - [ -0.0056430500000000, 0.0014464800000000, 0.0118717100000000 ] - [ -0.0036736100000000, -0.0018278500000000, -0.0012251900000000 ] - [ -0.0000861200000000, 0.0000713700000000, 0.0004467000000000 ] - [ 0.0000742300000000, -0.0000192200000000, 0.0008509000000000 ] - [ 0.0006271800000000, -0.0000292600000000, 0.0025685000000000 ] - [ 0.0031877900000000, -0.0007173200000000, 0.0047645700000000 ] - [ -0.0013601400000000, 0.0014282900000000, -0.0154373000000000 ] - [ 0.0026020200000000, 0.0004984200000000, 0.0010673500000000 ] - [ 0.0004652500000000, 0.0000345700000000, -0.0003541200000000 ] - [ 0.0001945200000000, 0.0001109300000000, -0.0011337600000000 ] - [ -0.0045975900000000, -0.0003203100000000, 0.0011932000000000 ] - [ 0.0039689900000000, 0.0001456900000000, -0.0022313200000000 ] - [ 0.0001244300000000, -0.0001475900000000, 0.0044066800000000 ] - [ -0.0002853100000000, -0.0000955300000000, 0.0018092200000000 ] - [ -0.0001551700000000, -0.0333428000000000, 0.0251081900000000 ] - [ 0.0246378800000000, 0.0044544900000000, -0.0011619000000000 ] - [ -0.0010186900000000, 0.0009430100000000, 0.0013119500000000 ] - [ -0.0013193500000000, 0.0011175000000000, 0.0019111800000000 ] - [ 0.0030939900000000, 0.0001504900000000, -0.0016734000000000 ] - [ -0.0027767000000000, 0.0015079100000000, -0.0026437800000000 ] - [ -0.0011499300000000, 0.0000254400000000, 0.0015721500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0110346400000000, -0.0044419700000000, -0.0137685000000000 ] - [ 0.0037816100000000, 0.0003995400000000, 0.0011903700000000 ] - [ -0.0031551800000000, 0.0003520100000000, 0.0065728300000000 ] - [ 0.0080852300000000, -0.0036846800000000, 0.0055778900000000 ] - [ -0.0007365300000000, 0.0000431100000000, -0.0034076600000000 ] - [ -0.0006747900000000, 0.0000798900000000, 0.0014577900000000 ] - [ -0.0050110800000000, -0.0023309600000000, -0.0240028600000000 ] - [ 0.0041026300000000, 0.0013372300000000, 0.0092277700000000 ] - [ -0.0025106600000000, -0.0001643500000000, 0.0076034100000000 ] - [ -0.0014313100000000, -0.0001328600000000, -0.0015923300000000 ] - [ 0.0022524800000000, -0.0002018100000000, 0.0000034300000000 ] - [ -0.0000195100000000, 0.0001773500000000, 0.0031275600000000 ] - [ 0.0012195000000000, -0.0010086600000000, -0.0037342000000000 ] - [ 0.0016646200000000, 0.0016544700000000, 0.0061868500000000 ] - [ -0.0031212900000000, 0.0013599500000000, 0.0013316300000000 ] - [ 0.0002293100000000, -0.0000273800000000, 0.0053996000000000 ] - [ 0.0064873100000000, 0.0061456900000000, -0.0043521100000000 ] - [ 0.0011337500000000, 0.0001342400000000, -0.0009686800000000 ] - [ -0.0059322600000000, -0.0012184300000000, 0.0081176400000000 ] - [ 0.0103338700000000, -0.0032176500000000, 0.0023738500000000 ] - [ 0.0004270400000000, -0.0003201400000000, 0.0024174400000000 ] - [ -0.0096201800000000, 0.0052307900000000, 0.0114466200000000 ] - [ 0.0001480900000000, 0.0003407000000000, 0.0022650200000000 ] - [ -0.0033811700000000, 0.0014908500000000, -0.0001317500000000 ] - [ -0.0006669600000000, -0.0000916900000000, 0.0002420600000000 ] - [ 0.0006229500000000, -0.0001717300000000, 0.0045035000000000 ] - [ -0.0047573200000000, -0.0058024300000000, -0.0490878900000000 ] - [ 0.0002683900000000, 0.0012009400000000, -0.0043260900000000 ] - [ 0.0019866600000000, 0.0007654900000000, 0.0016390900000000 ] - [ 0.0007814900000000, -0.0000078400000000, 0.0013289100000000 ] - [ -0.0142340400000000, 0.0120049300000000, -0.0589427200000000 ] - [ -0.0003162700000000, 0.0000579100000000, -0.0002601100000000 ] - [ 0.0781487800000000, -0.0198583700000000, 0.2355165000000000 ] - [ -0.0010059100000000, 0.0003733800000000, -0.0018250400000000 ] - [ 0.0008107000000000, 0.0000894700000000, 0.0027098400000000 ] - [ -0.0013798000000000, 0.0002276000000000, -0.0101388100000000 ] - [ -0.0002732200000000, -0.0001070600000000, -0.0006234800000000 ] - [ -0.0010251100000000, 0.0008568200000000, -0.0030114600000000 ] - [ -0.0005613600000000, 0.0002003700000000, 0.0009166000000000 ] - [ 0.0021829200000000, -0.0005027300000000, 0.0013660900000000 ] - [ -0.0287097400000000, 0.0063294500000000, -0.0205097900000000 ] - [ 0.0013089300000000, -0.0021527600000000, -0.0041711400000000 ] - [ -0.0024975200000000, -0.0065102100000000, -0.0687216600000000 ] - [ -0.0009170600000000, -0.0000569300000000, 0.0019110800000000 ] - [ 0.0006833300000000, -0.0003745100000000, -0.0044044000000000 ] - [ -0.0003611600000000, 0.0000416000000000, -0.0012756500000000 ] - [ 0.0003512600000000, -0.0014713300000000, -0.0030701500000000 ] - [ -0.0026469200000000, -0.0002607100000000, 0.0000666600000000 ] - [ -0.0037360800000000, 0.0017532200000000, -0.0006882900000000 ] - [ -0.0003899400000000, 0.0000708100000000, -0.0012152500000000 ] - [ 0.0013443600000000, 0.0003567800000000, 0.0004858700000000 ] - [ 0.0046142800000000, -0.0001066600000000, -0.0023407000000000 ] - [ -0.0001592200000000, -0.0004165700000000, 0.0003588700000000 ] - [ -0.0000235800000000, 0.0000526000000000, -0.0060039500000000 ] - [ 0.0012005200000000, 0.0003686500000000, -0.0004923600000000 ] - [ -0.0013352400000000, -0.0001311800000000, -0.0017831600000000 ] - [ -0.0011204200000000, 0.0010767100000000, -0.0033803600000000 ] - [ -0.0068369900000000, -0.0106752200000000, 0.0016430800000000 ] - [ 0.0011685800000000, -0.0038657200000000, 0.0059074200000000 ] - [ 0.0056188000000000, -0.0014800000000000, -0.0121941800000000 ] - [ 0.0036472300000000, 0.0020573700000000, 0.0013477200000000 ] - [ -0.0000275000000000, -0.0000564700000000, -0.0005366200000000 ] - [ 0.0001253200000000, -0.0000691100000000, -0.0011336800000000 ] - [ -0.0002063000000000, 0.0001285700000000, -0.0029775200000000 ] - [ -0.0031983400000000, 0.0004654000000000, -0.0049173400000000 ] - [ 0.0018303100000000, -0.0019353000000000, 0.0156138900000000 ] - [ -0.0025963300000000, -0.0008556400000000, -0.0010280900000000 ] - [ -0.0003504600000000, -0.0000486300000000, 0.0002728000000000 ] - [ -0.0000814400000000, -0.0000984200000000, 0.0012216100000000 ] - [ 0.0041787900000000, 0.0004427200000000, -0.0007524300000000 ] - [ -0.0042169600000000, 0.0001137700000000, 0.0019859300000000 ] - [ -0.0000200200000000, 0.0001324100000000, -0.0043198600000000 ] - [ 0.0005248400000000, 0.0003576600000000, -0.0015500500000000 ] - [ 0.0003297400000000, 0.0339550400000000, -0.0255877100000000 ] - [ -0.0249475100000000, -0.0044847500000000, 0.0006476300000000 ] - [ 0.0010302500000000, -0.0005946200000000, -0.0013547200000000 ] - [ 0.0013062900000000, -0.0009066300000000, -0.0018195600000000 ] - [ -0.0026553900000000, -0.0002519400000000, 0.0012612600000000 ] - [ 0.0027944200000000, -0.0018564700000000, 0.0025750300000000 ] - [ 0.0011581300000000, -0.0002749500000000, -0.0014188500000000 ]- atom: 34 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000430300000000, -0.0001395300000000, 0.0008806600000000 ] - [ 0.0263948500000000, 0.0033374900000000, 0.0068099000000000 ] - [ -0.0096125500000000, -0.0002302700000000, 0.0001420900000000 ] - [ -0.0039105700000000, -0.0000890800000000, 0.0004489900000000 ] - [ -0.0020865500000000, 0.0002833700000000, 0.0033742500000000 ] - [ -0.0121229000000000, 0.0038553100000000, 0.0020838900000000 ] - [ -0.0036904800000000, -0.0000621000000000, -0.0004813500000000 ] - [ -0.0057503900000000, -0.0009500300000000, -0.0071113300000000 ] - [ -0.0067242600000000, -0.0008319300000000, 0.0099426800000000 ] - [ 0.0038579000000000, -0.0002031800000000, -0.0003485600000000 ] - [ -0.0011460500000000, 0.0003010000000000, -0.0028745500000000 ] - [ 0.0289361900000000, 0.0010545100000000, -0.0027951700000000 ] - [ 0.0043893800000000, -0.0016818200000000, 0.0010217100000000 ] - [ -0.0054056100000000, 0.0017889700000000, 0.0014939100000000 ] - [ 0.0032405800000000, 0.0022447400000000, 0.0033768500000000 ] - [ -0.0134528400000000, 0.0059604600000000, -0.0011851500000000 ] - [ -0.0014292000000000, -0.0005869000000000, 0.0000860200000000 ] - [ -0.0001521300000000, -0.0002385000000000, 0.0000722300000000 ] - [ -0.0039444900000000, 0.0006112000000000, -0.0029549000000000 ] - [ 0.0038976800000000, -0.0009458500000000, -0.0085992400000000 ] - [ -0.0064374600000000, -0.0103768200000000, -0.0106278600000000 ] - [ -0.0012046700000000, 0.0002048500000000, 0.0012652500000000 ] - [ -0.0067412900000000, -0.0004992900000000, 0.0000471400000000 ] - [ -0.0052178300000000, -0.0007967000000000, 0.0007533800000000 ] - [ 0.0038646600000000, 0.0000250300000000, -0.0028661500000000 ] - [ 0.0629652000000000, -0.0117323400000000, -0.0008151400000000 ] - [ -0.0017960400000000, -0.0003347200000000, 0.0002678900000000 ] - [ 0.0019619000000000, 0.0003828500000000, 0.0001122000000000 ] - [ -0.0048459900000000, -0.0003634500000000, -0.0008443300000000 ] - [ 0.0902150000000000, 0.0194451000000000, -0.0003257800000000 ] - [ -0.0013876600000000, -0.0006249100000000, -0.0022850300000000 ] - [ -0.0021888200000000, -0.0051324600000000, 0.0136840800000000 ] - [ 0.0013127100000000, -0.0002476300000000, 0.0009281800000000 ] - [ -0.3282637700000000, 0.0169917100000000, 0.0091783300000000 ] - [ -0.0022876400000000, -0.0000832200000000, -0.0005761000000000 ] - [ 0.0022721900000000, 0.0003737100000000, -0.0012706200000000 ] - [ 0.0376425000000000, 0.0020562400000000, -0.0383442300000000 ] - [ 0.0033723300000000, -0.0002014900000000, -0.0013810000000000 ] - [ -0.0029796100000000, -0.0001095200000000, -0.0045411200000000 ] - [ 0.0026334700000000, 0.0006253700000000, -0.0009394100000000 ] - [ 0.0010624100000000, 0.0015420300000000, 0.0032848800000000 ] - [ 0.0013744000000000, -0.0003685700000000, -0.0021596700000000 ] - [ 0.0012364100000000, -0.0005062400000000, -0.0009940100000000 ] - [ -0.0013243800000000, 0.0001904000000000, -0.0002752400000000 ] - [ 0.0074749200000000, -0.0005086900000000, -0.0027477500000000 ] - [ 0.0071319700000000, 0.0211214500000000, -0.0022343600000000 ] - [ 0.0024082000000000, -0.0246419400000000, -0.0173208900000000 ] - [ 0.0018552400000000, 0.0000341300000000, 0.0006925000000000 ] - [ -0.0037060900000000, 0.0011207200000000, 0.0058160200000000 ] - [ 0.0430885000000000, 0.0023197800000000, 0.0246848100000000 ] - [ 0.0070281400000000, 0.0008040800000000, -0.0038121100000000 ] - [ 0.0000229900000000, 0.0006497700000000, -0.0019052500000000 ] - [ -0.0009634500000000, -0.0000201100000000, 0.0009376200000000 ] - [ 0.0064242900000000, 0.0002125500000000, 0.0044754100000000 ] - [ -0.0045740800000000, -0.0015179000000000, 0.0004490600000000 ] - [ 0.0052128500000000, 0.0002523100000000, 0.0053860600000000 ] - [ 0.0047306900000000, 0.0003244200000000, 0.0012800400000000 ] - [ 0.0010040200000000, 0.0001356300000000, -0.0000905500000000 ] - [ 0.0017783700000000, 0.0002134100000000, -0.0003938400000000 ] - [ 0.0026638500000000, -0.0000335900000000, 0.0010562800000000 ] - [ -0.0015071800000000, 0.0000321200000000, -0.0016216100000000 ] - [ -0.0021107000000000, -0.0003614700000000, 0.0015096400000000 ] - [ -0.0021782500000000, 0.0020323500000000, 0.0042400900000000 ] - [ 0.0546836200000000, -0.0068211300000000, 0.0004785200000000 ] - [ 0.0031307400000000, -0.0179422200000000, 0.0198405400000000 ] - [ -0.0004410200000000, -0.0000940100000000, 0.0012086600000000 ] - [ 0.0024929600000000, 0.0003843000000000, 0.0006714100000000 ] - [ -0.0002210500000000, 0.0021085400000000, -0.0039377600000000 ] - [ -0.0003851400000000, 0.0000739900000000, -0.0001566200000000 ] - [ 0.0044094500000000, -0.0002791300000000, 0.0004954400000000 ] - [ -0.0054163600000000, -0.0012416100000000, 0.0014785500000000 ] - [ 0.0046445600000000, -0.0024825600000000, 0.0007322100000000 ] - [ 0.0053292400000000, 0.0010540500000000, -0.0000432300000000 ] - [ 0.0018422800000000, -0.0000557600000000, 0.0012840800000000 ] - [ 0.0015650200000000, 0.0002612600000000, -0.0001971300000000 ] - [ 0.0061884200000000, 0.0003845700000000, -0.0000368300000000 ] - [ -0.0034941100000000, -0.0003307000000000, -0.0059563400000000 ] - [ 0.0008115900000000, -0.0003676900000000, -0.0003023300000000 ] - [ -0.0016093600000000, -0.0004210700000000, 0.0000750400000000 ] - [ 0.0042013100000000, -0.0003377000000000, -0.0006939500000000 ]- atom: 34 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003513800000000, -0.0001267000000000, -0.0009353300000000 ] - [ -0.0260274900000000, -0.0030148500000000, -0.0066926300000000 ] - [ 0.0100169600000000, 0.0004945700000000, -0.0001975500000000 ] - [ 0.0043224700000000, -0.0001813300000000, -0.0003941900000000 ] - [ 0.0012241000000000, -0.0002854700000000, -0.0033822700000000 ] - [ 0.0117123000000000, -0.0036289800000000, -0.0021501000000000 ] - [ 0.0045525400000000, 0.0000623200000000, 0.0004735100000000 ] - [ 0.0053777500000000, 0.0011999800000000, 0.0071315500000000 ] - [ 0.0059162000000000, 0.0008042000000000, -0.0099217700000000 ] - [ -0.0034642200000000, -0.0000637700000000, 0.0002910000000000 ] - [ 0.0007289400000000, -0.0005753700000000, 0.0029334100000000 ] - [ -0.0281453400000000, -0.0010789800000000, 0.0027714100000000 ] - [ -0.0042512400000000, 0.0016957500000000, -0.0010207000000000 ] - [ 0.0055745700000000, -0.0017826500000000, -0.0014784600000000 ] - [ -0.0032252200000000, -0.0023481500000000, -0.0037549300000000 ] - [ 0.0133936100000000, -0.0056958600000000, 0.0014578000000000 ] - [ 0.0014267700000000, 0.0004905000000000, 0.0002680700000000 ] - [ 0.0000576100000000, 0.0000184800000000, 0.0002007100000000 ] - [ 0.0040350100000000, -0.0003830200000000, 0.0026642500000000 ] - [ -0.0038804700000000, 0.0005740700000000, 0.0087349200000000 ] - [ 0.0062615500000000, 0.0104566800000000, 0.0106598100000000 ] - [ 0.0011303000000000, -0.0004279600000000, -0.0015305700000000 ] - [ 0.0067467800000000, 0.0001385600000000, -0.0001796000000000 ] - [ 0.0052199400000000, 0.0009038600000000, -0.0011129600000000 ] - [ -0.0038083300000000, -0.0002455500000000, 0.0025906600000000 ] - [ -0.0582568300000000, 0.0079595900000000, 0.0014071300000000 ] - [ 0.0018895400000000, 0.0001118200000000, -0.0000017500000000 ] - [ -0.0019569900000000, -0.0000238200000000, -0.0002431900000000 ] - [ 0.0048539500000000, 0.0007309300000000, 0.0009808300000000 ] - [ -0.0985027000000000, -0.0230673000000000, 0.0010279800000000 ] - [ 0.0012356600000000, 0.0006240400000000, 0.0022839000000000 ] - [ 0.0020833900000000, 0.0053982000000000, -0.0139843700000000 ] - [ -0.0011331300000000, 0.0001759100000000, -0.0006491800000000 ] - [ 0.3321160500000000, -0.0088136200000000, -0.0105773000000000 ] - [ 0.0020639700000000, -0.0002094300000000, 0.0008142900000000 ] - [ -0.0024724000000000, -0.0004442900000000, 0.0009858900000000 ] - [ -0.0383112900000000, -0.0018389100000000, 0.0390345600000000 ] - [ -0.0036060200000000, -0.0000856600000000, 0.0011282500000000 ] - [ 0.0028158000000000, 0.0001908700000000, 0.0042860800000000 ] - [ -0.0026295700000000, -0.0008636400000000, 0.0010626100000000 ] - [ -0.0008458900000000, -0.0012501400000000, -0.0035332800000000 ] - [ -0.0012755500000000, 0.0003916700000000, 0.0020753900000000 ] - [ -0.0012463400000000, 0.0001955000000000, 0.0009959900000000 ] - [ 0.0011462000000000, -0.0002600800000000, 0.0005561300000000 ] - [ -0.0076305200000000, 0.0005783300000000, 0.0030018300000000 ] - [ -0.0071187400000000, -0.0212173300000000, 0.0023319200000000 ] - [ -0.0025646600000000, 0.0243578600000000, 0.0172058900000000 ] - [ -0.0018542900000000, 0.0001857700000000, -0.0008313500000000 ] - [ 0.0036716000000000, -0.0007390300000000, -0.0057628000000000 ] - [ -0.0438044800000000, -0.0022589900000000, -0.0249047000000000 ] - [ -0.0066126800000000, -0.0007538700000000, 0.0042345500000000 ] - [ 0.0004081300000000, -0.0006961500000000, 0.0023086800000000 ] - [ 0.0009729600000000, -0.0002901300000000, -0.0009299400000000 ] - [ -0.0064025400000000, 0.0001041400000000, -0.0044456200000000 ] - [ 0.0041206600000000, 0.0014526000000000, -0.0000304600000000 ] - [ -0.0050005000000000, -0.0005463100000000, -0.0056726000000000 ] - [ -0.0049655000000000, -0.0000398700000000, -0.0010323200000000 ] - [ -0.0011211900000000, -0.0001193900000000, 0.0001784700000000 ] - [ -0.0017761400000000, 0.0000202200000000, 0.0002803500000000 ] - [ -0.0027809600000000, 0.0000118500000000, -0.0011390600000000 ] - [ 0.0015025000000000, 0.0001858400000000, 0.0017641400000000 ] - [ 0.0020152300000000, 0.0003915200000000, -0.0015895500000000 ] - [ 0.0024160700000000, -0.0021327300000000, -0.0045345800000000 ] - [ -0.0531127300000000, 0.0067894400000000, -0.0008789600000000 ] - [ -0.0032144500000000, 0.0176121900000000, -0.0198804400000000 ] - [ 0.0006638200000000, -0.0001942700000000, -0.0009550500000000 ] - [ -0.0024919500000000, -0.0007750600000000, -0.0006404500000000 ] - [ 0.0003615300000000, -0.0021499100000000, 0.0038559200000000 ] - [ 0.0005017900000000, -0.0000523600000000, 0.0002481000000000 ] - [ -0.0048587500000000, 0.0003332400000000, -0.0000897000000000 ] - [ 0.0051688100000000, 0.0014998900000000, -0.0017394000000000 ] - [ -0.0045477700000000, 0.0024483200000000, -0.0006475700000000 ] - [ -0.0050915100000000, -0.0007733600000000, 0.0002956200000000 ] - [ -0.0016663700000000, 0.0001245600000000, -0.0015554800000000 ] - [ -0.0020154200000000, -0.0003114200000000, -0.0002029100000000 ] - [ -0.0061917100000000, -0.0000087000000000, -0.0000007700000000 ] - [ 0.0034570900000000, 0.0005658600000000, 0.0060735300000000 ] - [ -0.0003519300000000, 0.0003162900000000, -0.0000996300000000 ] - [ 0.0016057600000000, 0.0000382700000000, -0.0001180800000000 ] - [ -0.0042027200000000, 0.0001207100000000, 0.0008263900000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009370000000000, -0.0002012500000000, -0.0000848500000000 ] - [ -0.0010450600000000, -0.0075745700000000, -0.0043475000000000 ] - [ 0.0006493300000000, 0.0001225500000000, 0.0000264200000000 ] - [ 0.0008017200000000, -0.0001277100000000, -0.0001588500000000 ] - [ 0.0002398900000000, -0.0000429500000000, 0.0001574500000000 ] - [ -0.0014343900000000, -0.0012536500000000, 0.0001003600000000 ] - [ 0.0009148700000000, -0.0000132300000000, 0.0003876400000000 ] - [ 0.0006014000000000, -0.0024769600000000, 0.0003311900000000 ] - [ 0.0001152000000000, -0.0021490500000000, -0.0020419400000000 ] - [ -0.0001250900000000, -0.0001403400000000, 0.0006383900000000 ] - [ 0.0007720500000000, -0.0001847100000000, 0.0003129400000000 ] - [ -0.0033317400000000, -0.0013451400000000, -0.0032540400000000 ] - [ 0.0002719400000000, 0.0001511700000000, -0.0002734800000000 ] - [ 0.0005414200000000, 0.0000955500000000, -0.0003861400000000 ] - [ -0.0015664300000000, 0.0004797100000000, -0.0003284500000000 ] - [ -0.0001314700000000, 0.0008930600000000, -0.0000825900000000 ] - [ 0.0003603500000000, -0.0000823800000000, 0.0003124200000000 ] - [ 0.0002941500000000, -0.0001278600000000, 0.0004125800000000 ] - [ 0.0004036200000000, 0.0002007700000000, 0.0000699800000000 ] - [ -0.0017910700000000, 0.0046052100000000, 0.0050864700000000 ] - [ 0.0009202100000000, 0.0014983200000000, -0.0006107200000000 ] - [ -0.0002693500000000, -0.0003000500000000, -0.0003805100000000 ] - [ 0.0004548400000000, -0.0005366100000000, -0.0001793100000000 ] - [ 0.0004448100000000, 0.0001112400000000, 0.0002115700000000 ] - [ 0.0004697600000000, -0.0000464700000000, 0.0003022600000000 ] - [ -0.0097768500000000, 0.0553982500000000, -0.0018131600000000 ] - [ 0.0002657100000000, -0.0000630900000000, 0.0001888600000000 ] - [ -0.0005955800000000, 0.0002845300000000, 0.0002113500000000 ] - [ 0.0007732100000000, 0.0002608200000000, 0.0000168900000000 ] - [ 0.0101422900000000, 0.0578316300000000, -0.0013031300000000 ] - [ -0.0000667700000000, 0.0005241300000000, 0.0007257800000000 ] - [ 0.0002248300000000, 0.0001921100000000, -0.0007458600000000 ] - [ -0.0000526600000000, -0.0000270700000000, -0.0001833700000000 ] - [ 0.0119403400000000, -0.1874164100000000, 0.0157429300000000 ] - [ 0.0000398700000000, -0.0001405400000000, 0.0003298300000000 ] - [ -0.0003313900000000, -0.0002402400000000, 0.0001660200000000 ] - [ -0.0022069100000000, -0.0068142700000000, 0.0036650500000000 ] - [ -0.0006035300000000, -0.0001741900000000, 0.0001785200000000 ] - [ -0.0004288400000000, -0.0001757700000000, -0.0000829700000000 ] - [ -0.0003488000000000, -0.0000106800000000, -0.0001475900000000 ] - [ -0.0005116000000000, -0.0008562100000000, -0.0021682000000000 ] - [ 0.0000382900000000, 0.0003430900000000, 0.0008746700000000 ] - [ -0.0000500500000000, -0.0000145600000000, 0.0001563600000000 ] - [ -0.0001642800000000, -0.0001093000000000, 0.0000596900000000 ] - [ -0.0001964600000000, 0.0003208300000000, -0.0000596100000000 ] - [ 0.0250008400000000, 0.0434706400000000, -0.0027830000000000 ] - [ -0.0181149400000000, 0.0369704400000000, 0.0168044200000000 ] - [ -0.0003699600000000, 0.0001023000000000, -0.0001650400000000 ] - [ 0.0025112000000000, -0.0009782500000000, 0.0020191500000000 ] - [ -0.0070503900000000, -0.0063370200000000, -0.0043136500000000 ] - [ -0.0005437800000000, 0.0003514300000000, 0.0000830200000000 ] - [ 0.0008950200000000, -0.0004831900000000, 0.0007059700000000 ] - [ -0.0002907800000000, -0.0003307000000000, -0.0004162500000000 ] - [ -0.0001594600000000, 0.0003797800000000, 0.0002722200000000 ] - [ 0.0012703100000000, 0.0017846000000000, -0.0011702400000000 ] - [ -0.0009522200000000, -0.0001036500000000, -0.0004932700000000 ] - [ -0.0003286300000000, 0.0002013800000000, 0.0002704100000000 ] - [ -0.0001125000000000, -0.0000259300000000, 0.0000127100000000 ] - [ -0.0003092700000000, 0.0001585300000000, -0.0001693300000000 ] - [ -0.0003524800000000, -0.0000738500000000, -0.0002627800000000 ] - [ 0.0006091700000000, 0.0002485900000000, -0.0004978600000000 ] - [ -0.0004276900000000, -0.0004489500000000, -0.0006728500000000 ] - [ -0.0017414100000000, 0.0008051900000000, 0.0002468300000000 ] - [ 0.0069756400000000, -0.0044935700000000, 0.0000039900000000 ] - [ -0.0142495600000000, 0.0177457100000000, -0.0192617000000000 ] - [ 0.0005895100000000, -0.0002917300000000, -0.0002841100000000 ] - [ -0.0005023500000000, -0.0001626100000000, 0.0000735900000000 ] - [ -0.0010216100000000, -0.0000707400000000, -0.0007436400000000 ] - [ -0.0001324600000000, 0.0000237800000000, -0.0001416100000000 ] - [ -0.0005256400000000, 0.0000372600000000, 0.0000429000000000 ] - [ 0.0022260200000000, 0.0021431000000000, -0.0001767800000000 ] - [ -0.0005116700000000, -0.0004303600000000, 0.0000247700000000 ] - [ -0.0004452000000000, -0.0008128400000000, 0.0010226300000000 ] - [ -0.0001073100000000, 0.0001222400000000, -0.0005576600000000 ] - [ -0.0005077600000000, -0.0001259400000000, -0.0002728300000000 ] - [ 0.0002465200000000, 0.0007393600000000, 0.0004592200000000 ] - [ 0.0023963000000000, -0.0002261100000000, -0.0011137000000000 ] - [ -0.0001190800000000, -0.0000185000000000, -0.0003081400000000 ] - [ 0.0005163400000000, -0.0001823700000000, -0.0001445800000000 ] - [ -0.0000754900000000, -0.0003557200000000, -0.0001261400000000 ]- atom: 34 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005208100000000, -0.0000571000000000, 0.0000329100000000 ] - [ 0.0013717100000000, 0.0079800600000000, 0.0045647900000000 ] - [ -0.0002417400000000, 0.0001393100000000, -0.0000788800000000 ] - [ -0.0003982300000000, -0.0001303700000000, 0.0002068500000000 ] - [ -0.0011039900000000, 0.0000464300000000, -0.0001506700000000 ] - [ 0.0010335600000000, 0.0015496800000000, -0.0001479000000000 ] - [ -0.0000455400000000, 0.0000134000000000, -0.0003824400000000 ] - [ -0.0010243300000000, 0.0027440900000000, -0.0002774400000000 ] - [ -0.0009920700000000, 0.0021547000000000, 0.0020328000000000 ] - [ 0.0005337700000000, -0.0001135100000000, -0.0006817400000000 ] - [ -0.0011675100000000, -0.0000701500000000, -0.0002677500000000 ] - [ 0.0040556100000000, 0.0016869400000000, 0.0028298500000000 ] - [ -0.0001045800000000, -0.0001537500000000, 0.0002671500000000 ] - [ -0.0003804900000000, -0.0000990300000000, 0.0003830200000000 ] - [ 0.0015595200000000, -0.0005966700000000, -0.0000403600000000 ] - [ 0.0000658600000000, -0.0006905400000000, 0.0003547200000000 ] - [ -0.0003591500000000, -0.0000275100000000, 0.0000447300000000 ] - [ -0.0003886100000000, -0.0001009600000000, -0.0001405600000000 ] - [ -0.0003082500000000, 0.0000289400000000, -0.0003365800000000 ] - [ 0.0018008600000000, -0.0049902200000000, -0.0049588300000000 ] - [ -0.0010948000000000, -0.0015573000000000, 0.0005669600000000 ] - [ 0.0001680300000000, 0.0000727000000000, 0.0001134900000000 ] - [ -0.0004619800000000, 0.0001723100000000, 0.0000605200000000 ] - [ -0.0004525800000000, -0.0000089300000000, -0.0005708700000000 ] - [ -0.0003708000000000, -0.0001794900000000, -0.0005749600000000 ] - [ 0.0123089900000000, -0.0569328100000000, 0.0022583000000000 ] - [ -0.0001678200000000, -0.0001662900000000, 0.0000773200000000 ] - [ 0.0005957700000000, 0.0000783700000000, -0.0003264500000000 ] - [ -0.0007774100000000, 0.0001030200000000, 0.0000991400000000 ] - [ -0.0111816200000000, -0.0576258900000000, 0.0016515700000000 ] - [ -0.0001001600000000, -0.0005284200000000, -0.0007244200000000 ] - [ -0.0003251500000000, -0.0000072900000000, 0.0005478300000000 ] - [ 0.0002473800000000, -0.0000575100000000, 0.0004668100000000 ] - [ -0.0139144500000000, 0.1894370500000000, -0.0159746400000000 ] - [ -0.0002829500000000, -0.0001409800000000, -0.0000703600000000 ] - [ 0.0001350600000000, 0.0001605700000000, -0.0004481600000000 ] - [ 0.0024385100000000, 0.0071181600000000, -0.0037964800000000 ] - [ 0.0003590100000000, -0.0001078200000000, -0.0004442800000000 ] - [ 0.0002231800000000, 0.0002577700000000, -0.0002021200000000 ] - [ 0.0003549700000000, -0.0002038600000000, 0.0002486500000000 ] - [ 0.0007620100000000, 0.0011382700000000, 0.0019177000000000 ] - [ 0.0000710500000000, -0.0003296300000000, -0.0009719000000000 ] - [ 0.0000464800000000, -0.0003106400000000, -0.0001567800000000 ] - [ -0.0000320500000000, 0.0000262500000000, 0.0002240100000000 ] - [ -0.0000030900000000, -0.0002407700000000, 0.0003469500000000 ] - [ -0.0257685200000000, -0.0438689800000000, 0.0029100600000000 ] - [ 0.0185820700000000, -0.0374312800000000, -0.0171795000000000 ] - [ 0.0003755800000000, 0.0001429900000000, 0.0000291200000000 ] - [ -0.0025185400000000, 0.0013171200000000, -0.0020182700000000 ] - [ 0.0074352900000000, 0.0063662900000000, 0.0046289400000000 ] - [ 0.0010165300000000, -0.0002519400000000, 0.0003045300000000 ] - [ -0.0004519700000000, 0.0003965400000000, -0.0003060700000000 ] - [ 0.0002876500000000, 0.0000048600000000, 0.0004148200000000 ] - [ 0.0001535400000000, -0.0000500900000000, -0.0002780200000000 ] - [ -0.0017039500000000, -0.0018476500000000, 0.0015591800000000 ] - [ 0.0012176000000000, -0.0001722800000000, 0.0002428900000000 ] - [ 0.0000828500000000, 0.0000803500000000, 0.0000006800000000 ] - [ -0.0000002600000000, 0.0000396800000000, 0.0000771200000000 ] - [ 0.0003135300000000, 0.0000618100000000, 0.0000661700000000 ] - [ 0.0002405000000000, 0.0000630200000000, 0.0001695800000000 ] - [ -0.0006062200000000, -0.0000002800000000, 0.0006353000000000 ] - [ 0.0003042800000000, 0.0004482700000000, 0.0005741800000000 ] - [ 0.0019203600000000, -0.0008649600000000, -0.0005205400000000 ] - [ -0.0066319000000000, 0.0046175100000000, -0.0004081800000000 ] - [ 0.0144648500000000, -0.0180591900000000, 0.0193686100000000 ] - [ -0.0003483800000000, 0.0000132000000000, 0.0005533300000000 ] - [ 0.0005056300000000, -0.0001842200000000, -0.0000587300000000 ] - [ 0.0011250500000000, 0.0000724700000000, 0.0006495500000000 ] - [ 0.0002428000000000, -0.0000102500000000, 0.0002314300000000 ] - [ 0.0000864000000000, 0.0000568000000000, 0.0003614100000000 ] - [ -0.0024629500000000, -0.0018374400000000, -0.0000777000000000 ] - [ 0.0006188900000000, 0.0004204900000000, 0.0000681500000000 ] - [ 0.0007005700000000, 0.0011045600000000, -0.0007570400000000 ] - [ 0.0003000200000000, -0.0000379400000000, 0.0002754100000000 ] - [ 0.0000659500000000, 0.0000373400000000, -0.0001312000000000 ] - [ -0.0002433900000000, -0.0003992100000000, -0.0004820300000000 ] - [ -0.0024102200000000, 0.0004207600000000, 0.0012378200000000 ] - [ 0.0005684600000000, -0.0000730000000000, -0.0000972900000000 ] - [ -0.0005145400000000, -0.0001713600000000, 0.0001232900000000 ] - [ 0.0000796700000000, 0.0001154100000000, 0.0002614700000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004155100000000, -0.0001837100000000, -0.0034916700000000 ] - [ 0.0052417800000000, -0.0082584600000000, 0.0002730900000000 ] - [ -0.0000754800000000, 0.0000795500000000, 0.0019326600000000 ] - [ 0.0004355400000000, -0.0000706100000000, -0.0010699400000000 ] - [ 0.0010527800000000, -0.0001685200000000, -0.0033478400000000 ] - [ 0.0018379100000000, -0.0009447300000000, 0.0068773200000000 ] - [ 0.0002660800000000, 0.0000405300000000, -0.0016265200000000 ] - [ -0.0078256000000000, 0.0008305500000000, 0.0032645100000000 ] - [ 0.0063231500000000, -0.0000797900000000, 0.0017632300000000 ] - [ 0.0002474600000000, -0.0004145200000000, -0.0053050000000000 ] - [ -0.0020912500000000, -0.0000409600000000, -0.0025891400000000 ] - [ -0.0028320800000000, 0.0006855600000000, 0.0074114300000000 ] - [ 0.0017070800000000, -0.0007983400000000, -0.0053205900000000 ] - [ 0.0005686300000000, 0.0001264100000000, 0.0012703500000000 ] - [ 0.0017683100000000, -0.0023684700000000, -0.0057788200000000 ] - [ 0.0001789400000000, 0.0000785600000000, 0.0014852800000000 ] - [ -0.0000401800000000, 0.0000753900000000, -0.0014561300000000 ] - [ -0.0001006800000000, -0.0002299900000000, -0.0027778700000000 ] - [ -0.0004094000000000, -0.0000066700000000, 0.0005327900000000 ] - [ -0.0025007900000000, 0.0018422000000000, -0.0054008700000000 ] - [ -0.0044599900000000, -0.0037466800000000, -0.0009000000000000 ] - [ 0.0018797800000000, -0.0003842300000000, -0.0008904500000000 ] - [ -0.0008201400000000, 0.0000733700000000, 0.0018220600000000 ] - [ 0.0016473500000000, 0.0013679100000000, 0.0006660300000000 ] - [ -0.0021294900000000, -0.0002521000000000, -0.0033556700000000 ] - [ -0.0001706500000000, 0.0006793700000000, 0.0431088100000000 ] - [ 0.0000040900000000, -0.0002271300000000, -0.0014851100000000 ] - [ -0.0002898500000000, 0.0002046800000000, -0.0036762900000000 ] - [ -0.0013889800000000, 0.0000120900000000, -0.0007133200000000 ] - [ -0.0021464600000000, -0.0028723800000000, 0.0465440800000000 ] - [ -0.0017502700000000, -0.0009293700000000, -0.0031964500000000 ] - [ 0.0021438700000000, 0.0026114600000000, -0.0055853100000000 ] - [ 0.0008033700000000, -0.0001189800000000, 0.0017591800000000 ] - [ 0.0096616000000000, 0.0151107800000000, -0.1083091900000000 ] - [ 0.0006496200000000, 0.0008986900000000, 0.0037794100000000 ] - [ -0.0011400600000000, -0.0003958200000000, -0.0004125200000000 ] - [ -0.0324474600000000, -0.0000281200000000, 0.0087136700000000 ] - [ 0.0001532600000000, -0.0002386900000000, -0.0004125200000000 ] - [ -0.0013877000000000, -0.0001843400000000, 0.0024041300000000 ] - [ -0.0006859200000000, -0.0004301700000000, 0.0004427700000000 ] - [ 0.0032895600000000, 0.0001445000000000, 0.0028772700000000 ] - [ -0.0012094700000000, 0.0001326900000000, 0.0011695700000000 ] - [ -0.0007242900000000, -0.0000583300000000, 0.0014972000000000 ] - [ -0.0010092200000000, -0.0002643900000000, 0.0029131600000000 ] - [ -0.0001515300000000, 0.0004720400000000, -0.0013245200000000 ] - [ -0.0006951600000000, -0.0007714500000000, -0.0145151900000000 ] - [ -0.0156534400000000, 0.0155648000000000, -0.0026916000000000 ] - [ 0.0004596300000000, 0.0004105500000000, 0.0013184400000000 ] - [ 0.0060354200000000, 0.0007031300000000, 0.0069408900000000 ] - [ 0.0243865100000000, -0.0004225800000000, -0.0007327600000000 ] - [ -0.0038042100000000, 0.0001690900000000, 0.0018335800000000 ] - [ -0.0018857500000000, 0.0004512600000000, 0.0016210500000000 ] - [ 0.0010756300000000, 0.0001471900000000, 0.0030129200000000 ] - [ 0.0002572600000000, -0.0005438800000000, -0.0019732700000000 ] - [ -0.0004508700000000, -0.0014119100000000, 0.0040653100000000 ] - [ 0.0024469100000000, -0.0001929400000000, 0.0012820100000000 ] - [ -0.0002805100000000, 0.0004056400000000, -0.0008668100000000 ] - [ -0.0001698100000000, 0.0000868900000000, 0.0012153500000000 ] - [ -0.0002920400000000, -0.0005313200000000, 0.0012409000000000 ] - [ 0.0009132500000000, 0.0001764500000000, -0.0002824700000000 ] - [ -0.0003464300000000, -0.0001089400000000, 0.0046052800000000 ] - [ 0.0013186600000000, 0.0000957800000000, 0.0029129700000000 ] - [ 0.0034807500000000, -0.0010167100000000, 0.0008342200000000 ] - [ -0.0004968600000000, 0.0002581700000000, -0.0063282800000000 ] - [ 0.0173404000000000, -0.0191364100000000, 0.0083426800000000 ] - [ -0.0002136800000000, 0.0003855300000000, 0.0027587800000000 ] - [ 0.0006972100000000, -0.0001110600000000, 0.0002525400000000 ] - [ -0.0027012700000000, -0.0005811500000000, 0.0000803100000000 ] - [ 0.0002548600000000, 0.0001052700000000, 0.0020864600000000 ] - [ -0.0005088200000000, 0.0002144100000000, -0.0000887200000000 ] - [ -0.0002069600000000, 0.0028102400000000, 0.0045093900000000 ] - [ -0.0002854000000000, -0.0000198600000000, -0.0026277600000000 ] - [ 0.0020489900000000, 0.0021117200000000, -0.0025764600000000 ] - [ 0.0012597800000000, -0.0000940100000000, 0.0005503300000000 ] - [ -0.0002132100000000, 0.0000175100000000, 0.0007064600000000 ] - [ 0.0002005700000000, -0.0002285600000000, -0.0011309000000000 ] - [ -0.0063708900000000, 0.0001704600000000, 0.0080454600000000 ] - [ 0.0003183600000000, 0.0000499400000000, 0.0010753100000000 ] - [ -0.0001403100000000, -0.0005820300000000, 0.0018046700000000 ] - [ -0.0002673200000000, -0.0003521100000000, -0.0013633100000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0008355700000000, -0.0000863100000000, 0.0034469300000000 ] - [ -0.0049300800000000, 0.0086832800000000, 0.0000731000000000 ] - [ 0.0004893700000000, 0.0001884200000000, -0.0019757500000000 ] - [ -0.0000332100000000, -0.0001986500000000, 0.0011092800000000 ] - [ -0.0018978700000000, 0.0001683700000000, 0.0033587900000000 ] - [ -0.0022642000000000, 0.0011997900000000, -0.0069154400000000 ] - [ 0.0005891500000000, -0.0000425700000000, 0.0016343400000000 ] - [ 0.0074231200000000, -0.0005736100000000, -0.0031831800000000 ] - [ -0.0071642000000000, 0.0000630800000000, -0.0018157600000000 ] - [ 0.0001585700000000, 0.0001483800000000, 0.0052711000000000 ] - [ 0.0017079900000000, -0.0002259900000000, 0.0026328000000000 ] - [ 0.0034826000000000, -0.0002244300000000, -0.0079383500000000 ] - [ -0.0015302900000000, 0.0007947400000000, 0.0053146600000000 ] - [ -0.0003967000000000, -0.0001324400000000, -0.0012799300000000 ] - [ -0.0017850200000000, 0.0022656800000000, 0.0054236700000000 ] - [ -0.0002329300000000, 0.0001425900000000, -0.0012093100000000 ] - [ 0.0000436200000000, -0.0001997000000000, 0.0018271500000000 ] - [ 0.0000021700000000, -0.0000080700000000, 0.0030492900000000 ] - [ 0.0005145400000000, 0.0002440900000000, -0.0007877800000000 ] - [ 0.0024777900000000, -0.0021718300000000, 0.0055688800000000 ] - [ 0.0043004000000000, 0.0037215800000000, 0.0008656300000000 ] - [ -0.0019893800000000, 0.0001484000000000, 0.0006215300000000 ] - [ 0.0008211500000000, -0.0004484500000000, -0.0019413300000000 ] - [ -0.0016486900000000, -0.0012490400000000, -0.0010328400000000 ] - [ 0.0022456700000000, 0.0000151700000000, 0.0031053300000000 ] - [ 0.0002531200000000, -0.0002730300000000, -0.0428130400000000 ] - [ 0.0001010700000000, -0.0000102300000000, 0.0017485000000000 ] - [ 0.0002861100000000, 0.0001683600000000, 0.0035596700000000 ] - [ 0.0013938200000000, 0.0003606500000000, 0.0008325600000000 ] - [ 0.0024619500000000, 0.0035041800000000, -0.0463911900000000 ] - [ 0.0015794900000000, 0.0009319500000000, 0.0032029100000000 ] - [ -0.0022383700000000, -0.0023934900000000, 0.0053548200000000 ] - [ -0.0006094200000000, 0.0000356000000000, -0.0014804000000000 ] - [ -0.0100866000000000, -0.0166143800000000, 0.1081014100000000 ] - [ -0.0008795600000000, -0.0011579300000000, -0.0035204300000000 ] - [ 0.0009442800000000, 0.0003157900000000, 0.0001415800000000 ] - [ 0.0321138100000000, 0.0004103200000000, -0.0087733400000000 ] - [ -0.0003853300000000, -0.0000245400000000, 0.0001586000000000 ] - [ 0.0011821700000000, 0.0002697100000000, -0.0026869000000000 ] - [ 0.0006881200000000, 0.0002202100000000, -0.0003525000000000 ] - [ -0.0030632100000000, 0.0001062100000000, -0.0031547500000000 ] - [ 0.0013289100000000, -0.0001307700000000, -0.0012477300000000 ] - [ 0.0007222400000000, -0.0002595800000000, -0.0014918100000000 ] - [ 0.0008120500000000, 0.0001811200000000, -0.0026345400000000 ] - [ -0.0000552900000000, -0.0003888600000000, 0.0016080700000000 ] - [ 0.0007253100000000, 0.0009910000000000, 0.0145851600000000 ] - [ 0.0156639300000000, -0.0157253900000000, 0.0027753600000000 ] - [ -0.0004585200000000, -0.0001624000000000, -0.0014560000000000 ] - [ -0.0059368800000000, -0.0003356100000000, -0.0068036900000000 ] - [ -0.0243414300000000, 0.0005521400000000, 0.0010720800000000 ] - [ 0.0042443600000000, -0.0000619100000000, -0.0014301700000000 ] - [ 0.0023291800000000, -0.0005522100000000, -0.0012054800000000 ] - [ -0.0010822200000000, -0.0004641000000000, -0.0030149200000000 ] - [ -0.0002679000000000, 0.0008632500000000, 0.0019606800000000 ] - [ 0.0000271000000000, 0.0013260900000000, -0.0036821800000000 ] - [ -0.0022139500000000, -0.0000645300000000, -0.0015327900000000 ] - [ 0.0000505300000000, -0.0001428900000000, 0.0011332000000000 ] - [ 0.0000543300000000, -0.0000874700000000, -0.0011271800000000 ] - [ 0.0002923800000000, 0.0007452300000000, -0.0013375000000000 ] - [ -0.0010296800000000, -0.0001742000000000, 0.0001870700000000 ] - [ 0.0003511400000000, 0.0003566900000000, -0.0044755800000000 ] - [ -0.0014442900000000, -0.0000977500000000, -0.0030041600000000 ] - [ -0.0033204900000000, 0.0009504600000000, -0.0011089600000000 ] - [ 0.0008595700000000, -0.0001610600000000, 0.0059246900000000 ] - [ -0.0171859300000000, 0.0187391400000000, -0.0085191100000000 ] - [ 0.0004456500000000, -0.0006467700000000, -0.0024944500000000 ] - [ -0.0006996300000000, -0.0002336900000000, -0.0002058200000000 ] - [ 0.0028067200000000, 0.0005855900000000, -0.0001781800000000 ] - [ -0.0001430900000000, -0.0001067200000000, -0.0019998100000000 ] - [ 0.0000762100000000, -0.0001124600000000, 0.0004919800000000 ] - [ 0.0000000400000000, -0.0025303000000000, -0.0047555300000000 ] - [ 0.0003865200000000, 0.0000278100000000, 0.0027118500000000 ] - [ -0.0018126300000000, -0.0018480900000000, 0.0028434000000000 ] - [ -0.0010630500000000, 0.0001761100000000, -0.0008338400000000 ] - [ -0.0002195800000000, -0.0001162100000000, -0.0011119000000000 ] - [ -0.0001989400000000, 0.0005782100000000, 0.0010908800000000 ] - [ 0.0064788900000000, 0.0000781900000000, -0.0080480300000000 ] - [ 0.0001162200000000, -0.0001509700000000, -0.0014834700000000 ] - [ 0.0001460900000000, 0.0002275600000000, -0.0018512700000000 ] - [ 0.0002667400000000, 0.0001035000000000, 0.0014993800000000 ]- atom: 35 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0091193300000000, -0.0043116600000000, -0.0069432900000000 ] - [ 0.0076272900000000, 0.0010938700000000, -0.0042095800000000 ] - [ -0.0028485600000000, 0.0000585000000000, -0.0000238700000000 ] - [ -0.0057429900000000, -0.0001170700000000, -0.0014128400000000 ] - [ -0.0116763800000000, 0.0004799500000000, -0.0024875500000000 ] - [ -0.0020416600000000, 0.0005285400000000, -0.0029848600000000 ] - [ -0.0073617000000000, -0.0000519500000000, 0.0018007300000000 ] - [ 0.0000578700000000, -0.0000682200000000, 0.0030043200000000 ] - [ -0.0006075100000000, -0.0002834600000000, -0.0032094600000000 ] - [ 0.0300074500000000, -0.0080955800000000, -0.0017989000000000 ] - [ -0.0031945400000000, 0.0002986300000000, 0.0053115500000000 ] - [ 0.0047503000000000, -0.0003768500000000, -0.0013988500000000 ] - [ 0.0764409100000000, 0.0231892100000000, 0.0346226700000000 ] - [ -0.0021530200000000, -0.0003410800000000, -0.0010398500000000 ] - [ 0.0052113100000000, 0.0059766800000000, -0.0104181100000000 ] - [ -0.0000329000000000, 0.0001089500000000, 0.0001298100000000 ] - [ -0.0058355800000000, -0.0001524600000000, 0.0012376700000000 ] - [ -0.0070909300000000, -0.0016971300000000, 0.0089215300000000 ] - [ -0.0031666300000000, 0.0008435800000000, 0.0017864500000000 ] - [ 0.0071808000000000, 0.0014695500000000, 0.0018563500000000 ] - [ -0.0001908300000000, -0.0000799100000000, -0.0000835100000000 ] - [ -0.0022246600000000, 0.0003911500000000, -0.0021055000000000 ] - [ -0.0016000500000000, -0.0002716100000000, -0.0009056000000000 ] - [ -0.0040660400000000, -0.0004908600000000, -0.0010628200000000 ] - [ 0.0041128200000000, 0.0001813800000000, 0.0028697700000000 ] - [ 0.0016084600000000, -0.0002469800000000, -0.0005757400000000 ] - [ -0.0055279100000000, 0.0007099100000000, -0.0008218900000000 ] - [ 0.0703745200000000, -0.0204300100000000, 0.0181456100000000 ] - [ -0.0020443800000000, 0.0001681000000000, 0.0009507100000000 ] - [ 0.0025223100000000, -0.0003401100000000, -0.0021406400000000 ] - [ -0.0070276900000000, 0.0085975000000000, 0.0138747800000000 ] - [ -0.0046000400000000, -0.0051554100000000, -0.0084898300000000 ] - [ 0.0061581100000000, -0.0029091700000000, -0.0007663300000000 ] - [ -0.0023935400000000, 0.0002055300000000, 0.0005663000000000 ] - [ -0.2744940700000000, -0.0044873200000000, -0.1142435800000000 ] - [ 0.0017682600000000, -0.0001615300000000, 0.0013163700000000 ] - [ -0.0014315200000000, 0.0000419300000000, 0.0054343800000000 ] - [ 0.0018179300000000, -0.0004607900000000, -0.0003426000000000 ] - [ 0.0222724800000000, 0.0053087500000000, 0.0282957000000000 ] - [ 0.0040859400000000, -0.0004630700000000, 0.0006105900000000 ] - [ -0.0029230700000000, -0.0014226800000000, -0.0053197900000000 ] - [ 0.0019694100000000, -0.0002357200000000, 0.0022376600000000 ] - [ 0.0030986900000000, 0.0003082400000000, 0.0011922700000000 ] - [ 0.0289309000000000, 0.0305893800000000, 0.0017063900000000 ] - [ 0.0007465700000000, 0.0000293500000000, 0.0005471700000000 ] - [ -0.0010942400000000, 0.0002115500000000, 0.0013847700000000 ] - [ -0.0014721000000000, 0.0002006500000000, 0.0008573900000000 ] - [ 0.0028360200000000, -0.0001509300000000, -0.0013259100000000 ] - [ -0.0033375200000000, 0.0005833000000000, -0.0034755800000000 ] - [ -0.0004134700000000, -0.0001955900000000, 0.0011504800000000 ] - [ 0.0053256600000000, 0.0011273000000000, 0.0025298800000000 ] - [ 0.0011657100000000, -0.0006813500000000, 0.0033795000000000 ] - [ -0.0019357100000000, 0.0020180600000000, -0.0053594000000000 ] - [ 0.0008937600000000, 0.0002118800000000, -0.0007586800000000 ] - [ -0.0055221600000000, -0.0023978400000000, 0.0002937200000000 ] - [ 0.0009082700000000, 0.0004718300000000, -0.0004883500000000 ] - [ 0.0014640900000000, 0.0001677500000000, 0.0010278000000000 ] - [ 0.0052515100000000, 0.0000276300000000, 0.0003433100000000 ] - [ 0.0050427800000000, 0.0006205600000000, -0.0007474100000000 ] - [ 0.0015157000000000, -0.0003173200000000, -0.0008066900000000 ] - [ 0.0072747600000000, 0.0003852900000000, 0.0339646000000000 ] - [ -0.0022924100000000, 0.0000654300000000, -0.0013690400000000 ] - [ -0.0010369400000000, 0.0000787200000000, -0.0010629400000000 ] - [ -0.0003428300000000, -0.0004278700000000, 0.0001316900000000 ] - [ -0.0025694000000000, -0.0006298800000000, 0.0002315500000000 ] - [ 0.0532667100000000, -0.0016395200000000, -0.0017116000000000 ] - [ 0.0027568200000000, -0.0001780300000000, -0.0002303100000000 ] - [ 0.0004004800000000, 0.0014686500000000, 0.0031417500000000 ] - [ 0.0122040800000000, -0.0030224000000000, -0.0086304800000000 ] - [ 0.0032781200000000, -0.0004388200000000, -0.0000713800000000 ] - [ -0.0135477400000000, -0.0017157500000000, 0.0000063800000000 ] - [ 0.0004841600000000, 0.0000726700000000, 0.0002987900000000 ] - [ 0.0007031000000000, -0.0002144800000000, 0.0004393600000000 ] - [ 0.0041005100000000, 0.0000559400000000, -0.0042514900000000 ] - [ 0.0046383300000000, 0.0001640200000000, -0.0003645200000000 ] - [ 0.0017197300000000, 0.0002750400000000, 0.0003770300000000 ] - [ -0.0023485400000000, 0.0015658200000000, 0.0051777000000000 ] - [ 0.0054375600000000, -0.0006157900000000, -0.0021335200000000 ] - [ 0.0022193900000000, -0.0252572400000000, 0.0132751700000000 ] - [ 0.0016790000000000, 0.0001826200000000, 0.0011426500000000 ]- atom: 35 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0087056700000000, 0.0040018700000000, 0.0068478300000000 ] - [ -0.0072447700000000, -0.0008567400000000, 0.0042096100000000 ] - [ 0.0032589700000000, 0.0002016300000000, -0.0000293900000000 ] - [ 0.0061422500000000, -0.0001463600000000, 0.0014547900000000 ] - [ 0.0107863000000000, -0.0004958200000000, 0.0025114100000000 ] - [ 0.0016171400000000, -0.0002666000000000, 0.0029255300000000 ] - [ 0.0082176400000000, 0.0000480700000000, -0.0017867700000000 ] - [ -0.0004390700000000, 0.0003291100000000, -0.0029401700000000 ] - [ -0.0002604500000000, 0.0002823800000000, 0.0031958500000000 ] - [ -0.0293812400000000, 0.0075710200000000, 0.0015040400000000 ] - [ 0.0027675000000000, -0.0005774700000000, -0.0052738000000000 ] - [ -0.0038657100000000, 0.0003724800000000, 0.0013978500000000 ] - [ -0.0781619500000000, -0.0254444600000000, -0.0373461700000000 ] - [ 0.0023160700000000, 0.0003392400000000, 0.0010341000000000 ] - [ -0.0051780400000000, -0.0060508000000000, 0.0100265000000000 ] - [ -0.0000603800000000, 0.0001290600000000, 0.0001391700000000 ] - [ 0.0058286900000000, 0.0000367400000000, -0.0008762100000000 ] - [ 0.0069247000000000, 0.0014946000000000, -0.0086548000000000 ] - [ 0.0032649100000000, -0.0005987600000000, -0.0020406900000000 ] - [ -0.0070796300000000, -0.0018349800000000, -0.0017526800000000 ] - [ 0.0000184100000000, 0.0000816000000000, 0.0000823700000000 ] - [ 0.0021228200000000, -0.0006277900000000, 0.0018299900000000 ] - [ 0.0015945600000000, -0.0001054900000000, 0.0007821100000000 ] - [ 0.0040563300000000, 0.0006120700000000, 0.0007053600000000 ] - [ -0.0040120500000000, -0.0004098000000000, -0.0031162500000000 ] - [ -0.0016029200000000, 0.0003721300000000, 0.0009181400000000 ] - [ 0.0056145000000000, -0.0009425200000000, 0.0010765100000000 ] - [ -0.0648955800000000, 0.0180397500000000, -0.0148316900000000 ] - [ 0.0020381400000000, 0.0002109100000000, -0.0008319500000000 ] - [ -0.0024193900000000, 0.0005788900000000, 0.0023983700000000 ] - [ 0.0068560700000000, -0.0085229400000000, -0.0137745300000000 ] - [ 0.0044708100000000, 0.0054071000000000, 0.0081918800000000 ] - [ -0.0059462000000000, 0.0027904500000000, 0.0010432700000000 ] - [ 0.0019646700000000, -0.0001071600000000, -0.0009726900000000 ] - [ 0.2701469800000000, 0.0098949800000000, 0.1135927400000000 ] - [ -0.0019616700000000, 0.0000732500000000, -0.0015873600000000 ] - [ 0.0014492200000000, 0.0002862400000000, -0.0054464500000000 ] - [ -0.0020444600000000, 0.0002004400000000, 0.0000860000000000 ] - [ -0.0226657700000000, -0.0052475400000000, -0.0289550900000000 ] - [ -0.0040751500000000, 0.0002330300000000, -0.0005046300000000 ] - [ 0.0031058300000000, 0.0016673600000000, 0.0050248600000000 ] - [ -0.0018590500000000, 0.0002548500000000, -0.0023198900000000 ] - [ -0.0030964100000000, -0.0006328500000000, -0.0011818300000000 ] - [ -0.0294034600000000, -0.0312208700000000, -0.0014953600000000 ] - [ -0.0009399500000000, 0.0000596000000000, -0.0002669800000000 ] - [ 0.0009883700000000, -0.0002334000000000, -0.0012922900000000 ] - [ 0.0014641400000000, -0.0004325300000000, -0.0009598300000000 ] - [ -0.0028297700000000, 0.0004034100000000, 0.0011916200000000 ] - [ 0.0032939400000000, -0.0001973900000000, 0.0035140000000000 ] - [ 0.0006095900000000, 0.0002867800000000, -0.0008754700000000 ] - [ -0.0048904000000000, -0.0010308300000000, -0.0021187200000000 ] - [ -0.0007464600000000, 0.0005847400000000, -0.0029616700000000 ] - [ 0.0020079700000000, -0.0023745100000000, 0.0053522100000000 ] - [ -0.0008977700000000, 0.0001169700000000, 0.0007504400000000 ] - [ 0.0050681900000000, 0.0022799600000000, 0.0000979500000000 ] - [ -0.0006640100000000, -0.0007296300000000, 0.0002327000000000 ] - [ -0.0016893400000000, 0.0000905700000000, -0.0007612600000000 ] - [ -0.0053443400000000, -0.0000032900000000, -0.0002451600000000 ] - [ -0.0050368900000000, -0.0003879200000000, 0.0006339500000000 ] - [ -0.0016297000000000, 0.0002958000000000, 0.0007107300000000 ] - [ -0.0072547500000000, -0.0001910000000000, -0.0333365500000000 ] - [ 0.0021865300000000, -0.0000403800000000, 0.0012753300000000 ] - [ 0.0012389800000000, -0.0001640900000000, 0.0007795800000000 ] - [ 0.0007572000000000, 0.0005196200000000, -0.0005382400000000 ] - [ 0.0025441000000000, 0.0003779100000000, -0.0003514200000000 ] - [ -0.0518790500000000, 0.0013749900000000, 0.0020099900000000 ] - [ -0.0027481500000000, -0.0002043500000000, 0.0002736900000000 ] - [ -0.0002670500000000, -0.0014847400000000, -0.0032238000000000 ] - [ -0.0123604200000000, 0.0030815500000000, 0.0088513600000000 ] - [ -0.0036933000000000, 0.0005351400000000, 0.0004789200000000 ] - [ 0.0133252700000000, 0.0022081100000000, 0.0000296500000000 ] - [ -0.0003792900000000, -0.0000931900000000, -0.0002088900000000 ] - [ -0.0004620900000000, 0.0004716100000000, -0.0001779600000000 ] - [ -0.0038940900000000, 0.0000322100000000, 0.0039401400000000 ] - [ -0.0050509300000000, -0.0002583200000000, -0.0000463500000000 ] - [ -0.0017121100000000, 0.0001053700000000, -0.0004187800000000 ] - [ 0.0023313600000000, -0.0013239100000000, -0.0050316900000000 ] - [ -0.0049868800000000, 0.0005158600000000, 0.0017155500000000 ] - [ -0.0024021400000000, 0.0248237100000000, -0.0132768000000000 ] - [ -0.0016716000000000, -0.0004347700000000, -0.0010058100000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002170400000000, -0.0020075500000000, 0.0010631000000000 ] - [ -0.0010234300000000, -0.0033630700000000, -0.0006847700000000 ] - [ 0.0003498500000000, 0.0001377300000000, -0.0004388100000000 ] - [ 0.0009116800000000, -0.0001177800000000, 0.0006228500000000 ] - [ -0.0012487000000000, -0.0027417600000000, 0.0007601100000000 ] - [ -0.0005118300000000, 0.0000819100000000, -0.0010347400000000 ] - [ 0.0006221500000000, 0.0000196600000000, 0.0000580900000000 ] - [ 0.0003792800000000, -0.0004489500000000, -0.0004645200000000 ] - [ -0.0013814400000000, -0.0001431800000000, -0.0007841000000000 ] - [ -0.0094036600000000, 0.0214761600000000, 0.0322076800000000 ] - [ 0.0028068000000000, -0.0005272800000000, -0.0005473300000000 ] - [ 0.0001221700000000, -0.0001043600000000, -0.0030594500000000 ] - [ 0.0167978500000000, 0.0714715300000000, 0.0310379700000000 ] - [ 0.0001981100000000, 0.0000150300000000, -0.0002842100000000 ] - [ -0.0018182700000000, 0.0010802100000000, -0.0018284700000000 ] - [ -0.0000189600000000, 0.0001324100000000, -0.0002007200000000 ] - [ 0.0004222200000000, 0.0002674600000000, 0.0007887700000000 ] - [ -0.0018503800000000, 0.0055438800000000, 0.0071957200000000 ] - [ 0.0001853700000000, 0.0001557800000000, -0.0003269200000000 ] - [ 0.0056489700000000, 0.0034695700000000, -0.0027996800000000 ] - [ 0.0005948600000000, -0.0002462500000000, -0.0012719900000000 ] - [ -0.0007787700000000, -0.0003432400000000, 0.0001851300000000 ] - [ 0.0002324300000000, -0.0002410700000000, -0.0004645600000000 ] - [ -0.0001147900000000, 0.0001177200000000, -0.0005089000000000 ] - [ 0.0012436000000000, 0.0005553800000000, -0.0011574200000000 ] - [ -0.0000044100000000, 0.0003621200000000, -0.0015609900000000 ] - [ 0.0001932500000000, -0.0004100400000000, 0.0004678800000000 ] - [ -0.0115101400000000, 0.0514605500000000, 0.0037031100000000 ] - [ 0.0006343900000000, 0.0001029500000000, 0.0001858600000000 ] - [ -0.0003017800000000, 0.0002506500000000, -0.0009999000000000 ] - [ 0.0006855600000000, 0.0006147000000000, 0.0008814700000000 ] - [ -0.0002279800000000, 0.0016872500000000, 0.0005660600000000 ] - [ 0.0001472900000000, -0.0005049400000000, -0.0000797400000000 ] - [ -0.0001430600000000, 0.0000303200000000, 0.0008274000000000 ] - [ -0.0065874300000000, -0.2143134400000000, -0.0867608900000000 ] - [ 0.0000474400000000, 0.0000581000000000, -0.0001397500000000 ] - [ 0.0008235600000000, 0.0004496400000000, 0.0002279000000000 ] - [ -0.0004499600000000, -0.0000312700000000, -0.0000017300000000 ] - [ -0.0049244400000000, -0.0069196500000000, -0.0062847600000000 ] - [ 0.0001781200000000, -0.0002544100000000, 0.0001814700000000 ] - [ -0.0014305400000000, 0.0001506200000000, -0.0001999000000000 ] - [ 0.0003319600000000, 0.0003774000000000, -0.0007695900000000 ] - [ -0.0000136500000000, -0.0002713100000000, -0.0005185200000000 ] - [ 0.0334127800000000, 0.0237619900000000, 0.0017819700000000 ] - [ -0.0001345100000000, -0.0000027200000000, 0.0003657000000000 ] - [ 0.0000753000000000, -0.0000965900000000, 0.0011122200000000 ] - [ 0.0003911800000000, 0.0003493300000000, 0.0011241200000000 ] - [ -0.0005972100000000, -0.0001707400000000, -0.0005886800000000 ] - [ 0.0001385700000000, -0.0011831000000000, -0.0016633000000000 ] - [ 0.0001230700000000, -0.0000047900000000, 0.0010852900000000 ] - [ -0.0001898100000000, 0.0000681300000000, 0.0002654800000000 ] - [ 0.0016082000000000, -0.0010307500000000, 0.0002201900000000 ] - [ -0.0046162100000000, 0.0034043500000000, -0.0020439800000000 ] - [ -0.0000690900000000, 0.0002267900000000, 0.0002911800000000 ] - [ 0.0011763500000000, 0.0019760000000000, 0.0028859000000000 ] - [ -0.0004850200000000, -0.0002949200000000, 0.0001840500000000 ] - [ -0.0001560300000000, 0.0000751300000000, 0.0003590000000000 ] - [ -0.0008785100000000, 0.0003795000000000, 0.0000977200000000 ] - [ -0.0000221800000000, 0.0004836700000000, -0.0008301300000000 ] - [ -0.0002150400000000, -0.0000142700000000, 0.0001024200000000 ] - [ 0.0060812000000000, -0.0058434300000000, 0.0089893300000000 ] - [ -0.0012811800000000, -0.0015139700000000, 0.0020554800000000 ] - [ -0.0007349700000000, -0.0002956100000000, 0.0008545300000000 ] - [ 0.0001558600000000, -0.0001190800000000, 0.0003162800000000 ] - [ -0.0015389600000000, -0.0004115200000000, 0.0023722500000000 ] - [ 0.0015014300000000, -0.0058169100000000, -0.0020258500000000 ] - [ -0.0007716100000000, -0.0000613400000000, 0.0000031900000000 ] - [ 0.0008435800000000, -0.0004341700000000, 0.0004046500000000 ] - [ -0.0053539100000000, -0.0012017600000000, -0.0000451700000000 ] - [ -0.0002676500000000, 0.0000021400000000, 0.0003087400000000 ] - [ 0.0018398600000000, 0.0201373600000000, 0.0329153900000000 ] - [ 0.0000143200000000, -0.0000055900000000, 0.0004590000000000 ] - [ -0.0002273200000000, -0.0000211500000000, 0.0008024000000000 ] - [ -0.0001245600000000, -0.0000618900000000, -0.0001153400000000 ] - [ -0.0003958200000000, 0.0000277100000000, -0.0004765100000000 ] - [ -0.0000482600000000, 0.0003147000000000, 0.0002108200000000 ] - [ 0.0009497600000000, 0.0010381100000000, 0.0016357000000000 ] - [ 0.0011092500000000, -0.0009922800000000, -0.0021787000000000 ] - [ -0.0209140300000000, 0.0403716300000000, -0.0194479400000000 ] - [ 0.0000049100000000, -0.0001191300000000, 0.0004244100000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001874400000000, 0.0017813300000000, -0.0010713000000000 ] - [ 0.0014075300000000, 0.0036383600000000, 0.0007235300000000 ] - [ 0.0000592100000000, 0.0001312800000000, 0.0003847000000000 ] - [ -0.0004995300000000, -0.0001520200000000, -0.0005709400000000 ] - [ 0.0003912200000000, 0.0027455200000000, -0.0007364800000000 ] - [ 0.0001154600000000, 0.0001886700000000, 0.0009808800000000 ] - [ 0.0002686700000000, -0.0000193600000000, -0.0000552300000000 ] - [ -0.0007715400000000, 0.0007228700000000, 0.0004901800000000 ] - [ 0.0005039000000000, 0.0001451200000000, 0.0007796100000000 ] - [ 0.0093889600000000, -0.0207508200000000, -0.0308603500000000 ] - [ -0.0031667900000000, 0.0002599500000000, 0.0005840000000000 ] - [ 0.0007327200000000, 0.0001062200000000, 0.0030321500000000 ] - [ -0.0184085700000000, -0.0723044400000000, -0.0330440000000000 ] - [ -0.0000292800000000, -0.0000157100000000, 0.0002820800000000 ] - [ 0.0017892700000000, -0.0012038100000000, 0.0015173300000000 ] - [ -0.0000650300000000, 0.0000801600000000, 0.0004719700000000 ] - [ -0.0004057900000000, -0.0003618500000000, -0.0004414900000000 ] - [ 0.0017364400000000, -0.0057678200000000, -0.0069052400000000 ] - [ -0.0000911400000000, 0.0000567900000000, 0.0000433500000000 ] - [ -0.0056598300000000, -0.0038385400000000, 0.0028807800000000 ] - [ -0.0007488900000000, 0.0002434400000000, 0.0012584500000000 ] - [ 0.0006888800000000, 0.0001264500000000, -0.0004510800000000 ] - [ -0.0002286600000000, -0.0001099600000000, 0.0003364600000000 ] - [ 0.0001170000000000, -0.0000342500000000, 0.0001656200000000 ] - [ -0.0011606300000000, -0.0007653300000000, 0.0008718900000000 ] - [ -0.0000022900000000, -0.0002769300000000, 0.0018936500000000 ] - [ -0.0000890600000000, 0.0001910800000000, -0.0001865500000000 ] - [ 0.0125681100000000, -0.0509736200000000, -0.0033002500000000 ] - [ -0.0006246300000000, 0.0002477200000000, -0.0000606600000000 ] - [ 0.0003873800000000, -0.0000374500000000, 0.0012627700000000 ] - [ -0.0008151500000000, -0.0006626700000000, -0.0009303100000000 ] - [ 0.0001328500000000, -0.0014904700000000, -0.0008533000000000 ] - [ 0.0000185300000000, 0.0004415000000000, 0.0003591700000000 ] - [ -0.0002906800000000, 0.0000275400000000, -0.0012271800000000 ] - [ 0.0078220300000000, 0.2143136700000000, 0.0873925200000000 ] - [ -0.0002436900000000, -0.0001330200000000, -0.0001416200000000 ] - [ -0.0008205900000000, -0.0001167000000000, -0.0002245900000000 ] - [ 0.0001956300000000, -0.0002491200000000, -0.0002517400000000 ] - [ 0.0047535800000000, 0.0070447400000000, 0.0060055200000000 ] - [ -0.0001811000000000, -0.0000100600000000, -0.0000451100000000 ] - [ 0.0016722000000000, 0.0001424500000000, -0.0000372100000000 ] - [ -0.0002308200000000, -0.0003318100000000, 0.0006745700000000 ] - [ 0.0000060900000000, -0.0000609800000000, 0.0005133700000000 ] - [ -0.0341055100000000, -0.0239219000000000, -0.0015784200000000 ] - [ -0.0000579700000000, 0.0000775000000000, -0.0000812900000000 ] - [ -0.0001787500000000, 0.0000515400000000, -0.0010154400000000 ] - [ -0.0003868100000000, -0.0006079700000000, -0.0012507200000000 ] - [ 0.0005911500000000, 0.0003973200000000, 0.0004492400000000 ] - [ -0.0001410600000000, 0.0015894400000000, 0.0017022600000000 ] - [ 0.0000696500000000, 0.0000815500000000, -0.0008005400000000 ] - [ 0.0006329900000000, -0.0000076300000000, 0.0001387500000000 ] - [ -0.0011632900000000, 0.0009707400000000, 0.0001800600000000 ] - [ 0.0045722800000000, -0.0036942500000000, 0.0020400500000000 ] - [ 0.0000651300000000, 0.0001107600000000, -0.0002851000000000 ] - [ -0.0015896600000000, -0.0019980000000000, -0.0024553000000000 ] - [ 0.0007330200000000, 0.0000106300000000, -0.0004344500000000 ] - [ -0.0000940500000000, 0.0002066300000000, -0.0000974400000000 ] - [ 0.0007594500000000, -0.0003390900000000, -0.0000163500000000 ] - [ 0.0000143900000000, -0.0002153100000000, 0.0006915700000000 ] - [ 0.0001022300000000, -0.0000336700000000, -0.0001932500000000 ] - [ -0.0061689800000000, 0.0059606200000000, -0.0089392000000000 ] - [ 0.0011602200000000, 0.0015326700000000, -0.0021189100000000 ] - [ 0.0009224300000000, 0.0002136100000000, -0.0011233300000000 ] - [ 0.0002774800000000, 0.0001795900000000, -0.0007130700000000 ] - [ 0.0015485300000000, 0.0001837300000000, -0.0025124500000000 ] - [ -0.0015002000000000, 0.0055233600000000, 0.0022569900000000 ] - [ 0.0007626400000000, -0.0003550600000000, 0.0000019900000000 ] - [ -0.0007277400000000, 0.0003836400000000, -0.0004973200000000 ] - [ 0.0054539000000000, 0.0012244000000000, 0.0001332200000000 ] - [ -0.0001750200000000, 0.0000609900000000, 0.0000946600000000 ] - [ -0.0021006300000000, -0.0199195600000000, -0.0336326700000000 ] - [ 0.0000884800000000, -0.0000459400000000, -0.0003616700000000 ] - [ 0.0004759300000000, 0.0003049500000000, -0.0005389600000000 ] - [ 0.0002965400000000, 0.0001393000000000, -0.0001508000000000 ] - [ -0.0000530500000000, -0.0000865100000000, 0.0000693800000000 ] - [ 0.0000451700000000, 0.0000940200000000, -0.0002179300000000 ] - [ -0.0009383200000000, -0.0007686600000000, -0.0015061500000000 ] - [ -0.0006944700000000, 0.0009331100000000, 0.0017797500000000 ] - [ 0.0214764000000000, -0.0410990500000000, 0.0197607600000000 ] - [ -0.0000070600000000, -0.0001055900000000, -0.0002878600000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0098731000000000, -0.0018142100000000, 0.0027300400000000 ] - [ -0.0019956300000000, -0.0008414400000000, -0.0113124700000000 ] - [ -0.0004572300000000, 0.0001579800000000, -0.0015267100000000 ] - [ -0.0018301400000000, -0.0001626300000000, -0.0000874200000000 ] - [ -0.0068818700000000, 0.0009091300000000, 0.0064690700000000 ] - [ -0.0028400900000000, 0.0005905400000000, -0.0044078000000000 ] - [ -0.0013645800000000, -0.0001052700000000, 0.0031255900000000 ] - [ 0.0058519200000000, 0.0006501400000000, -0.0017382300000000 ] - [ -0.0019870700000000, -0.0005256100000000, -0.0059892500000000 ] - [ 0.0035015800000000, 0.0274655000000000, 0.0419306300000000 ] - [ 0.0039417800000000, 0.0002314100000000, -0.0005410200000000 ] - [ 0.0022559400000000, -0.0004227600000000, -0.0083900000000000 ] - [ 0.0237354800000000, 0.0263268600000000, 0.0703607700000000 ] - [ -0.0008255300000000, -0.0002351200000000, -0.0024802300000000 ] - [ 0.0006333900000000, 0.0058826800000000, -0.0130846400000000 ] - [ 0.0008222900000000, 0.0002119700000000, -0.0014136900000000 ] - [ -0.0004321500000000, -0.0005563200000000, 0.0020141900000000 ] - [ 0.0008458200000000, 0.0025579600000000, 0.0102545200000000 ] - [ -0.0003673600000000, 0.0004203500000000, 0.0002996500000000 ] - [ 0.0132762200000000, -0.0005901400000000, -0.0058783000000000 ] - [ 0.0007373100000000, -0.0007091100000000, -0.0038871500000000 ] - [ -0.0034213500000000, 0.0004334500000000, -0.0010683400000000 ] - [ -0.0005179800000000, -0.0005310200000000, -0.0017402200000000 ] - [ -0.0028170700000000, -0.0014935600000000, -0.0001018000000000 ] - [ 0.0038604200000000, 0.0004095300000000, -0.0040550700000000 ] - [ 0.0010026900000000, -0.0000399600000000, -0.0057538100000000 ] - [ -0.0013751600000000, 0.0000926100000000, 0.0017007100000000 ] - [ 0.0260256700000000, -0.0075139600000000, 0.0595194300000000 ] - [ 0.0001574400000000, -0.0001174700000000, -0.0001078500000000 ] - [ 0.0004004300000000, -0.0000076100000000, -0.0043939100000000 ] - [ 0.0008789400000000, 0.0022059600000000, 0.0071892800000000 ] - [ -0.0055953700000000, -0.0045672600000000, -0.0076817900000000 ] - [ 0.0011336000000000, 0.0000849800000000, -0.0024372600000000 ] - [ -0.0009144700000000, 0.0002232600000000, 0.0034370800000000 ] - [ -0.1130554800000000, -0.0861415100000000, -0.2335681000000000 ] - [ 0.0015150900000000, -0.0000576000000000, 0.0015060100000000 ] - [ 0.0010849100000000, 0.0010805100000000, 0.0055187100000000 ] - [ 0.0000860800000000, -0.0002732400000000, 0.0007779400000000 ] - [ 0.0268230400000000, 0.0041536100000000, 0.0200028000000000 ] - [ 0.0017901200000000, 0.0002994900000000, -0.0007413400000000 ] - [ -0.0050354200000000, 0.0000737500000000, -0.0036676100000000 ] - [ 0.0023303300000000, 0.0000758600000000, 0.0017161400000000 ] - [ 0.0020317800000000, 0.0003435000000000, -0.0005655600000000 ] - [ 0.0074361600000000, 0.0070627200000000, -0.0153226800000000 ] - [ -0.0001760600000000, -0.0001246000000000, 0.0018200800000000 ] - [ 0.0000396600000000, -0.0001069100000000, 0.0038733100000000 ] - [ -0.0002659300000000, 0.0015605600000000, 0.0039829000000000 ] - [ -0.0001172900000000, -0.0003429400000000, -0.0010020400000000 ] - [ -0.0075961600000000, -0.0011999200000000, 0.0067496800000000 ] - [ 0.0004484600000000, -0.0001940600000000, 0.0036494000000000 ] - [ 0.0057316500000000, 0.0003939000000000, 0.0016121200000000 ] - [ 0.0036363400000000, -0.0020748300000000, 0.0032134800000000 ] - [ -0.0092633700000000, 0.0030482300000000, -0.0012534800000000 ] - [ -0.0003980700000000, 0.0005723400000000, 0.0007161800000000 ] - [ -0.0018235400000000, -0.0000753200000000, 0.0048366200000000 ] - [ -0.0002364600000000, -0.0004601800000000, 0.0013119400000000 ] - [ 0.0007670500000000, -0.0000795300000000, 0.0017236300000000 ] - [ 0.0015942500000000, -0.0003557200000000, -0.0014497400000000 ] - [ 0.0010243000000000, 0.0011907100000000, -0.0021559800000000 ] - [ -0.0007138200000000, -0.0001774500000000, -0.0005104500000000 ] - [ 0.0303769200000000, 0.0008473700000000, 0.0401985000000000 ] - [ -0.0026131300000000, -0.0003608400000000, 0.0034518500000000 ] - [ -0.0019482200000000, -0.0001539900000000, 0.0027384200000000 ] - [ -0.0008538300000000, -0.0003921000000000, 0.0024167700000000 ] - [ -0.0032299200000000, -0.0003943200000000, 0.0054128400000000 ] - [ 0.0017746200000000, -0.0022800400000000, -0.0132265800000000 ] - [ -0.0002160900000000, 0.0002473900000000, 0.0003907200000000 ] - [ 0.0030115400000000, 0.0014438800000000, 0.0014429000000000 ] - [ -0.0054573800000000, 0.0001836400000000, -0.0054253100000000 ] - [ 0.0010233800000000, -0.0002825300000000, -0.0000753400000000 ] - [ -0.0001214500000000, 0.0330952700000000, 0.0366011600000000 ] - [ -0.0002091300000000, -0.0000358800000000, 0.0020384500000000 ] - [ -0.0001840200000000, -0.0005199400000000, 0.0022852400000000 ] - [ 0.0000607300000000, -0.0000380600000000, -0.0022323800000000 ] - [ 0.0009257100000000, -0.0001594700000000, -0.0012098000000000 ] - [ 0.0009344200000000, 0.0006898400000000, 0.0009943700000000 ] - [ -0.0002158900000000, 0.0028043700000000, 0.0073876400000000 ] - [ 0.0003952200000000, -0.0009145700000000, -0.0029257000000000 ] - [ 0.0123047300000000, -0.0107234400000000, -0.0052937100000000 ] - [ 0.0010193300000000, 0.0001312100000000, 0.0013019800000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0094941500000000, 0.0015546100000000, -0.0026980500000000 ] - [ 0.0024071200000000, 0.0010870800000000, 0.0113926000000000 ] - [ 0.0008688200000000, 0.0001041300000000, 0.0014711300000000 ] - [ 0.0022473700000000, -0.0000979400000000, 0.0001555500000000 ] - [ 0.0060289700000000, -0.0009374200000000, -0.0065128500000000 ] - [ 0.0024547700000000, -0.0003320500000000, 0.0043659000000000 ] - [ 0.0022581700000000, 0.0001057600000000, -0.0031430700000000 ] - [ -0.0062941200000000, -0.0003974700000000, 0.0017689200000000 ] - [ 0.0011037000000000, 0.0005266700000000, 0.0060029200000000 ] - [ -0.0035442800000000, -0.0263292600000000, -0.0409287800000000 ] - [ -0.0043168100000000, -0.0004795000000000, 0.0006047000000000 ] - [ -0.0013958500000000, 0.0004222500000000, 0.0083974400000000 ] - [ -0.0268317100000000, -0.0289747100000000, -0.0729153100000000 ] - [ 0.0009913200000000, 0.0002329700000000, 0.0024893100000000 ] - [ -0.0006280600000000, -0.0059489200000000, 0.0127436700000000 ] - [ -0.0009203300000000, 0.0000032000000000, 0.0016876200000000 ] - [ 0.0004388600000000, 0.0004655800000000, -0.0016692400000000 ] - [ -0.0009560100000000, -0.0027905600000000, -0.0099062000000000 ] - [ 0.0004662000000000, -0.0002078800000000, -0.0005912800000000 ] - [ -0.0133365600000000, 0.0002482400000000, 0.0059780200000000 ] - [ -0.0008883300000000, 0.0007087700000000, 0.0038929100000000 ] - [ 0.0033262700000000, -0.0006493400000000, 0.0008129400000000 ] - [ 0.0005245500000000, 0.0001792700000000, 0.0016203500000000 ] - [ 0.0028335800000000, 0.0015958200000000, -0.0002523800000000 ] - [ -0.0037824900000000, -0.0006320300000000, 0.0037547600000000 ] - [ -0.0010139200000000, 0.0001359200000000, 0.0061071800000000 ] - [ 0.0014872600000000, -0.0003193100000000, -0.0014177800000000 ] - [ -0.0242408800000000, 0.0071676800000000, -0.0590428800000000 ] - [ -0.0001473300000000, 0.0004720000000000, 0.0002380700000000 ] - [ -0.0003090700000000, 0.0002274200000000, 0.0046752200000000 ] - [ -0.0010068500000000, -0.0022777600000000, -0.0073063900000000 ] - [ 0.0055092200000000, 0.0048162100000000, 0.0074259600000000 ] - [ -0.0009717500000000, -0.0001398500000000, 0.0027265900000000 ] - [ 0.0004864800000000, -0.0001639000000000, -0.0038568100000000 ] - [ 0.1147208700000000, 0.0880472600000000, 0.2349449500000000 ] - [ -0.0017206900000000, -0.0000204800000000, -0.0017964600000000 ] - [ -0.0010908500000000, -0.0007580900000000, -0.0055383800000000 ] - [ -0.0003367400000000, -0.0000156000000000, -0.0010458600000000 ] - [ -0.0274601700000000, -0.0041054200000000, -0.0205565000000000 ] - [ -0.0017972100000000, -0.0005463600000000, 0.0008735500000000 ] - [ 0.0053074700000000, 0.0002274500000000, 0.0034533300000000 ] - [ -0.0022218000000000, -0.0000302400000000, -0.0018208000000000 ] - [ -0.0020424600000000, -0.0006777600000000, 0.0005517900000000 ] - [ -0.0073627600000000, -0.0069231800000000, 0.0157329900000000 ] - [ -0.0000210400000000, 0.0002010500000000, -0.0015407900000000 ] - [ -0.0001440800000000, 0.0000678900000000, -0.0037920800000000 ] - [ 0.0002735400000000, -0.0018007600000000, -0.0041086400000000 ] - [ 0.0001151400000000, 0.0005680400000000, 0.0008456900000000 ] - [ 0.0076898100000000, 0.0016079800000000, -0.0068515900000000 ] - [ -0.0002522700000000, 0.0002750400000000, -0.0033805100000000 ] - [ -0.0053372200000000, -0.0003296000000000, -0.0012095100000000 ] - [ -0.0031954100000000, 0.0019986700000000, -0.0028232800000000 ] - [ 0.0091513400000000, -0.0033384400000000, 0.0012746000000000 ] - [ 0.0003992700000000, -0.0002381100000000, -0.0007059000000000 ] - [ 0.0014014400000000, 0.0000122200000000, -0.0044349800000000 ] - [ 0.0004808500000000, 0.0001686200000000, -0.0015796200000000 ] - [ -0.0010200400000000, 0.0003693900000000, -0.0014610000000000 ] - [ -0.0017308700000000, 0.0003938200000000, 0.0015339100000000 ] - [ -0.0010266900000000, -0.0009514000000000, 0.0020408100000000 ] - [ 0.0006076000000000, 0.0001387500000000, 0.0004285200000000 ] - [ -0.0297171000000000, -0.0005430400000000, -0.0393109200000000 ] - [ 0.0025049200000000, 0.0004070500000000, -0.0035419600000000 ] - [ 0.0021468200000000, 0.0000744600000000, -0.0030215600000000 ] - [ 0.0012961900000000, 0.0004566800000000, -0.0028302700000000 ] - [ 0.0032430000000000, 0.0001708900000000, -0.0055671800000000 ] - [ -0.0019519700000000, 0.0020092800000000, 0.0134832500000000 ] - [ 0.0002101200000000, -0.0006460300000000, -0.0003967700000000 ] - [ -0.0029106000000000, -0.0014904800000000, -0.0015278100000000 ] - [ 0.0056093400000000, -0.0001501300000000, 0.0054691100000000 ] - [ -0.0014703200000000, 0.0003513200000000, 0.0004906100000000 ] - [ -0.0001484300000000, -0.0334620000000000, -0.0373268300000000 ] - [ 0.0003144700000000, -0.0000082200000000, -0.0019481400000000 ] - [ 0.0004318700000000, 0.0008151700000000, -0.0020219600000000 ] - [ 0.0001169900000000, 0.0001186900000000, 0.0019843200000000 ] - [ -0.0013713300000000, 0.0000996000000000, 0.0007997500000000 ] - [ -0.0009416300000000, -0.0003026800000000, -0.0009978300000000 ] - [ 0.0002159500000000, -0.0025629100000000, -0.0072630800000000 ] - [ 0.0000476000000000, 0.0008527800000000, 0.0025048500000000 ] - [ -0.0123284600000000, 0.0104510400000000, 0.0050736700000000 ] - [ -0.0010268700000000, -0.0003579100000000, -0.0011562400000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0021328500000000, -0.0001547000000000, 0.0001407500000000 ] - [ 0.0316925900000000, 0.0176794400000000, 0.0000919300000000 ] - [ -0.0073981700000000, 0.0001567800000000, -0.0007603800000000 ] - [ -0.0017278100000000, -0.0001006400000000, 0.0002076800000000 ] - [ 0.0035889200000000, 0.0013711400000000, 0.0076001200000000 ] - [ 0.0305923400000000, -0.0164471500000000, -0.0002965700000000 ] - [ -0.0043358100000000, 0.0000486300000000, 0.0020955400000000 ] - [ -0.0078237300000000, 0.0000959900000000, -0.0006963400000000 ] - [ -0.0051737500000000, -0.0000508900000000, 0.0021096900000000 ] - [ 0.0023467100000000, -0.0002051500000000, 0.0001663800000000 ] - [ 0.0019157800000000, -0.0000437500000000, 0.0002293600000000 ] - [ 0.0045026200000000, -0.0013776300000000, 0.0075922000000000 ] - [ 0.0071205400000000, -0.0029464100000000, -0.0037704400000000 ] - [ -0.0029414200000000, 0.0008580000000000, -0.0011735900000000 ] - [ -0.0002114200000000, 0.0010641400000000, 0.0017357700000000 ] - [ -0.0046963900000000, 0.0004904000000000, -0.0002670200000000 ] - [ -0.0002218300000000, -0.0011865400000000, 0.0020988300000000 ] - [ 0.0016908500000000, -0.0003368800000000, 0.0007529600000000 ] - [ -0.0045925600000000, -0.0002455000000000, -0.0005417300000000 ] - [ -0.0041587600000000, 0.0002319000000000, -0.0034792300000000 ] - [ 0.0068276500000000, 0.0028552400000000, -0.0037640900000000 ] - [ -0.0016726000000000, 0.0000954500000000, 0.0001577100000000 ] - [ -0.0041303400000000, -0.0006058100000000, -0.0035913200000000 ] - [ -0.0105163300000000, -0.0074216200000000, -0.0014865900000000 ] - [ 0.0018060000000000, 0.0000867700000000, 0.0004772700000000 ] - [ -0.0105177100000000, 0.0075690200000000, -0.0011220700000000 ] - [ -0.0015712500000000, -0.0003389500000000, 0.0004205800000000 ] - [ -0.0002709600000000, 0.0001678700000000, -0.0004148500000000 ] - [ -0.0002849100000000, 0.0002105800000000, -0.0002908700000000 ] - [ 0.0442545400000000, -0.0074827200000000, -0.0200016000000000 ] - [ -0.0031088000000000, -0.0008622500000000, -0.0011875800000000 ] - [ 0.0436710500000000, 0.0072900200000000, -0.0187513100000000 ] - [ 0.0018159000000000, -0.0002989000000000, 0.0004181100000000 ] - [ 0.0380990700000000, -0.0022567400000000, -0.0328573600000000 ] - [ -0.0015750900000000, 0.0007018500000000, 0.0012141500000000 ] - [ 0.0016159200000000, 0.0001955200000000, 0.0001287800000000 ] - [ -0.1767729600000000, -0.0005296200000000, 0.1009448400000000 ] - [ 0.0007772700000000, -0.0001966700000000, 0.0002653900000000 ] - [ -0.0171711200000000, 0.0025749000000000, 0.0022361300000000 ] - [ 0.0026030000000000, 0.0033414900000000, -0.0029477300000000 ] - [ 0.0032231200000000, 0.0001170000000000, 0.0019131200000000 ] - [ 0.0012777400000000, -0.0001482100000000, -0.0006696800000000 ] - [ 0.0011987900000000, -0.0001659700000000, -0.0005638100000000 ] - [ -0.0027437900000000, -0.0005337700000000, 0.0001159000000000 ] - [ 0.0029033600000000, -0.0001033200000000, -0.0000204300000000 ] - [ -0.0108729800000000, -0.0110727700000000, -0.0085348300000000 ] - [ 0.0025840600000000, -0.0035506600000000, -0.0030407600000000 ] - [ 0.0000789800000000, -0.0000643400000000, -0.0009383400000000 ] - [ 0.0042060600000000, -0.0000897700000000, 0.0018275200000000 ] - [ -0.0169472200000000, -0.0025018100000000, 0.0029809100000000 ] - [ 0.0378540100000000, 0.0023894600000000, -0.0317078400000000 ] - [ 0.0014585500000000, -0.0001024300000000, -0.0005178400000000 ] - [ -0.0013720400000000, -0.0001625400000000, -0.0009037000000000 ] - [ 0.0036963500000000, 0.0001658400000000, 0.0013087600000000 ] - [ -0.0011974800000000, 0.0002331200000000, -0.0008740400000000 ] - [ -0.0012985800000000, -0.0009448900000000, 0.0009582300000000 ] - [ 0.0029717400000000, 0.0001388000000000, 0.0021642100000000 ] - [ 0.0011619300000000, 0.0001594900000000, -0.0005814400000000 ] - [ 0.0012575000000000, 0.0006962800000000, -0.0025071200000000 ] - [ 0.0029346200000000, 0.0003428700000000, 0.0000944800000000 ] - [ 0.0000700800000000, 0.0003262900000000, -0.0007964500000000 ] - [ -0.0015240900000000, -0.0003034300000000, -0.0008719100000000 ] - [ -0.0025385500000000, 0.0004524900000000, -0.0001566400000000 ] - [ 0.0066379000000000, 0.0002138600000000, -0.0004694700000000 ] - [ 0.0047965400000000, -0.0001627400000000, 0.0003001900000000 ] - [ 0.0010136700000000, -0.0000600500000000, 0.0005359200000000 ] - [ 0.0001769600000000, 0.0001091600000000, 0.0005012400000000 ] - [ -0.0105843800000000, 0.0112337200000000, -0.0086867900000000 ] - [ -0.0014013700000000, 0.0003147700000000, -0.0008006500000000 ] - [ 0.0061867300000000, -0.0000966500000000, -0.0000548000000000 ] - [ -0.0021016900000000, 0.0047493000000000, 0.0091430400000000 ] - [ 0.0030492500000000, -0.0003539100000000, 0.0001746900000000 ] - [ -0.0018412900000000, -0.0044356700000000, 0.0092746700000000 ] - [ 0.0030999100000000, 0.0002065000000000, -0.0002973000000000 ] - [ 0.0010212300000000, -0.0000078500000000, -0.0009278700000000 ] - [ 0.0041847800000000, 0.0004208200000000, 0.0017686300000000 ] - [ 0.0012432700000000, -0.0005038200000000, -0.0024397000000000 ] - [ -0.0007385800000000, -0.0003483800000000, -0.0012853200000000 ] - [ 0.0001669200000000, -0.0004414000000000, 0.0004561900000000 ] - [ 0.0047937900000000, -0.0001120100000000, 0.0004455400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001400400000000, -0.0001561700000000, -0.0003783300000000 ] - [ 0.0261986800000000, 0.0165355500000000, 0.0113561400000000 ] - [ 0.0013043100000000, 0.0001316300000000, -0.0002781200000000 ] - [ 0.0001400400000000, -0.0001561700000000, 0.0003783300000000 ] - [ -0.0022499300000000, -0.0014081800000000, 0.0027524900000000 ] - [ -0.0261986800000000, 0.0165355500000000, -0.0113561400000000 ] - [ -0.0005857800000000, -0.0000129900000000, -0.0005225900000000 ] - [ -0.0013043100000000, 0.0001316300000000, 0.0002781200000000 ] - [ 0.0005857800000000, -0.0000129900000000, 0.0005225900000000 ] - [ 0.0007965300000000, -0.0002269000000000, -0.0005519700000000 ] - [ -0.0007965300000000, -0.0002269000000000, 0.0005519700000000 ] - [ 0.0022499300000000, -0.0014081800000000, -0.0027524900000000 ] - [ 0.0015508400000000, 0.0006804300000000, -0.0000966100000000 ] - [ 0.0004308100000000, -0.0001153500000000, 0.0006398500000000 ] - [ 0.0003216400000000, -0.0002720700000000, -0.0007586500000000 ] - [ 0.0000487200000000, 0.0000973100000000, 0.0003279100000000 ] - [ -0.0003216400000000, -0.0002720700000000, 0.0007586500000000 ] - [ 0.0000219300000000, -0.0002599400000000, 0.0001463400000000 ] - [ -0.0000487200000000, 0.0000973100000000, -0.0003279100000000 ] - [ -0.0003192400000000, 0.0000490700000000, -0.0005573700000000 ] - [ -0.0015508400000000, 0.0006804300000000, 0.0000966100000000 ] - [ 0.0002647400000000, -0.0001488400000000, -0.0000175800000000 ] - [ 0.0003192400000000, 0.0000490700000000, 0.0005573700000000 ] - [ -0.0015202800000000, 0.0001113100000000, -0.0018409900000000 ] - [ -0.0000219300000000, -0.0002599400000000, -0.0001463400000000 ] - [ 0.0015202800000000, 0.0001113100000000, 0.0018409900000000 ] - [ -0.0002647400000000, -0.0001488400000000, 0.0000175800000000 ] - [ 0.0000257000000000, 0.0002654800000000, -0.0005622500000000 ] - [ -0.0000257000000000, 0.0002654800000000, 0.0005622500000000 ] - [ -0.0027314500000000, 0.0488637500000000, 0.0070135800000000 ] - [ -0.0004308100000000, -0.0001153500000000, -0.0006398500000000 ] - [ 0.0027314500000000, 0.0488637500000000, -0.0070135800000000 ] - [ 0.0003493900000000, -0.0000890900000000, 0.0004054600000000 ] - [ 0.0016329200000000, -0.0069460000000000, -0.0003474100000000 ] - [ -0.0002446800000000, 0.0001517800000000, 0.0010465500000000 ] - [ -0.0003493900000000, -0.0000890900000000, -0.0004054600000000 ] - [ 0.0000000000000000, -0.2036885500000000, 0.0000000000000000 ] - [ -0.0000648200000000, -0.0000765900000000, -0.0005389000000000 ] - [ 0.0015034200000000, -0.0070998700000000, 0.0061444300000000 ] - [ 0.0012820200000000, -0.0010603800000000, 0.0007699500000000 ] - [ 0.0005894500000000, 0.0000283600000000, 0.0003865300000000 ] - [ -0.0001124900000000, -0.0000006700000000, -0.0000560800000000 ] - [ 0.0000000000000000, -0.0001384300000000, 0.0000000000000000 ] - [ -0.0008507400000000, -0.0010062100000000, 0.0002519000000000 ] - [ -0.0003086900000000, 0.0000891700000000, -0.0001226700000000 ] - [ -0.0128367200000000, 0.0480634300000000, 0.0260530500000000 ] - [ -0.0012820200000000, -0.0010603800000000, -0.0007699500000000 ] - [ 0.0001358500000000, 0.0001148400000000, -0.0005282700000000 ] - [ 0.0013624700000000, -0.0010411500000000, 0.0004453000000000 ] - [ -0.0015034200000000, -0.0070998700000000, -0.0061444300000000 ] - [ -0.0016329200000000, -0.0069460000000000, 0.0003474100000000 ] - [ -0.0001371000000000, 0.0001065600000000, 0.0003082100000000 ] - [ 0.0000000000000000, 0.0000798400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000127800000000, 0.0000000000000000 ] - [ -0.0003531900000000, -0.0002110200000000, 0.0005124700000000 ] - [ 0.0002446800000000, 0.0001517800000000, -0.0010465500000000 ] - [ -0.0005894500000000, 0.0000283600000000, -0.0003865300000000 ] - [ 0.0001124900000000, -0.0000006700000000, 0.0000560800000000 ] - [ 0.0012230800000000, 0.0006841100000000, -0.0004481400000000 ] - [ 0.0001475200000000, 0.0000407200000000, 0.0003127900000000 ] - [ -0.0001358500000000, 0.0001148400000000, 0.0005282700000000 ] - [ 0.0002941700000000, 0.0002041400000000, 0.0003541500000000 ] - [ 0.0008507400000000, -0.0010062100000000, -0.0002519000000000 ] - [ 0.0001523100000000, 0.0002613500000000, -0.0009158800000000 ] - [ 0.0019513100000000, 0.0020995900000000, -0.0030390100000000 ] - [ 0.0000648200000000, -0.0000765900000000, 0.0005389000000000 ] - [ 0.0001598600000000, -0.0002883400000000, -0.0002252100000000 ] - [ 0.0128367200000000, 0.0480634300000000, -0.0260530500000000 ] - [ -0.0002941700000000, 0.0002041400000000, -0.0003541500000000 ] - [ -0.0001523100000000, 0.0002613500000000, 0.0009158800000000 ] - [ -0.0023217000000000, 0.0037083300000000, 0.0030935400000000 ] - [ -0.0001475200000000, 0.0000407200000000, -0.0003127900000000 ] - [ 0.0023217000000000, 0.0037083300000000, -0.0030935400000000 ] - [ 0.0003086900000000, 0.0000891700000000, 0.0001226700000000 ] - [ 0.0001371000000000, 0.0001065600000000, -0.0003082100000000 ] - [ -0.0013624700000000, -0.0010411500000000, -0.0004453000000000 ] - [ -0.0012230800000000, 0.0006841100000000, 0.0004481400000000 ] - [ 0.0003531900000000, -0.0002110200000000, -0.0005124700000000 ] - [ -0.0001598600000000, -0.0002883400000000, 0.0002252100000000 ] - [ -0.0019513100000000, 0.0020995900000000, 0.0030390100000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002574300000000, -0.0001142400000000, 0.0003313200000000 ] - [ -0.0248210100000000, -0.0154562600000000, -0.0108454100000000 ] - [ -0.0008845300000000, 0.0001374900000000, 0.0002266700000000 ] - [ 0.0002574300000000, -0.0001142400000000, -0.0003313200000000 ] - [ 0.0013935300000000, 0.0014460600000000, -0.0027570000000000 ] - [ 0.0248210100000000, -0.0154562600000000, 0.0108454100000000 ] - [ 0.0014334800000000, 0.0000136400000000, 0.0005208700000000 ] - [ 0.0008845300000000, 0.0001374900000000, -0.0002266700000000 ] - [ -0.0014334800000000, 0.0000136400000000, -0.0005208700000000 ] - [ -0.0003923600000000, -0.0000391000000000, 0.0005077400000000 ] - [ 0.0003923600000000, -0.0000391000000000, -0.0005077400000000 ] - [ -0.0013935300000000, 0.0014460600000000, 0.0027570000000000 ] - [ -0.0013257900000000, -0.0007441200000000, 0.0000992500000000 ] - [ -0.0002603000000000, 0.0001097500000000, -0.0006305500000000 ] - [ -0.0003179100000000, 0.0001520900000000, 0.0003902800000000 ] - [ -0.0001439700000000, 0.0001328200000000, -0.0000582800000000 ] - [ 0.0003179100000000, 0.0001520900000000, -0.0003902800000000 ] - [ -0.0001225700000000, 0.0000191000000000, 0.0001264500000000 ] - [ 0.0001439700000000, 0.0001328200000000, 0.0000582800000000 ] - [ 0.0003165200000000, -0.0004231900000000, 0.0006739500000000 ] - [ 0.0013257900000000, -0.0007441200000000, -0.0000992500000000 ] - [ -0.0003637300000000, -0.0000873900000000, -0.0002463900000000 ] - [ -0.0003165200000000, -0.0004231900000000, -0.0006739500000000 ] - [ 0.0014721200000000, -0.0000582600000000, 0.0014305800000000 ] - [ 0.0001225700000000, 0.0000191000000000, -0.0001264500000000 ] - [ -0.0014721200000000, -0.0000582600000000, -0.0014305800000000 ] - [ 0.0003637300000000, -0.0000873900000000, 0.0002463900000000 ] - [ -0.0000183000000000, 0.0001049500000000, 0.0004364300000000 ] - [ 0.0000183000000000, 0.0001049500000000, -0.0004364300000000 ] - [ 0.0034309200000000, -0.0485495400000000, -0.0078992600000000 ] - [ 0.0002603000000000, 0.0001097500000000, 0.0006305500000000 ] - [ -0.0034309200000000, -0.0485495400000000, 0.0078992600000000 ] - [ -0.0001555200000000, 0.0000089300000000, -0.0001225300000000 ] - [ -0.0022787800000000, 0.0070021300000000, 0.0001022500000000 ] - [ -0.0000112000000000, -0.0004078600000000, -0.0007966400000000 ] - [ 0.0001555200000000, 0.0000089300000000, 0.0001225300000000 ] - [ 0.0000000000000000, 0.2035605700000000, 0.0000000000000000 ] - [ -0.0001680800000000, -0.0001864700000000, 0.0002769000000000 ] - [ -0.0016743100000000, 0.0070722300000000, -0.0067067500000000 ] - [ -0.0012747300000000, 0.0008426400000000, -0.0006558400000000 ] - [ -0.0003444100000000, 0.0002309000000000, -0.0006338500000000 ] - [ 0.0002290600000000, 0.0000032500000000, -0.0000348600000000 ] - [ 0.0000000000000000, -0.0001805200000000, 0.0000000000000000 ] - [ 0.0006540500000000, 0.0009321900000000, 0.0000320200000000 ] - [ 0.0001154400000000, -0.0000098000000000, 0.0003987500000000 ] - [ 0.0130244400000000, -0.0485359500000000, -0.0266201400000000 ] - [ 0.0012747300000000, 0.0008426400000000, 0.0006558400000000 ] - [ -0.0001302800000000, 0.0001364700000000, 0.0003909500000000 ] - [ -0.0013415600000000, 0.0013654600000000, -0.0003922500000000 ] - [ 0.0016743100000000, 0.0070722300000000, 0.0067067500000000 ] - [ 0.0022787800000000, 0.0070021300000000, -0.0001022500000000 ] - [ 0.0005817200000000, -0.0002041700000000, 0.0000960200000000 ] - [ 0.0000000000000000, -0.0003957000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003050700000000, 0.0000000000000000 ] - [ -0.0001020300000000, 0.0001103400000000, -0.0001077600000000 ] - [ 0.0000112000000000, -0.0004078600000000, 0.0007966400000000 ] - [ 0.0003444100000000, 0.0002309000000000, 0.0006338500000000 ] - [ -0.0002290600000000, 0.0000032500000000, 0.0000348600000000 ] - [ -0.0012190500000000, -0.0004635800000000, 0.0003377600000000 ] - [ -0.0002612800000000, -0.0000432700000000, -0.0004002200000000 ] - [ 0.0001302800000000, 0.0001364700000000, -0.0003909500000000 ] - [ -0.0004186100000000, -0.0002038000000000, -0.0004370400000000 ] - [ -0.0006540500000000, 0.0009321900000000, -0.0000320200000000 ] - [ 0.0002776400000000, -0.0001551700000000, 0.0005019300000000 ] - [ -0.0019253200000000, -0.0023137700000000, 0.0028598200000000 ] - [ 0.0001680800000000, -0.0001864700000000, -0.0002769000000000 ] - [ -0.0001540000000000, -0.0000724100000000, 0.0002697100000000 ] - [ -0.0130244400000000, -0.0485359500000000, 0.0266201400000000 ] - [ 0.0004186100000000, -0.0002038000000000, 0.0004370400000000 ] - [ -0.0002776400000000, -0.0001551700000000, -0.0005019300000000 ] - [ 0.0020612000000000, -0.0033968100000000, -0.0032926400000000 ] - [ 0.0002612800000000, -0.0000432700000000, 0.0004002200000000 ] - [ -0.0020612000000000, -0.0033968100000000, 0.0032926400000000 ] - [ -0.0001154400000000, -0.0000098000000000, -0.0003987500000000 ] - [ -0.0005817200000000, -0.0002041700000000, -0.0000960200000000 ] - [ 0.0013415600000000, 0.0013654600000000, 0.0003922500000000 ] - [ 0.0012190500000000, -0.0004635800000000, -0.0003377600000000 ] - [ 0.0001020300000000, 0.0001103400000000, 0.0001077600000000 ] - [ 0.0001540000000000, -0.0000724100000000, -0.0002697100000000 ] - [ 0.0019253200000000, -0.0023137700000000, -0.0028598200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005752000000000, -0.0002240000000000, -0.0026041000000000 ] - [ 0.0011614300000000, 0.0088992100000000, 0.0269635000000000 ] - [ -0.0003322700000000, -0.0000714000000000, 0.0035073200000000 ] - [ -0.0001689200000000, -0.0000414400000000, -0.0025623200000000 ] - [ 0.0074976200000000, -0.0031845700000000, -0.0090432400000000 ] - [ 0.0007856900000000, -0.0086073000000000, 0.0269618900000000 ] - [ 0.0041008500000000, 0.0000178000000000, -0.0011586200000000 ] - [ -0.0007274100000000, 0.0003361700000000, 0.0035498500000000 ] - [ 0.0032426800000000, -0.0000178400000000, -0.0011677900000000 ] - [ -0.0008851900000000, -0.0005933000000000, -0.0076816200000000 ] - [ -0.0012695600000000, 0.0003257200000000, -0.0076345100000000 ] - [ 0.0083174200000000, 0.0031587800000000, -0.0090871500000000 ] - [ -0.0131405500000000, 0.0106020200000000, -0.0072282000000000 ] - [ -0.0001850900000000, -0.0000476900000000, -0.0003362100000000 ] - [ 0.0013182600000000, -0.0003370200000000, -0.0042156500000000 ] - [ 0.0018939000000000, -0.0003220300000000, 0.0017670100000000 ] - [ 0.0013235200000000, 0.0002347200000000, -0.0038534600000000 ] - [ 0.0007588100000000, 0.0004963800000000, -0.0061968800000000 ] - [ 0.0019754000000000, 0.0005443800000000, 0.0014935000000000 ] - [ -0.0047279200000000, -0.0004576600000000, 0.0037302200000000 ] - [ -0.0132316300000000, -0.0105266600000000, -0.0072520700000000 ] - [ 0.0007544800000000, -0.0001593900000000, -0.0014852800000000 ] - [ -0.0047283500000000, 0.0000987200000000, 0.0036007500000000 ] - [ 0.0097461100000000, 0.0078010100000000, 0.0080490700000000 ] - [ 0.0008327700000000, -0.0007113500000000, -0.0064656500000000 ] - [ 0.0097941300000000, -0.0077239400000000, 0.0084141000000000 ] - [ 0.0008438000000000, -0.0000642300000000, -0.0012136900000000 ] - [ -0.0030635200000000, 0.0008396700000000, -0.0030987300000000 ] - [ -0.0030535600000000, -0.0004832500000000, -0.0029745000000000 ] - [ -0.0195067000000000, 0.0150794800000000, 0.0711115300000000 ] - [ -0.0003509100000000, 0.0000465800000000, -0.0003283200000000 ] - [ -0.0228816900000000, -0.0178810100000000, 0.0767616900000000 ] - [ -0.0000677300000000, 0.0000811200000000, 0.0007660500000000 ] - [ -0.0388046600000000, 0.0037269500000000, 0.0085966900000000 ] - [ 0.0053411100000000, 0.0000746100000000, 0.0056543900000000 ] - [ -0.0002659600000000, -0.0001537200000000, 0.0004844300000000 ] - [ 0.1010138400000000, 0.0031528400000000, -0.3527254200000000 ] - [ 0.0006285600000000, -0.0004350300000000, 0.0005889000000000 ] - [ 0.0113126200000000, 0.0014816200000000, 0.0703164400000000 ] - [ -0.0044086900000000, -0.0012752100000000, -0.0001737700000000 ] - [ 0.0013050500000000, -0.0003711200000000, -0.0006819100000000 ] - [ -0.0003942500000000, 0.0000018500000000, 0.0013096500000000 ] - [ -0.0005655700000000, -0.0001535900000000, 0.0016464900000000 ] - [ -0.0002750300000000, -0.0026798700000000, 0.0061556500000000 ] - [ -0.0006069100000000, 0.0001450400000000, -0.0002123600000000 ] - [ -0.0087934900000000, 0.0224477400000000, 0.0029810900000000 ] - [ -0.0044163000000000, 0.0010830600000000, -0.0002661200000000 ] - [ 0.0004588300000000, 0.0005594400000000, 0.0036763200000000 ] - [ 0.0027587600000000, 0.0002853500000000, -0.0018920300000000 ] - [ 0.0113580200000000, -0.0012955100000000, 0.0688372800000000 ] - [ -0.0385654700000000, -0.0037310800000000, 0.0088902200000000 ] - [ -0.0007692300000000, 0.0001267400000000, 0.0016975000000000 ] - [ 0.0009065200000000, -0.0001536300000000, 0.0058132200000000 ] - [ -0.0013095500000000, 0.0001550100000000, -0.0024373100000000 ] - [ -0.0011566400000000, -0.0004447200000000, 0.0032141900000000 ] - [ 0.0055456200000000, -0.0003798700000000, 0.0053971900000000 ] - [ 0.0010656900000000, 0.0006615500000000, -0.0004256000000000 ] - [ -0.0005068500000000, 0.0000157600000000, 0.0013949500000000 ] - [ -0.0026798200000000, -0.0013527200000000, 0.0029741200000000 ] - [ -0.0007396800000000, -0.0002929000000000, -0.0014852000000000 ] - [ 0.0004653700000000, -0.0003389400000000, 0.0038205600000000 ] - [ -0.0003632800000000, -0.0001891600000000, 0.0056978900000000 ] - [ -0.0000664000000000, 0.0025886200000000, 0.0058681700000000 ] - [ -0.0042332000000000, 0.0003061300000000, -0.0021668800000000 ] - [ 0.0021196200000000, 0.0033443200000000, -0.0076048400000000 ] - [ 0.0008781000000000, 0.0001427500000000, 0.0008339200000000 ] - [ 0.0010303600000000, 0.0004925900000000, 0.0015001400000000 ] - [ -0.0087410800000000, -0.0224745500000000, 0.0027457100000000 ] - [ -0.0002605400000000, 0.0002107300000000, 0.0057991400000000 ] - [ -0.0046868200000000, -0.0002426600000000, -0.0017662900000000 ] - [ 0.0052480900000000, -0.0019308100000000, -0.0014174400000000 ] - [ -0.0006279000000000, 0.0002725100000000, -0.0013941900000000 ] - [ 0.0054637600000000, 0.0021586300000000, -0.0011058500000000 ] - [ -0.0004110800000000, -0.0000748000000000, -0.0005001500000000 ] - [ -0.0012222100000000, -0.0001874300000000, 0.0012906500000000 ] - [ 0.0027650300000000, 0.0000969200000000, -0.0019184000000000 ] - [ -0.0026839900000000, 0.0015620500000000, 0.0030926100000000 ] - [ -0.0007088300000000, 0.0003838900000000, 0.0028093300000000 ] - [ 0.0010378800000000, -0.0008687300000000, 0.0014672100000000 ] - [ 0.0021099300000000, -0.0035582600000000, -0.0074687700000000 ]- atom: 40 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0057168400000000, 0.0000620600000000, 0.0018187000000000 ] - [ -0.0087203900000000, 0.0009202000000000, 0.0017667700000000 ] - [ 0.0048813800000000, 0.0009505400000000, -0.0095948200000000 ] - [ 0.0037911000000000, -0.0003350700000000, 0.0033495700000000 ] - [ 0.0351924400000000, -0.0143105400000000, 0.0019391200000000 ] - [ 0.0046026300000000, -0.0007065000000000, 0.0095020200000000 ] - [ 0.0348894600000000, 0.0132269100000000, -0.0010218900000000 ] - [ -0.0091372500000000, -0.0006535400000000, -0.0016811000000000 ] - [ -0.0030543800000000, -0.0000096400000000, -0.0006137900000000 ] - [ -0.0053234800000000, -0.0003140900000000, -0.0018961100000000 ] - [ 0.0033978900000000, 0.0000817700000000, -0.0033339700000000 ] - [ -0.0021643600000000, 0.0000114800000000, 0.0005957700000000 ] - [ -0.0065549700000000, 0.0007194200000000, -0.0016416900000000 ] - [ 0.0013552400000000, -0.0002100900000000, -0.0005748900000000 ] - [ -0.0021137600000000, -0.0000484600000000, -0.0001819900000000 ] - [ -0.0022366800000000, 0.0001416200000000, -0.0029311000000000 ] - [ 0.0097583200000000, -0.0000524400000000, 0.0001827800000000 ] - [ -0.0003333900000000, 0.0017960900000000, -0.0027989100000000 ] - [ -0.0059032400000000, 0.0047335900000000, -0.0040901800000000 ] - [ -0.0059387000000000, -0.0001796100000000, 0.0000669900000000 ] - [ 0.0012253500000000, 0.0002270000000000, 0.0005306700000000 ] - [ -0.0015682500000000, -0.0001197100000000, 0.0013809100000000 ] - [ 0.0016136900000000, -0.0001399400000000, -0.0001300700000000 ] - [ 0.0579449300000000, -0.0001416200000000, -0.0000007200000000 ] - [ -0.0014773300000000, -0.0000947700000000, -0.0016755000000000 ] - [ -0.0030922200000000, 0.0000447300000000, 0.0001764100000000 ] - [ -0.0002453700000000, -0.0019924500000000, 0.0030451900000000 ] - [ -0.0049496100000000, 0.0001767700000000, -0.0000608400000000 ] - [ 0.0023036800000000, 0.0001777700000000, 0.0000464200000000 ] - [ -0.0021278800000000, 0.0000703800000000, 0.0031979600000000 ] - [ -0.0066922400000000, -0.0007310900000000, 0.0016596500000000 ] - [ -0.0058345600000000, -0.0045945200000000, 0.0038552800000000 ] - [ 0.0035560700000000, -0.0013193700000000, -0.0020403100000000 ] - [ 0.0024003900000000, -0.0003280100000000, -0.0008913500000000 ] - [ 0.0039604200000000, 0.0000302500000000, 0.0019162300000000 ] - [ -0.0002260100000000, 0.0000809400000000, -0.0004818200000000 ] - [ 0.0025692400000000, 0.0014436100000000, -0.0044148000000000 ] - [ -0.0015936000000000, 0.0002363100000000, 0.0001581900000000 ] - [ 0.0058653800000000, -0.0018647500000000, -0.0013364300000000 ] - [ -0.1415196200000000, 0.0012866300000000, -0.0011023500000000 ] - [ 0.0051585000000000, 0.0001287600000000, 0.0008938200000000 ] - [ 0.0007940400000000, -0.0000389000000000, -0.0010816100000000 ] - [ 0.0012480500000000, 0.0010616100000000, -0.0026686400000000 ] - [ 0.0033854300000000, 0.0012589000000000, 0.0023268600000000 ] - [ -0.0002231100000000, 0.0000665900000000, 0.0014601400000000 ] - [ 0.0012057200000000, -0.0000790700000000, -0.0020086700000000 ] - [ 0.0020602600000000, -0.0001098300000000, -0.0000526600000000 ] - [ -0.0030225600000000, 0.0001125700000000, -0.0000584300000000 ] - [ 0.0051766600000000, 0.0001904100000000, 0.0000067600000000 ] - [ -0.0000470000000000, 0.0000087700000000, -0.0011691200000000 ] - [ 0.0026009200000000, 0.0183909700000000, -0.0154916600000000 ] - [ 0.0019989600000000, -0.0003353700000000, -0.0000825400000000 ] - [ 0.0012531100000000, -0.0013821300000000, 0.0026962700000000 ] - [ 0.0026183600000000, -0.0011124700000000, 0.0044152500000000 ] - [ 0.0015505000000000, 0.0002882100000000, 0.0005003600000000 ] - [ -0.0013374700000000, -0.0005402800000000, -0.0003810300000000 ] - [ -0.0024382800000000, -0.0008022600000000, -0.0000537100000000 ] - [ 0.0021721400000000, 0.0027401200000000, -0.0085142300000000 ] - [ -0.0147388100000000, 0.0000386700000000, -0.0000452000000000 ] - [ 0.0146392800000000, -0.0002052400000000, 0.0079401100000000 ] - [ 0.0023672400000000, 0.0001098200000000, 0.0000750600000000 ] - [ 0.0006874500000000, 0.0000643800000000, 0.0010126300000000 ] - [ -0.0000419400000000, -0.0001554400000000, 0.0002284000000000 ] - [ 0.0028586700000000, 0.0003744900000000, 0.0004827700000000 ] - [ 0.0032404700000000, -0.0001095800000000, -0.0000775900000000 ] - [ 0.0041991600000000, -0.0003290600000000, -0.0016681100000000 ] - [ -0.0028946800000000, -0.0001848500000000, 0.0000167500000000 ] - [ 0.0149809200000000, 0.0001953800000000, -0.0082087100000000 ] - [ 0.0023180800000000, -0.0027416100000000, 0.0086885400000000 ] - [ 0.0023719100000000, -0.0183049700000000, 0.0158237100000000 ] - [ 0.0049170800000000, 0.0001630100000000, -0.0011596100000000 ] - [ 0.0013286900000000, 0.0000548800000000, 0.0020890800000000 ] - [ -0.0022372400000000, 0.0010856100000000, 0.0003777500000000 ] - [ 0.0060658800000000, 0.0019274900000000, 0.0010049200000000 ] - [ -0.0036887300000000, -0.0024268200000000, -0.0066150800000000 ] - [ -0.0045679600000000, 0.0001699200000000, 0.0000033300000000 ] - [ 0.0017985500000000, 0.0001146200000000, 0.0000613900000000 ] - [ -0.0032581300000000, 0.0023781500000000, 0.0062329900000000 ] - [ 0.0035670700000000, -0.0001881800000000, -0.0000101100000000 ] - [ -0.0108506500000000, -0.0001491400000000, 0.0003158100000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015854800000000, 0.0000392900000000, 0.0007824800000000 ] - [ -0.0008612200000000, -0.0002591300000000, -0.0015947800000000 ] - [ 0.0024636900000000, -0.0014528900000000, 0.0011364200000000 ] - [ 0.0005266400000000, 0.0001213700000000, 0.0027283200000000 ] - [ -0.0151003800000000, 0.0128598100000000, -0.0145280000000000 ] - [ -0.0024636900000000, -0.0014528900000000, 0.0011364200000000 ] - [ 0.0151003800000000, 0.0128598100000000, -0.0145280000000000 ] - [ 0.0008612200000000, -0.0002591300000000, -0.0015947800000000 ] - [ -0.0000406900000000, 0.0000292000000000, 0.0016062900000000 ] - [ 0.0015854800000000, 0.0000392900000000, 0.0007824800000000 ] - [ -0.0005266400000000, 0.0001213700000000, 0.0027283200000000 ] - [ 0.0000406900000000, 0.0000292000000000, 0.0016062900000000 ] - [ 0.0010321600000000, 0.0006191500000000, -0.0019028300000000 ] - [ 0.0009108600000000, -0.0006126500000000, 0.0024660800000000 ] - [ 0.0000000000000000, 0.0001142400000000, 0.0006886000000000 ] - [ 0.0006889400000000, 0.0003814400000000, 0.0012028000000000 ] - [ 0.0000000000000000, -0.0011398100000000, 0.0011165700000000 ] - [ 0.0004135000000000, -0.0017393500000000, 0.0003974400000000 ] - [ 0.0097716400000000, 0.0052571900000000, -0.0015212400000000 ] - [ 0.0000000000000000, 0.0001288900000000, -0.0008214100000000 ] - [ -0.0009108600000000, -0.0006126500000000, 0.0024660800000000 ] - [ -0.0001633200000000, -0.0002336700000000, 0.0013218500000000 ] - [ 0.0000000000000000, -0.0022400900000000, 0.0035147400000000 ] - [ 0.0000000000000000, 0.1024603200000000, -0.0647584900000000 ] - [ 0.0001633200000000, -0.0002336700000000, 0.0013218500000000 ] - [ 0.0000000000000000, 0.0005977800000000, 0.0000983400000000 ] - [ -0.0004135000000000, -0.0017393500000000, 0.0003974400000000 ] - [ 0.0000000000000000, 0.0002536800000000, 0.0001491300000000 ] - [ 0.0000000000000000, 0.0002042000000000, 0.0019264100000000 ] - [ -0.0006889400000000, 0.0003814400000000, 0.0012028000000000 ] - [ -0.0010321600000000, 0.0006191500000000, -0.0019028300000000 ] - [ -0.0097716400000000, 0.0052571900000000, -0.0015212400000000 ] - [ 0.0016760600000000, -0.0015851800000000, 0.0005330000000000 ] - [ 0.0005231200000000, 0.0001063700000000, -0.0005333300000000 ] - [ -0.0004634000000000, -0.0002772200000000, 0.0005497600000000 ] - [ -0.0005572700000000, -0.0001159600000000, -0.0015026100000000 ] - [ 0.0034623100000000, -0.0007909500000000, -0.0011925000000000 ] - [ 0.0001942900000000, 0.0003270800000000, -0.0018073400000000 ] - [ 0.0006993100000000, 0.0022158100000000, 0.0038421000000000 ] - [ 0.0000000000000000, -0.2164650400000000, 0.1406375800000000 ] - [ 0.0006238100000000, 0.0005006200000000, 0.0009448500000000 ] - [ 0.0002715600000000, 0.0000586000000000, -0.0011564200000000 ] - [ 0.0006044200000000, 0.0004106000000000, -0.0014556100000000 ] - [ -0.0016760600000000, -0.0015851800000000, 0.0005330000000000 ] - [ -0.0006552300000000, -0.0000415100000000, -0.0008743000000000 ] - [ 0.0008586700000000, -0.0000819000000000, -0.0002672700000000 ] - [ 0.0000000000000000, -0.0003303900000000, -0.0004270000000000 ] - [ 0.0000000000000000, -0.0001059900000000, -0.0019677900000000 ] - [ 0.0000000000000000, -0.0001425000000000, 0.0005335700000000 ] - [ 0.0006552300000000, -0.0000415100000000, -0.0008743000000000 ] - [ 0.0249787300000000, 0.0373921100000000, -0.0156209400000000 ] - [ 0.0003227800000000, 0.0000372500000000, -0.0004323600000000 ] - [ -0.0006044200000000, 0.0004106000000000, -0.0014556100000000 ] - [ -0.0034623100000000, -0.0007909500000000, -0.0011925000000000 ] - [ -0.0003227800000000, 0.0000372500000000, -0.0004323600000000 ] - [ -0.0001942900000000, 0.0003270800000000, -0.0018073400000000 ] - [ -0.0015585800000000, 0.0010575700000000, -0.0025494200000000 ] - [ 0.0013258100000000, 0.0022960400000000, -0.0042134800000000 ] - [ 0.0000000000000000, 0.0158892600000000, -0.0034096100000000 ] - [ 0.0002293800000000, -0.0023839500000000, 0.0027428400000000 ] - [ 0.0000000000000000, 0.0003144900000000, -0.0004830000000000 ] - [ -0.0002715600000000, 0.0000586000000000, -0.0011564200000000 ] - [ 0.0005572700000000, -0.0001159600000000, -0.0015026100000000 ] - [ -0.0005231200000000, 0.0001063700000000, -0.0005333300000000 ] - [ 0.0000000000000000, -0.0000951800000000, 0.0004353600000000 ] - [ 0.0004634000000000, -0.0002772200000000, 0.0005497600000000 ] - [ 0.0000000000000000, -0.0005889300000000, -0.0008984000000000 ] - [ -0.0002293800000000, -0.0023839500000000, 0.0027428400000000 ] - [ -0.0013258100000000, 0.0022960400000000, -0.0042134800000000 ] - [ -0.0249787300000000, 0.0373921100000000, -0.0156209400000000 ] - [ -0.0006238100000000, 0.0005006200000000, 0.0009448500000000 ] - [ -0.0008586700000000, -0.0000819000000000, -0.0002672700000000 ] - [ 0.0015585800000000, 0.0010575700000000, -0.0025494200000000 ] - [ -0.0006993100000000, 0.0022158100000000, 0.0038421000000000 ] - [ 0.0002406600000000, -0.0003416200000000, -0.0002857300000000 ] - [ 0.0000000000000000, 0.0000895800000000, -0.0012662400000000 ] - [ 0.0000000000000000, -0.0002704500000000, -0.0006853900000000 ] - [ -0.0002406600000000, -0.0003416200000000, -0.0002857300000000 ] - [ 0.0000000000000000, -0.0003880800000000, 0.0000774600000000 ] - [ 0.0000000000000000, -0.0058730300000000, -0.0120925200000000 ]- atom: 40 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011647500000000, -0.0002885000000000, -0.0008548200000000 ] - [ 0.0012776300000000, 0.0005024500000000, 0.0016612700000000 ] - [ -0.0020696700000000, 0.0016719900000000, -0.0011932500000000 ] - [ -0.0001153900000000, -0.0003801100000000, -0.0026576500000000 ] - [ 0.0149498900000000, -0.0131493600000000, 0.0149050200000000 ] - [ 0.0020696700000000, 0.0016719900000000, -0.0011932500000000 ] - [ -0.0149498900000000, -0.0131493600000000, 0.0149050200000000 ] - [ -0.0012776300000000, 0.0005024500000000, 0.0016612700000000 ] - [ -0.0008393900000000, -0.0000283700000000, -0.0016010100000000 ] - [ -0.0011647500000000, -0.0002885000000000, -0.0008548200000000 ] - [ 0.0001153900000000, -0.0003801100000000, -0.0026576500000000 ] - [ 0.0008393900000000, -0.0000283700000000, -0.0016010100000000 ] - [ -0.0008751500000000, -0.0006157300000000, 0.0019014200000000 ] - [ -0.0007554300000000, 0.0006156400000000, -0.0024623900000000 ] - [ 0.0000000000000000, -0.0002225100000000, -0.0010434400000000 ] - [ -0.0007884100000000, -0.0001483200000000, -0.0009234600000000 ] - [ 0.0000000000000000, 0.0011114600000000, -0.0007496900000000 ] - [ -0.0004789700000000, 0.0015203800000000, -0.0001364500000000 ] - [ -0.0096342500000000, -0.0049547200000000, 0.0012274700000000 ] - [ 0.0000000000000000, -0.0004955100000000, 0.0009402200000000 ] - [ 0.0007554300000000, 0.0006156400000000, -0.0024623900000000 ] - [ 0.0000636300000000, 0.0000050200000000, -0.0015877500000000 ] - [ 0.0000000000000000, 0.0019090900000000, -0.0036759300000000 ] - [ 0.0000000000000000, -0.0975913100000000, 0.0584966700000000 ] - [ -0.0000636300000000, 0.0000050200000000, -0.0015877500000000 ] - [ 0.0000000000000000, -0.0004869900000000, 0.0002532900000000 ] - [ 0.0004789700000000, 0.0015203800000000, -0.0001364500000000 ] - [ 0.0000000000000000, 0.0001102600000000, -0.0002677000000000 ] - [ 0.0000000000000000, 0.0001662600000000, -0.0018046100000000 ] - [ 0.0007884100000000, -0.0001483200000000, -0.0009234600000000 ] - [ 0.0008751500000000, -0.0006157300000000, 0.0019014200000000 ] - [ 0.0096342500000000, -0.0049547200000000, 0.0012274700000000 ] - [ -0.0014864300000000, 0.0015102300000000, -0.0002496100000000 ] - [ -0.0009453800000000, -0.0000309900000000, 0.0001188300000000 ] - [ 0.0002262200000000, 0.0000070000000000, -0.0002905600000000 ] - [ 0.0003658500000000, 0.0000257600000000, 0.0012283100000000 ] - [ -0.0034301200000000, 0.0011168300000000, 0.0011668900000000 ] - [ -0.0004410000000000, -0.0005970600000000, 0.0015485500000000 ] - [ -0.0008826000000000, -0.0021376500000000, -0.0041051800000000 ] - [ 0.0000000000000000, 0.2115344500000000, -0.1349676000000000 ] - [ -0.0003791100000000, -0.0002347700000000, -0.0011993800000000 ] - [ -0.0001608300000000, -0.0000374200000000, 0.0010686700000000 ] - [ -0.0005946400000000, -0.0007424800000000, 0.0014543400000000 ] - [ 0.0014864300000000, 0.0015102300000000, -0.0002496100000000 ] - [ 0.0004673300000000, 0.0001281200000000, 0.0011412200000000 ] - [ -0.0009653500000000, 0.0000583300000000, 0.0003524600000000 ] - [ 0.0000000000000000, 0.0001077800000000, 0.0003253000000000 ] - [ 0.0000000000000000, 0.0003398900000000, 0.0018324500000000 ] - [ 0.0000000000000000, 0.0005260500000000, -0.0005067300000000 ] - [ -0.0004673300000000, 0.0001281200000000, 0.0011412200000000 ] - [ -0.0240496800000000, -0.0369552900000000, 0.0156750600000000 ] - [ 0.0001059200000000, -0.0001126200000000, 0.0008407900000000 ] - [ 0.0005946400000000, -0.0007424800000000, 0.0014543400000000 ] - [ 0.0034301200000000, 0.0011168300000000, 0.0011668900000000 ] - [ -0.0001059200000000, -0.0001126200000000, 0.0008407900000000 ] - [ 0.0004410000000000, -0.0005970600000000, 0.0015485500000000 ] - [ 0.0013263400000000, -0.0007857800000000, 0.0028178800000000 ] - [ -0.0014294800000000, -0.0022930000000000, 0.0043074500000000 ] - [ 0.0000000000000000, -0.0157630900000000, 0.0035216800000000 ] - [ -0.0002899500000000, 0.0023611000000000, -0.0028113100000000 ] - [ 0.0000000000000000, -0.0000717700000000, 0.0006289000000000 ] - [ 0.0001608300000000, -0.0000374200000000, 0.0010686700000000 ] - [ -0.0003658500000000, 0.0000257600000000, 0.0012283100000000 ] - [ 0.0009453800000000, -0.0000309900000000, 0.0001188300000000 ] - [ 0.0000000000000000, -0.0001496100000000, -0.0005838100000000 ] - [ -0.0002262200000000, 0.0000070000000000, -0.0002905600000000 ] - [ 0.0000000000000000, 0.0002062100000000, 0.0009179200000000 ] - [ 0.0002899500000000, 0.0023611000000000, -0.0028113100000000 ] - [ 0.0014294800000000, -0.0022930000000000, 0.0043074500000000 ] - [ 0.0240496800000000, -0.0369552900000000, 0.0156750600000000 ] - [ 0.0003791100000000, -0.0002347700000000, -0.0011993800000000 ] - [ 0.0009653500000000, 0.0000583300000000, 0.0003524600000000 ] - [ -0.0013263400000000, -0.0007857800000000, 0.0028178800000000 ] - [ 0.0008826000000000, -0.0021376500000000, -0.0041051800000000 ] - [ -0.0006333200000000, 0.0002446800000000, -0.0001889500000000 ] - [ 0.0000000000000000, 0.0002644600000000, 0.0012338900000000 ] - [ 0.0000000000000000, 0.0004902900000000, 0.0007851200000000 ] - [ 0.0006333200000000, 0.0002446800000000, -0.0001889500000000 ] - [ 0.0000000000000000, 0.0000028800000000, -0.0001054400000000 ] - [ 0.0000000000000000, 0.0054609700000000, 0.0124617600000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0021430100000000, -0.0000925400000000, -0.0011227500000000 ] - [ 0.0025680700000000, -0.0002312300000000, 0.0025683500000000 ] - [ -0.0102635500000000, -0.0026047200000000, -0.0045831100000000 ] - [ 0.0012699400000000, 0.0006055400000000, -0.0062991000000000 ] - [ 0.0064307300000000, -0.0090060800000000, 0.0264906800000000 ] - [ 0.0102635500000000, -0.0026047200000000, -0.0045831100000000 ] - [ -0.0064307300000000, -0.0090060800000000, 0.0264906800000000 ] - [ -0.0025680700000000, -0.0002312300000000, 0.0025683500000000 ] - [ -0.0012582200000000, -0.0000827700000000, -0.0030983700000000 ] - [ -0.0021430100000000, -0.0000925400000000, -0.0011227500000000 ] - [ -0.0012699400000000, 0.0006055400000000, -0.0062991000000000 ] - [ 0.0012582200000000, -0.0000827700000000, -0.0030983700000000 ] - [ -0.0018056600000000, -0.0007139400000000, 0.0033842800000000 ] - [ -0.0019562500000000, 0.0020176400000000, -0.0056007800000000 ] - [ 0.0000000000000000, -0.0004358700000000, -0.0016918700000000 ] - [ -0.0014880600000000, 0.0002182400000000, -0.0009030900000000 ] - [ 0.0000000000000000, -0.0025505700000000, -0.0089043600000000 ] - [ -0.0060959000000000, -0.0002693400000000, -0.0007695100000000 ] - [ -0.0088368900000000, 0.0001600900000000, 0.0037189200000000 ] - [ 0.0000000000000000, -0.0007213500000000, 0.0014349400000000 ] - [ 0.0019562500000000, 0.0020176400000000, -0.0056007800000000 ] - [ 0.0002601100000000, -0.0000139700000000, -0.0032130900000000 ] - [ 0.0000000000000000, 0.0075941000000000, -0.0137100100000000 ] - [ 0.0000000000000000, -0.0621061400000000, 0.1039944900000000 ] - [ -0.0002601100000000, -0.0000139700000000, -0.0032130900000000 ] - [ 0.0000000000000000, -0.0007531300000000, 0.0000701300000000 ] - [ 0.0060959000000000, -0.0002693400000000, -0.0007695100000000 ] - [ 0.0000000000000000, -0.0000069600000000, -0.0002335800000000 ] - [ 0.0000000000000000, -0.0000477900000000, -0.0048613300000000 ] - [ 0.0014880600000000, 0.0002182400000000, -0.0009030900000000 ] - [ 0.0018056600000000, -0.0007139400000000, 0.0033842800000000 ] - [ 0.0088368900000000, 0.0001600900000000, 0.0037189200000000 ] - [ -0.0033262400000000, 0.0012360800000000, -0.0011713400000000 ] - [ -0.0012158700000000, -0.0001610800000000, 0.0002007900000000 ] - [ 0.0004328400000000, -0.0000246400000000, -0.0006830200000000 ] - [ 0.0009242900000000, 0.0001013300000000, 0.0028769200000000 ] - [ -0.0029988000000000, 0.0008763400000000, -0.0002092200000000 ] - [ -0.0010364200000000, -0.0013244700000000, 0.0039144400000000 ] - [ 0.0001611300000000, -0.0028715500000000, -0.0061057700000000 ] - [ 0.0000000000000000, 0.1348130300000000, -0.2135441200000000 ] - [ -0.0005656700000000, -0.0006250200000000, -0.0022219600000000 ] - [ -0.0004775100000000, -0.0000758800000000, 0.0019165600000000 ] - [ -0.0024788300000000, -0.0005576000000000, 0.0030302100000000 ] - [ 0.0033262400000000, 0.0012360800000000, -0.0011713400000000 ] - [ 0.0013194900000000, 0.0001341900000000, 0.0020058200000000 ] - [ -0.0018629500000000, -0.0001468400000000, 0.0007125800000000 ] - [ 0.0000000000000000, 0.0002549400000000, 0.0006955000000000 ] - [ 0.0000000000000000, 0.0009831700000000, 0.0051813500000000 ] - [ 0.0000000000000000, 0.0009432100000000, -0.0010701200000000 ] - [ -0.0013194900000000, 0.0001341900000000, 0.0020058200000000 ] - [ -0.0170452300000000, -0.0169206600000000, -0.0024479500000000 ] - [ -0.0001230900000000, -0.0001540900000000, 0.0014864500000000 ] - [ 0.0024788300000000, -0.0005576000000000, 0.0030302100000000 ] - [ 0.0029988000000000, 0.0008763400000000, -0.0002092200000000 ] - [ 0.0001230900000000, -0.0001540900000000, 0.0014864500000000 ] - [ 0.0010364200000000, -0.0013244700000000, 0.0039144400000000 ] - [ 0.0049526700000000, -0.0014319300000000, 0.0074303900000000 ] - [ -0.0025987500000000, 0.0000070000000000, 0.0032745100000000 ] - [ 0.0000000000000000, -0.0033795600000000, 0.0064216200000000 ] - [ 0.0074985700000000, 0.0007242700000000, -0.0040220600000000 ] - [ 0.0000000000000000, -0.0002533400000000, 0.0009963000000000 ] - [ 0.0004775100000000, -0.0000758800000000, 0.0019165600000000 ] - [ -0.0009242900000000, 0.0001013300000000, 0.0028769200000000 ] - [ 0.0012158700000000, -0.0001610800000000, 0.0002007900000000 ] - [ 0.0000000000000000, -0.0001918300000000, -0.0008278200000000 ] - [ -0.0004328400000000, -0.0000246400000000, -0.0006830200000000 ] - [ 0.0000000000000000, 0.0003269900000000, 0.0027779400000000 ] - [ -0.0074985700000000, 0.0007242700000000, -0.0040220600000000 ] - [ 0.0025987500000000, 0.0000070000000000, 0.0032745100000000 ] - [ 0.0170452300000000, -0.0169206600000000, -0.0024479500000000 ] - [ 0.0005656700000000, -0.0006250200000000, -0.0022219600000000 ] - [ 0.0018629500000000, -0.0001468400000000, 0.0007125800000000 ] - [ -0.0049526700000000, -0.0014319300000000, 0.0074303900000000 ] - [ -0.0001611300000000, -0.0028715500000000, -0.0061057700000000 ] - [ -0.0062713900000000, 0.0011487000000000, 0.0078987500000000 ] - [ 0.0000000000000000, -0.0022174200000000, 0.0023710700000000 ] - [ 0.0000000000000000, 0.0008621400000000, 0.0014352900000000 ] - [ 0.0062713900000000, 0.0011487000000000, 0.0078987500000000 ] - [ 0.0000000000000000, 0.0001553800000000, -0.0002295000000000 ] - [ 0.0000000000000000, -0.0131111500000000, 0.0627769900000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0025436000000000, -0.0001705400000000, 0.0010910700000000 ] - [ -0.0021627500000000, 0.0004969400000000, -0.0025360800000000 ] - [ 0.0107299300000000, 0.0029201900000000, 0.0044930000000000 ] - [ -0.0008648200000000, -0.0008652300000000, 0.0063473100000000 ] - [ -0.0069302100000000, 0.0087506200000000, -0.0263576800000000 ] - [ -0.0107299300000000, 0.0029201900000000, 0.0044930000000000 ] - [ 0.0069302100000000, 0.0087506200000000, -0.0263576800000000 ] - [ 0.0021627500000000, 0.0004969400000000, -0.0025360800000000 ] - [ 0.0004037200000000, 0.0000840500000000, 0.0030984500000000 ] - [ 0.0025436000000000, -0.0001705400000000, 0.0010910700000000 ] - [ 0.0008648200000000, -0.0008652300000000, 0.0063473100000000 ] - [ -0.0004037200000000, 0.0000840500000000, 0.0030984500000000 ] - [ 0.0019751900000000, 0.0007117800000000, -0.0033831800000000 ] - [ 0.0021402800000000, -0.0020330600000000, 0.0056141400000000 ] - [ 0.0000000000000000, 0.0003251300000000, 0.0013327100000000 ] - [ 0.0013974900000000, 0.0000102400000000, 0.0011583400000000 ] - [ 0.0000000000000000, 0.0024098500000000, 0.0092759700000000 ] - [ 0.0059754500000000, 0.0000142800000000, 0.0010525900000000 ] - [ 0.0088852400000000, 0.0000868900000000, -0.0040012500000000 ] - [ 0.0000000000000000, 0.0003538500000000, -0.0013152800000000 ] - [ -0.0021402800000000, -0.0020330600000000, 0.0056141400000000 ] - [ -0.0003505600000000, -0.0002203800000000, 0.0029481200000000 ] - [ 0.0000000000000000, -0.0080438500000000, 0.0136058800000000 ] - [ 0.0000000000000000, 0.0680369300000000, -0.1085907800000000 ] - [ 0.0003505600000000, -0.0002203800000000, 0.0029481200000000 ] - [ 0.0000000000000000, 0.0008608800000000, 0.0002840600000000 ] - [ -0.0059754500000000, 0.0000142800000000, 0.0010525900000000 ] - [ 0.0000000000000000, 0.0003693100000000, 0.0001184200000000 ] - [ 0.0000000000000000, 0.0004112300000000, 0.0049925300000000 ] - [ -0.0013974900000000, 0.0000102400000000, 0.0011583400000000 ] - [ -0.0019751900000000, 0.0007117800000000, -0.0033831800000000 ] - [ -0.0088852400000000, 0.0000868900000000, -0.0040012500000000 ] - [ 0.0035245500000000, -0.0013158600000000, 0.0014468400000000 ] - [ 0.0007752000000000, 0.0002488200000000, -0.0006053000000000 ] - [ -0.0006714300000000, -0.0002557300000000, 0.0009383800000000 ] - [ -0.0011348100000000, -0.0001764100000000, -0.0031677200000000 ] - [ 0.0029886500000000, -0.0005562200000000, 0.0002323800000000 ] - [ 0.0007927000000000, 0.0010483400000000, -0.0041813200000000 ] - [ -0.0003485300000000, 0.0029294400000000, 0.0058115000000000 ] - [ 0.0000000000000000, -0.1407636000000000, 0.2186519800000000 ] - [ 0.0008063100000000, 0.0009015800000000, 0.0019634000000000 ] - [ 0.0005882000000000, 0.0000944700000000, -0.0020100000000000 ] - [ 0.0024668200000000, 0.0002374000000000, -0.0030335800000000 ] - [ -0.0035245500000000, -0.0013158600000000, 0.0014468400000000 ] - [ -0.0015294000000000, -0.0000564800000000, -0.0017223000000000 ] - [ 0.0017571000000000, 0.0001289700000000, -0.0006157400000000 ] - [ 0.0000000000000000, -0.0004827600000000, -0.0008016600000000 ] - [ 0.0000000000000000, -0.0007383300000000, -0.0053321200000000 ] - [ 0.0000000000000000, -0.0005754000000000, 0.0010966300000000 ] - [ 0.0015294000000000, -0.0000564800000000, -0.0017223000000000 ] - [ 0.0174925100000000, 0.0170767000000000, 0.0030270300000000 ] - [ 0.0005615000000000, 0.0000686900000000, -0.0010817000000000 ] - [ -0.0024668200000000, 0.0002374000000000, -0.0030335800000000 ] - [ -0.0029886500000000, -0.0005562200000000, 0.0002323800000000 ] - [ -0.0005615000000000, 0.0000686900000000, -0.0010817000000000 ] - [ -0.0007927000000000, 0.0010483400000000, -0.0041813200000000 ] - [ -0.0052435800000000, 0.0017169700000000, -0.0072150400000000 ] - [ 0.0024965600000000, 0.0000418900000000, -0.0032370500000000 ] - [ 0.0000000000000000, 0.0035332800000000, -0.0064786500000000 ] - [ -0.0076066000000000, -0.0007283200000000, 0.0039677100000000 ] - [ 0.0000000000000000, 0.0004959300000000, -0.0008605300000000 ] - [ -0.0005882000000000, 0.0000944700000000, -0.0020100000000000 ] - [ 0.0011348100000000, -0.0001764100000000, -0.0031677200000000 ] - [ -0.0007752000000000, 0.0002488200000000, -0.0006053000000000 ] - [ 0.0000000000000000, -0.0000521900000000, 0.0006894700000000 ] - [ 0.0006714300000000, -0.0002557300000000, 0.0009383800000000 ] - [ 0.0000000000000000, -0.0006946600000000, -0.0027559600000000 ] - [ 0.0076066000000000, -0.0007283200000000, 0.0039677100000000 ] - [ -0.0024965600000000, 0.0000418900000000, -0.0032370500000000 ] - [ -0.0174925100000000, 0.0170767000000000, 0.0030270300000000 ] - [ -0.0008063100000000, 0.0009015800000000, 0.0019634000000000 ] - [ -0.0017571000000000, 0.0001289700000000, -0.0006157400000000 ] - [ 0.0052435800000000, 0.0017169700000000, -0.0072150400000000 ] - [ 0.0003485300000000, 0.0029294400000000, 0.0058115000000000 ] - [ 0.0057521100000000, -0.0012152100000000, -0.0082068500000000 ] - [ 0.0000000000000000, 0.0026034000000000, -0.0023863900000000 ] - [ 0.0000000000000000, -0.0006328500000000, -0.0013261800000000 ] - [ -0.0057521100000000, -0.0012152100000000, -0.0082068500000000 ] - [ 0.0000000000000000, -0.0005217000000000, 0.0001996400000000 ] - [ 0.0000000000000000, 0.0131559300000000, -0.0640706300000000 ]- atom: 42 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0171475800000000, -0.0007031000000000, -0.0005748600000000 ] - [ -0.0011204400000000, 0.0001276300000000, 0.0005847600000000 ] - [ 0.0019635800000000, -0.0000225100000000, -0.0021826500000000 ] - [ 0.0151872200000000, 0.0006511500000000, -0.0046403300000000 ] - [ -0.0031381700000000, -0.0000966000000000, 0.0009307600000000 ] - [ -0.0029709800000000, 0.0001835200000000, -0.0006762900000000 ] - [ 0.0011739900000000, -0.0006824500000000, 0.0033119400000000 ] - [ 0.0019466000000000, -0.0000050500000000, 0.0006889500000000 ] - [ 0.0188667800000000, -0.0015818900000000, 0.0003161600000000 ] - [ -0.0058533000000000, 0.0004898900000000, -0.0016583700000000 ] - [ -0.0084972700000000, 0.0002033800000000, 0.0014863600000000 ] - [ -0.0068050400000000, 0.0013303100000000, 0.0028915900000000 ] - [ -0.0019368200000000, -0.0006577000000000, -0.0009556500000000 ] - [ 0.0022610600000000, 0.0030138600000000, -0.0092247100000000 ] - [ -0.0094984600000000, -0.0026772500000000, -0.0019994900000000 ] - [ 0.0040995400000000, 0.0016183000000000, -0.0011568100000000 ] - [ -0.0024378000000000, 0.0004262600000000, 0.0035051700000000 ] - [ -0.0029703900000000, 0.0000174300000000, -0.0000936000000000 ] - [ 0.0008738300000000, 0.0000564700000000, 0.0000417700000000 ] - [ 0.0003257800000000, -0.0000817500000000, 0.0003421500000000 ] - [ -0.0042793700000000, 0.0010456600000000, -0.0016092500000000 ] - [ 0.0574407400000000, 0.0027346400000000, -0.0005774300000000 ] - [ -0.0016558200000000, -0.0002368400000000, -0.0015799100000000 ] - [ -0.0003805100000000, -0.0005204200000000, -0.0000687200000000 ] - [ -0.0045839900000000, -0.0002065200000000, -0.0003797000000000 ] - [ 0.0001172500000000, 0.0014591000000000, 0.0031213700000000 ] - [ 0.0024022100000000, 0.0025714600000000, 0.0044933900000000 ] - [ 0.0002590600000000, -0.0000611900000000, -0.0050275400000000 ] - [ -0.0061607100000000, -0.0013029800000000, 0.0021347900000000 ] - [ -0.0019556000000000, 0.0004133700000000, 0.0003630400000000 ] - [ 0.0033921000000000, -0.0008801100000000, -0.0007949900000000 ] - [ -0.0013503200000000, -0.0000529900000000, 0.0000061800000000 ] - [ -0.0043132900000000, -0.0012987400000000, -0.0011102800000000 ] - [ 0.0011169000000000, 0.0000271600000000, -0.0014761200000000 ] - [ 0.0017997800000000, 0.0001447700000000, 0.0023970100000000 ] - [ -0.0072158500000000, -0.0083085300000000, 0.0066352300000000 ] - [ 0.0012249600000000, -0.0000074500000000, -0.0004490000000000 ] - [ 0.0122860600000000, -0.0055900100000000, 0.0054800200000000 ] - [ 0.0011337300000000, -0.0000720900000000, 0.0001674000000000 ] - [ 0.0007427800000000, 0.0001012700000000, -0.0004736700000000 ] - [ -0.0009208200000000, 0.0002606500000000, -0.0000353700000000 ] - [ -0.1223403200000000, -0.0071487500000000, 0.0141731900000000 ] - [ -0.0108369000000000, -0.0129769400000000, -0.0087362300000000 ] - [ 0.0018494700000000, -0.0000588300000000, 0.0001678400000000 ] - [ -0.0046726300000000, 0.0001754800000000, 0.0057614100000000 ] - [ 0.0015334800000000, -0.0002156400000000, -0.0009601100000000 ] - [ 0.0022691800000000, -0.0015041300000000, -0.0026173300000000 ] - [ 0.0036249500000000, -0.0007655000000000, -0.0026266100000000 ] - [ -0.0002624700000000, -0.0000033900000000, 0.0000629500000000 ] - [ 0.0024370700000000, 0.0004084900000000, 0.0005486900000000 ] - [ 0.0012787000000000, 0.0001053800000000, 0.0000939400000000 ] - [ 0.0073338300000000, 0.0252352000000000, -0.0004924600000000 ] - [ 0.0030014300000000, 0.0000432400000000, 0.0006842000000000 ] - [ -0.0014648700000000, -0.0001929500000000, 0.0003047600000000 ] - [ 0.0044021400000000, 0.0005210600000000, 0.0005406000000000 ] - [ 0.0054424000000000, 0.0006890700000000, 0.0015431400000000 ] - [ 0.0001984400000000, -0.0006564100000000, 0.0030912200000000 ] - [ -0.0008761600000000, -0.0005655200000000, -0.0105151300000000 ] - [ 0.0012679200000000, 0.0010299100000000, -0.0018775000000000 ] - [ -0.0010308000000000, 0.0001238600000000, -0.0004658100000000 ] - [ 0.0062031000000000, 0.0005093600000000, 0.0060702500000000 ] - [ 0.0036379500000000, -0.0003610400000000, 0.0004769100000000 ] - [ 0.0037289500000000, -0.0004813100000000, -0.0002794000000000 ] - [ -0.0018455700000000, 0.0004135100000000, -0.0015918400000000 ] - [ -0.0001724200000000, 0.0000742400000000, -0.0014163400000000 ] - [ -0.0021176200000000, 0.0010872000000000, 0.0026905600000000 ] - [ 0.0090676500000000, 0.0029993300000000, 0.0026876000000000 ] - [ 0.0010089200000000, 0.0001020200000000, -0.0002619100000000 ] - [ 0.0022488700000000, 0.0000253800000000, -0.0001992800000000 ] - [ -0.0006608900000000, -0.0001383700000000, 0.0000061000000000 ] - [ 0.0003135400000000, 0.0001704200000000, 0.0001335600000000 ] - [ -0.0032228000000000, -0.0015034100000000, -0.0013594600000000 ] - [ 0.0016964700000000, -0.0000244400000000, 0.0007954200000000 ] - [ -0.0014342700000000, -0.0001642300000000, -0.0002134700000000 ] - [ -0.0005224200000000, 0.0010337500000000, -0.0029718000000000 ] - [ 0.0008911600000000, 0.0007407600000000, 0.0011492700000000 ] - [ 0.0146892600000000, 0.0003600600000000, -0.0074337700000000 ] - [ 0.0029448000000000, -0.0003456900000000, -0.0011844600000000 ] - [ 0.0021396000000000, -0.0003042000000000, 0.0014417200000000 ] - [ 0.0005342900000000, -0.0002671300000000, 0.0006262700000000 ]- atom: 42 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0175839000000000, 0.0005052800000000, 0.0003621300000000 ] - [ 0.0015108600000000, 0.0001426900000000, -0.0005372600000000 ] - [ -0.0015342000000000, 0.0002929100000000, 0.0021421600000000 ] - [ -0.0136088100000000, -0.0003174100000000, 0.0042810500000000 ] - [ 0.0022708400000000, 0.0000967000000000, -0.0009177200000000 ] - [ 0.0025653900000000, 0.0000866300000000, 0.0006250000000000 ] - [ -0.0002933300000000, 0.0006816400000000, -0.0032975500000000 ] - [ -0.0023487000000000, 0.0002725100000000, -0.0006359300000000 ] - [ -0.0197938500000000, 0.0017149300000000, -0.0000791700000000 ] - [ 0.0062340200000000, -0.0007680300000000, 0.0016181900000000 ] - [ 0.0080519000000000, -0.0004683700000000, -0.0014315600000000 ] - [ 0.0076470300000000, -0.0013437300000000, -0.0029022700000000 ] - [ 0.0020930600000000, 0.0006596200000000, 0.0009561900000000 ] - [ -0.0019586300000000, -0.0029539900000000, 0.0092120200000000 ] - [ 0.0093875200000000, 0.0026173200000000, 0.0016167100000000 ] - [ -0.0042028700000000, -0.0013833300000000, 0.0014486000000000 ] - [ 0.0024368700000000, -0.0005382400000000, -0.0031073400000000 ] - [ 0.0028573400000000, -0.0002545000000000, 0.0003676300000000 ] - [ -0.0007631800000000, 0.0001822500000000, -0.0003050200000000 ] - [ -0.0003299900000000, -0.0002907200000000, -0.0002167200000000 ] - [ 0.0040961100000000, -0.0010370200000000, 0.0015892800000000 ] - [ -0.0573348600000000, -0.0022682200000000, 0.0002993800000000 ] - [ 0.0016684700000000, -0.0001323000000000, 0.0014502500000000 ] - [ 0.0003847300000000, 0.0006364700000000, -0.0002937400000000 ] - [ 0.0046610800000000, -0.0000227500000000, 0.0001088300000000 ] - [ -0.0001275800000000, -0.0013306900000000, -0.0027426500000000 ] - [ -0.0022335800000000, -0.0027790400000000, -0.0042877100000000 ] - [ -0.0002728900000000, 0.0004503000000000, 0.0049132700000000 ] - [ 0.0061310600000000, 0.0016582600000000, -0.0019942800000000 ] - [ 0.0020484600000000, -0.0001741500000000, -0.0001008100000000 ] - [ -0.0035539700000000, 0.0008796400000000, 0.0007933700000000 ] - [ 0.0012475900000000, 0.0002915900000000, -0.0002679200000000 ] - [ 0.0045014600000000, 0.0012095700000000, 0.0014056400000000 ] - [ -0.0015387600000000, 0.0000749900000000, 0.0010662800000000 ] - [ -0.0020316100000000, -0.0004074400000000, -0.0021410600000000 ] - [ 0.0068618900000000, 0.0083571700000000, -0.0069218800000000 ] - [ -0.0012188200000000, 0.0003426000000000, 0.0004480400000000 ] - [ -0.0122780700000000, 0.0052252200000000, -0.0055989400000000 ] - [ -0.0013248300000000, 0.0001636900000000, -0.0004462300000000 ] - [ -0.0007410400000000, -0.0003235400000000, 0.0005755000000000 ] - [ 0.0011589700000000, -0.0000023100000000, -0.0002314200000000 ] - [ 0.1214341300000000, 0.0054998200000000, -0.0141123700000000 ] - [ 0.0106254600000000, 0.0128731700000000, 0.0088024700000000 ] - [ -0.0020368100000000, -0.0000307700000000, 0.0001101000000000 ] - [ 0.0044390000000000, -0.0000900600000000, -0.0054988300000000 ] - [ -0.0016372200000000, 0.0002013800000000, 0.0010502600000000 ] - [ -0.0022233700000000, 0.0012585900000000, 0.0024916000000000 ] - [ -0.0036026000000000, 0.0010149200000000, 0.0024618100000000 ] - [ 0.0002661800000000, 0.0003643800000000, -0.0000292300000000 ] - [ -0.0022306600000000, -0.0003185000000000, -0.0002638900000000 ] - [ -0.0008413900000000, 0.0000084500000000, 0.0003132700000000 ] - [ -0.0069091000000000, -0.0255477300000000, 0.0009245100000000 ] - [ -0.0029864300000000, -0.0003749300000000, -0.0006822000000000 ] - [ 0.0014593600000000, 0.0005291400000000, -0.0003180500000000 ] - [ -0.0047973900000000, -0.0006267700000000, -0.0001333800000000 ] - [ -0.0051595900000000, -0.0009417300000000, -0.0017945300000000 ] - [ -0.0004678700000000, 0.0009087200000000, -0.0028212500000000 ] - [ 0.0007180200000000, 0.0005584700000000, 0.0105493500000000 ] - [ -0.0012678700000000, -0.0008003700000000, 0.0017566900000000 ] - [ 0.0009118700000000, -0.0001338700000000, 0.0003705000000000 ] - [ -0.0062905400000000, -0.0002891200000000, -0.0059793200000000 ] - [ -0.0037420000000000, 0.0003728700000000, -0.0005636000000000 ] - [ -0.0035150600000000, 0.0003936000000000, -0.0000029200000000 ] - [ 0.0022859200000000, -0.0003038900000000, 0.0011743200000000 ] - [ 0.0001759300000000, -0.0003332800000000, 0.0012635000000000 ] - [ 0.0023599100000000, -0.0013452100000000, -0.0024176300000000 ] - [ -0.0089647700000000, -0.0033202500000000, -0.0026031900000000 ] - [ -0.0008875500000000, -0.0001143200000000, 0.0001716100000000 ] - [ -0.0021257400000000, -0.0000149700000000, 0.0002815800000000 ] - [ 0.0002207300000000, 0.0002505700000000, 0.0003987900000000 ] - [ -0.0005494500000000, 0.0000865100000000, -0.0004042500000000 ] - [ 0.0033348300000000, 0.0014917900000000, 0.0014394000000000 ] - [ -0.0014527900000000, 0.0002854300000000, -0.0005128100000000 ] - [ 0.0016236600000000, 0.0002503200000000, -0.0000725200000000 ] - [ 0.0000540100000000, -0.0011256500000000, 0.0025399000000000 ] - [ -0.0008975500000000, -0.0003846800000000, -0.0011756900000000 ] - [ -0.0149277100000000, -0.0001664200000000, 0.0076609200000000 ] - [ -0.0024949400000000, 0.0002329400000000, 0.0007637200000000 ] - [ -0.0021024000000000, -0.0000710800000000, -0.0014730400000000 ] - [ -0.0005394200000000, 0.0000063000000000, -0.0004879600000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002853500000000, 0.0022683100000000, -0.0076921000000000 ] - [ 0.0004604200000000, 0.0001331200000000, 0.0000224200000000 ] - [ -0.0000513500000000, 0.0001202000000000, 0.0009678800000000 ] - [ 0.0057790700000000, 0.0018585300000000, -0.0045579700000000 ] - [ -0.0002934900000000, -0.0000187500000000, 0.0001299800000000 ] - [ 0.0002273900000000, 0.0001310800000000, 0.0001006200000000 ] - [ 0.0004034900000000, -0.0003041600000000, -0.0000228300000000 ] - [ -0.0005733200000000, 0.0001712600000000, -0.0000436000000000 ] - [ -0.0031764000000000, 0.0026376000000000, 0.0098530000000000 ] - [ 0.0003047800000000, 0.0001066100000000, -0.0009936500000000 ] - [ -0.0011441300000000, 0.0000659300000000, 0.0000480800000000 ] - [ 0.0005187400000000, 0.0000558600000000, 0.0011407700000000 ] - [ 0.0003002700000000, -0.0000015600000000, 0.0001003600000000 ] - [ 0.0035824100000000, 0.0045208700000000, 0.0036701200000000 ] - [ -0.0068943600000000, 0.0063521400000000, -0.0004679500000000 ] - [ -0.0008972700000000, -0.0004014200000000, 0.0012064500000000 ] - [ 0.0004158300000000, 0.0004484800000000, 0.0009431300000000 ] - [ -0.0001190300000000, -0.0000296800000000, -0.0000369000000000 ] - [ -0.0000873900000000, 0.0001601700000000, -0.0000233400000000 ] - [ 0.0000178400000000, -0.0002040300000000, 0.0000580900000000 ] - [ -0.0001549300000000, 0.0001951800000000, -0.0001694700000000 ] - [ 0.0056648000000000, 0.1452170600000000, -0.0009416400000000 ] - [ 0.0008947900000000, -0.0000295500000000, 0.0001951000000000 ] - [ 0.0000424700000000, 0.0001532900000000, 0.0000696600000000 ] - [ -0.0008400500000000, 0.0002334300000000, -0.0002684400000000 ] - [ -0.0000516100000000, -0.0005232600000000, -0.0003967600000000 ] - [ 0.0035301000000000, 0.0052568700000000, -0.0074896500000000 ] - [ -0.0000970500000000, -0.0010327600000000, -0.0011069700000000 ] - [ 0.0016711800000000, -0.0015372100000000, -0.0010360000000000 ] - [ 0.0003538400000000, 0.0001479300000000, 0.0001669300000000 ] - [ -0.0010593900000000, 0.0004848200000000, 0.0004004900000000 ] - [ 0.0001058800000000, 0.0001307000000000, -0.0000933400000000 ] - [ 0.0016577800000000, 0.0001977700000000, 0.0022986800000000 ] - [ -0.0006018200000000, 0.0003661200000000, -0.0000680200000000 ] - [ -0.0003605900000000, 0.0002039400000000, 0.0001807100000000 ] - [ -0.0085210400000000, 0.0420136100000000, -0.0105416100000000 ] - [ -0.0001523300000000, 0.0001483700000000, -0.0000108000000000 ] - [ -0.0031958300000000, -0.0013418500000000, -0.0002963500000000 ] - [ -0.0002181700000000, 0.0000286500000000, -0.0001879000000000 ] - [ -0.0000491300000000, -0.0000623700000000, -0.0000388100000000 ] - [ 0.0003345300000000, 0.0000769400000000, -0.0002213400000000 ] - [ -0.0060952300000000, -0.2969447900000000, -0.0062876800000000 ] - [ -0.0109970600000000, 0.0478906100000000, 0.0221365900000000 ] - [ -0.0001815900000000, -0.0000751100000000, 0.0002064800000000 ] - [ -0.0002059200000000, -0.0010043800000000, -0.0013449300000000 ] - [ -0.0002573300000000, -0.0000717600000000, -0.0000221000000000 ] - [ -0.0027296800000000, 0.0021817400000000, -0.0000300700000000 ] - [ 0.0003603700000000, -0.0008442000000000, -0.0001727000000000 ] - [ -0.0000030000000000, 0.0002313300000000, -0.0000235700000000 ] - [ -0.0000201300000000, 0.0000195900000000, 0.0000972000000000 ] - [ 0.0000951300000000, -0.0000000800000000, 0.0001089400000000 ] - [ 0.0210719800000000, 0.0434225100000000, -0.0006725400000000 ] - [ 0.0003472200000000, -0.0001075600000000, 0.0002843400000000 ] - [ 0.0003096100000000, 0.0003563200000000, -0.0002048700000000 ] - [ 0.0022241200000000, -0.0004489800000000, 0.0001721400000000 ] - [ 0.0001023700000000, 0.0002078600000000, 0.0002465500000000 ] - [ -0.0015787400000000, -0.0002555600000000, -0.0013217600000000 ] - [ 0.0004796100000000, -0.0029468300000000, -0.0010488300000000 ] - [ -0.0000665600000000, 0.0000408600000000, -0.0001858000000000 ] - [ 0.0000785000000000, -0.0000289200000000, -0.0000807000000000 ] - [ 0.0010506300000000, -0.0012517100000000, 0.0018166600000000 ] - [ 0.0003151300000000, -0.0003031000000000, 0.0000488400000000 ] - [ 0.0004760400000000, 0.0000024800000000, -0.0002445900000000 ] - [ 0.0005923700000000, -0.0004246400000000, -0.0000952700000000 ] - [ -0.0000441800000000, -0.0001430800000000, 0.0001153200000000 ] - [ 0.0000553500000000, -0.0016820800000000, -0.0002559900000000 ] - [ 0.0019109700000000, 0.0029014600000000, 0.0020609200000000 ] - [ -0.0000535100000000, -0.0000139000000000, -0.0001048300000000 ] - [ 0.0000727300000000, -0.0000250400000000, 0.0000275500000000 ] - [ -0.0001566600000000, 0.0000478600000000, 0.0000879700000000 ] - [ -0.0002027500000000, 0.0001683500000000, -0.0001411100000000 ] - [ 0.0015411100000000, 0.0009659400000000, 0.0002885700000000 ] - [ -0.0001840900000000, 0.0001605900000000, 0.0002856100000000 ] - [ 0.0003028600000000, -0.0000629100000000, -0.0002831800000000 ] - [ -0.0023317600000000, -0.0000957500000000, 0.0003809700000000 ] - [ -0.0003610100000000, -0.0000423400000000, -0.0002360900000000 ] - [ -0.0001603300000000, -0.0022472000000000, -0.0006964700000000 ] - [ 0.0002054600000000, -0.0000980800000000, -0.0003706200000000 ] - [ -0.0031563500000000, 0.0022396900000000, 0.0009128600000000 ] - [ -0.0002472600000000, -0.0001174300000000, -0.0003008100000000 ]- atom: 42 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002467700000000, -0.0022975700000000, 0.0073606600000000 ] - [ -0.0000467400000000, 0.0001300700000000, 0.0000354600000000 ] - [ 0.0004665500000000, 0.0001501000000000, -0.0010331100000000 ] - [ -0.0050594400000000, -0.0018811100000000, 0.0045306500000000 ] - [ -0.0005739400000000, 0.0000203400000000, -0.0001277100000000 ] - [ -0.0006424300000000, 0.0001319300000000, -0.0001555500000000 ] - [ 0.0004655300000000, 0.0003168900000000, 0.0000226300000000 ] - [ 0.0001609500000000, 0.0000923200000000, 0.0000987800000000 ] - [ 0.0021362100000000, -0.0024650000000000, -0.0095197100000000 ] - [ 0.0001029600000000, -0.0003537800000000, 0.0009424200000000 ] - [ 0.0007345500000000, -0.0003258100000000, -0.0000003000000000 ] - [ 0.0003377000000000, -0.0000439100000000, -0.0011406400000000 ] - [ -0.0001395000000000, 0.0000024300000000, -0.0001062200000000 ] - [ -0.0034658100000000, -0.0046511200000000, -0.0037014400000000 ] - [ 0.0069430400000000, -0.0065951900000000, 0.0001139900000000 ] - [ 0.0007871400000000, 0.0006183100000000, -0.0009330100000000 ] - [ -0.0004230400000000, -0.0005674200000000, -0.0005852100000000 ] - [ 0.0000196600000000, -0.0001990000000000, 0.0003105500000000 ] - [ 0.0001845700000000, 0.0000692000000000, -0.0002459300000000 ] - [ -0.0000142400000000, -0.0001622700000000, 0.0000666800000000 ] - [ -0.0000082800000000, -0.0001958900000000, 0.0001736800000000 ] - [ -0.0061703400000000, -0.1604762700000000, 0.0007620600000000 ] - [ -0.0009098400000000, -0.0003398200000000, -0.0003186900000000 ] - [ -0.0000440100000000, -0.0000427000000000, -0.0004291800000000 ] - [ 0.0009399200000000, -0.0004665800000000, -0.0000055100000000 ] - [ 0.0000595200000000, 0.0006393200000000, 0.0007592700000000 ] - [ -0.0034750500000000, -0.0056071800000000, 0.0078503000000000 ] - [ 0.0001153200000000, 0.0013998300000000, 0.0009749300000000 ] - [ -0.0016691700000000, 0.0019144300000000, 0.0011361200000000 ] - [ -0.0002570400000000, 0.0000823200000000, 0.0001017000000000 ] - [ 0.0008972100000000, -0.0004944900000000, -0.0003933700000000 ] - [ -0.0002026300000000, 0.0000991500000000, -0.0001698600000000 ] - [ -0.0014835500000000, -0.0002728700000000, -0.0020524800000000 ] - [ 0.0001644400000000, -0.0002954300000000, -0.0003469100000000 ] - [ 0.0001335200000000, -0.0004869800000000, 0.0000754100000000 ] - [ 0.0086968200000000, -0.0424220100000000, 0.0107256000000000 ] - [ 0.0001555600000000, 0.0001642600000000, 0.0000068400000000 ] - [ 0.0029073400000000, 0.0011023500000000, 0.0000359000000000 ] - [ 0.0000255400000000, 0.0000562200000000, -0.0000854000000000 ] - [ 0.0000522900000000, -0.0001599100000000, 0.0001486500000000 ] - [ -0.0001101300000000, 0.0002065100000000, -0.0000391700000000 ] - [ 0.0065532800000000, 0.3128133700000000, 0.0062718500000000 ] - [ 0.0113128800000000, -0.0487214900000000, -0.0227903400000000 ] - [ -0.0000092500000000, -0.0000018700000000, 0.0000753200000000 ] - [ 0.0000041100000000, 0.0011221300000000, 0.0015766000000000 ] - [ 0.0001508700000000, 0.0000534800000000, 0.0001055600000000 ] - [ 0.0027558300000000, -0.0024119900000000, -0.0000827300000000 ] - [ -0.0003470800000000, 0.0010640600000000, 0.0000369700000000 ] - [ -0.0000019300000000, 0.0001464100000000, 0.0000578300000000 ] - [ 0.0002167900000000, 0.0000609500000000, 0.0001767000000000 ] - [ 0.0003454900000000, 0.0000773700000000, 0.0002987500000000 ] - [ -0.0212739200000000, -0.0439304400000000, 0.0011028500000000 ] - [ -0.0003482400000000, -0.0002037800000000, -0.0002823000000000 ] - [ -0.0003096500000000, -0.0000393100000000, 0.0001969000000000 ] - [ -0.0027000300000000, 0.0003900900000000, 0.0002355200000000 ] - [ 0.0001301400000000, -0.0004938500000000, -0.0005015700000000 ] - [ 0.0013755200000000, 0.0005491400000000, 0.0016088000000000 ] - [ -0.0006547900000000, 0.0029951700000000, 0.0012609300000000 ] - [ 0.0000680600000000, 0.0001842100000000, 0.0000761500000000 ] - [ -0.0001897600000000, 0.0000087300000000, -0.0000108800000000 ] - [ -0.0010173800000000, 0.0015121900000000, -0.0016609700000000 ] - [ -0.0004253900000000, 0.0003298100000000, -0.0001356900000000 ] - [ -0.0002805200000000, -0.0000776100000000, -0.0000324100000000 ] - [ -0.0001630600000000, 0.0004850500000000, -0.0003076100000000 ] - [ 0.0000381400000000, -0.0000907200000000, -0.0002593900000000 ] - [ 0.0001626200000000, 0.0013820200000000, 0.0005131800000000 ] - [ -0.0019352700000000, -0.0032860300000000, -0.0020456000000000 ] - [ 0.0001708600000000, -0.0000081500000000, 0.0000150700000000 ] - [ 0.0000403800000000, 0.0000479300000000, 0.0000636100000000 ] - [ -0.0002769500000000, 0.0000273800000000, 0.0003194000000000 ] - [ -0.0000351300000000, 0.0001111600000000, -0.0001124900000000 ] - [ -0.0014437000000000, -0.0009870000000000, -0.0001978300000000 ] - [ 0.0004272200000000, 0.0001245700000000, -0.0000313700000000 ] - [ -0.0001073800000000, 0.0001440700000000, 0.0000029000000000 ] - [ 0.0019296900000000, 0.0000371100000000, -0.0008026200000000 ] - [ 0.0003658700000000, 0.0004141300000000, 0.0002024000000000 ] - [ 0.0002456900000000, 0.0024938000000000, 0.0007688900000000 ] - [ 0.0002439100000000, 0.0000257400000000, -0.0000388600000000 ] - [ 0.0031849900000000, -0.0026249100000000, -0.0009583300000000 ] - [ 0.0002527100000000, -0.0001165500000000, 0.0004419300000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0073643700000000, -0.0031749700000000, 0.0196530100000000 ] - [ 0.0008239000000000, 0.0000627100000000, -0.0028683100000000 ] - [ -0.0032638800000000, -0.0005226100000000, -0.0048854500000000 ] - [ 0.0000291900000000, -0.0026432400000000, 0.0227511000000000 ] - [ 0.0005653200000000, 0.0001224400000000, -0.0018450800000000 ] - [ -0.0006138300000000, 0.0001497100000000, -0.0013003500000000 ] - [ 0.0037568800000000, 0.0010955600000000, -0.0068497700000000 ] - [ 0.0004670700000000, -0.0000967700000000, -0.0064250900000000 ] - [ 0.0030857200000000, 0.0030590600000000, 0.0204143400000000 ] - [ -0.0040324000000000, -0.0002089300000000, 0.0027024800000000 ] - [ 0.0007365700000000, -0.0004579800000000, 0.0019192600000000 ] - [ 0.0052852400000000, 0.0001691900000000, 0.0021882900000000 ] - [ -0.0009180500000000, -0.0006107000000000, -0.0024757400000000 ] - [ -0.0104962000000000, 0.0014501800000000, -0.0012638500000000 ] - [ 0.0009160700000000, 0.0004891600000000, 0.0095994300000000 ] - [ 0.0019318700000000, 0.0006180700000000, -0.0056126200000000 ] - [ 0.0031443400000000, 0.0010430900000000, 0.0010400700000000 ] - [ 0.0003389800000000, -0.0001851800000000, 0.0007223900000000 ] - [ -0.0002722200000000, 0.0001468500000000, -0.0046662700000000 ] - [ -0.0007098100000000, 0.0000016100000000, -0.0031969600000000 ] - [ 0.0002116300000000, -0.0000175900000000, 0.0013976700000000 ] - [ -0.0006705500000000, 0.0021672200000000, 0.0583720900000000 ] - [ -0.0024138800000000, -0.0002197100000000, -0.0012642900000000 ] - [ -0.0000123400000000, 0.0003843900000000, -0.0027664100000000 ] - [ 0.0005403900000000, -0.0001365500000000, 0.0016196600000000 ] - [ 0.0019771500000000, -0.0011661600000000, -0.0043213400000000 ] - [ 0.0044435100000000, -0.0050426200000000, -0.0046178800000000 ] - [ -0.0026469700000000, 0.0025368800000000, -0.0009019200000000 ] - [ -0.0028767200000000, 0.0022787400000000, 0.0044427000000000 ] - [ 0.0017590100000000, -0.0000201500000000, -0.0005591000000000 ] - [ -0.0008713300000000, 0.0001315300000000, -0.0065266500000000 ] - [ 0.0000666400000000, 0.0000695500000000, -0.0015918900000000 ] - [ -0.0008632900000000, -0.0008867300000000, 0.0042754100000000 ] - [ -0.0023374500000000, 0.0009950800000000, 0.0009994500000000 ] - [ 0.0021563200000000, -0.0008282600000000, 0.0019056600000000 ] - [ 0.0087847500000000, -0.0130039000000000, -0.0018793300000000 ] - [ -0.0006278700000000, 0.0001608500000000, 0.0013517500000000 ] - [ 0.0086075900000000, -0.0000195200000000, -0.0056082400000000 ] - [ 0.0002550300000000, 0.0000583400000000, 0.0011863500000000 ] - [ -0.0010419500000000, -0.0012361100000000, 0.0020310800000000 ] - [ 0.0014556700000000, 0.0011747200000000, 0.0036992700000000 ] - [ 0.0145193400000000, -0.0074126700000000, -0.1307651700000000 ] - [ -0.0085561000000000, 0.0261204500000000, 0.0029243200000000 ] - [ 0.0003399500000000, -0.0000969000000000, 0.0006321200000000 ] - [ 0.0040495900000000, -0.0032197400000000, 0.0122725800000000 ] - [ -0.0010674800000000, -0.0000785400000000, 0.0009044000000000 ] - [ -0.0086499900000000, 0.0041551300000000, 0.0032010000000000 ] - [ -0.0008795400000000, 0.0000455300000000, -0.0022658800000000 ] - [ -0.0001589200000000, -0.0003291700000000, 0.0017489700000000 ] - [ -0.0006348500000000, -0.0001338500000000, -0.0001841000000000 ] - [ 0.0000773500000000, 0.0001016100000000, 0.0013802900000000 ] - [ -0.0019849100000000, -0.0027683400000000, -0.0143671200000000 ] - [ -0.0001376200000000, -0.0005262700000000, -0.0014352800000000 ] - [ 0.0008393800000000, 0.0005708000000000, 0.0057591200000000 ] - [ -0.0008916900000000, -0.0000901500000000, -0.0024621400000000 ] - [ 0.0004013600000000, -0.0001715600000000, -0.0016306000000000 ] - [ 0.0030616300000000, -0.0003368700000000, 0.0016029300000000 ] - [ -0.0104882200000000, 0.0011522100000000, 0.0161987700000000 ] - [ -0.0020438400000000, -0.0001906100000000, 0.0006075100000000 ] - [ 0.0003626800000000, 0.0000223000000000, 0.0032972600000000 ] - [ 0.0056626200000000, 0.0020994800000000, -0.0037792600000000 ] - [ -0.0005832000000000, 0.0001012500000000, -0.0022343400000000 ] - [ -0.0002345500000000, 0.0001230100000000, -0.0013171900000000 ] - [ -0.0013418800000000, -0.0005582500000000, 0.0027553000000000 ] - [ -0.0004922800000000, -0.0005075400000000, 0.0034536600000000 ] - [ 0.0014345800000000, 0.0019697400000000, 0.0036322500000000 ] - [ -0.0021314300000000, -0.0034078800000000, -0.0030062700000000 ] - [ -0.0001589600000000, 0.0000471900000000, 0.0011994200000000 ] - [ 0.0002938700000000, 0.0000287800000000, -0.0002178200000000 ] - [ -0.0000031800000000, 0.0002548600000000, 0.0022518900000000 ] - [ -0.0003769100000000, 0.0005211400000000, 0.0018614200000000 ] - [ 0.0014683800000000, 0.0002309200000000, 0.0051145000000000 ] - [ 0.0008775900000000, -0.0000342500000000, -0.0003403200000000 ] - [ -0.0003588800000000, -0.0002000200000000, 0.0042296400000000 ] - [ -0.0041098800000000, 0.0006219800000000, -0.0000589200000000 ] - [ 0.0015042900000000, 0.0002761200000000, 0.0004653600000000 ] - [ -0.0080787100000000, -0.0026644000000000, -0.0039576400000000 ] - [ -0.0008889900000000, 0.0001474100000000, -0.0004364600000000 ] - [ 0.0092061700000000, -0.0040536200000000, 0.0000336300000000 ] - [ 0.0008475000000000, 0.0003035100000000, 0.0020872400000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0064808400000000, 0.0035141200000000, -0.0207802100000000 ] - [ -0.0004035300000000, 0.0002117600000000, 0.0029202100000000 ] - [ 0.0036408300000000, 0.0007795100000000, 0.0048498500000000 ] - [ 0.0004669200000000, 0.0024452800000000, -0.0226785600000000 ] - [ -0.0014221300000000, -0.0001239700000000, 0.0018386200000000 ] - [ 0.0002156000000000, 0.0001218500000000, 0.0012609700000000 ] - [ -0.0029182000000000, -0.0011101400000000, 0.0068436400000000 ] - [ -0.0008736600000000, 0.0003658700000000, 0.0064665100000000 ] - [ -0.0044916000000000, -0.0024364200000000, -0.0193301100000000 ] - [ 0.0044661000000000, -0.0000578800000000, -0.0027714000000000 ] - [ -0.0011024600000000, 0.0001833900000000, -0.0018844000000000 ] - [ -0.0044050000000000, -0.0001578600000000, -0.0021586200000000 ] - [ 0.0010980000000000, 0.0006119300000000, 0.0024759100000000 ] - [ 0.0106627500000000, -0.0014079700000000, 0.0013951100000000 ] - [ -0.0010131900000000, -0.0005645900000000, -0.0099818300000000 ] - [ -0.0020367900000000, -0.0003676800000000, 0.0058731300000000 ] - [ -0.0031372200000000, -0.0011704100000000, -0.0006978500000000 ] - [ -0.0004406300000000, -0.0000624700000000, -0.0004655800000000 ] - [ 0.0003740000000000, 0.0001030400000000, 0.0043995500000000 ] - [ 0.0007157600000000, -0.0003896400000000, 0.0033197300000000 ] - [ -0.0003636500000000, 0.0000141000000000, -0.0013788700000000 ] - [ 0.0004731500000000, -0.0017268000000000, -0.0585276400000000 ] - [ 0.0024195900000000, -0.0001624300000000, 0.0011586200000000 ] - [ 0.0000073400000000, -0.0002470600000000, 0.0023991100000000 ] - [ -0.0004298500000000, -0.0001042100000000, -0.0018874000000000 ] - [ -0.0019674400000000, 0.0012831400000000, 0.0046763900000000 ] - [ -0.0043199200000000, 0.0048612800000000, 0.0047677400000000 ] - [ 0.0026628900000000, -0.0021751300000000, 0.0007681100000000 ] - [ 0.0029181300000000, -0.0018814600000000, -0.0043342100000000 ] - [ -0.0016328100000000, 0.0002642100000000, 0.0008276500000000 ] - [ 0.0006897600000000, -0.0001251700000000, 0.0065373000000000 ] - [ -0.0001766800000000, 0.0001785800000000, 0.0013324300000000 ] - [ 0.0010864800000000, 0.0007931400000000, -0.0039784800000000 ] - [ 0.0018993800000000, -0.0008641500000000, -0.0014204800000000 ] - [ -0.0023975500000000, 0.0006110100000000, -0.0016429800000000 ] - [ -0.0089167000000000, 0.0129248300000000, 0.0014794000000000 ] - [ 0.0006231600000000, 0.0001693400000000, -0.0013526600000000 ] - [ -0.0088684100000000, -0.0002056400000000, 0.0052941500000000 ] - [ -0.0004508900000000, 0.0000405400000000, -0.0014539600000000 ] - [ 0.0010517100000000, 0.0009901500000000, -0.0019020400000000 ] - [ -0.0012261700000000, -0.0009467800000000, -0.0039620800000000 ] - [ -0.0137575700000000, 0.0051405400000000, 0.1306218500000000 ] - [ 0.0086654600000000, -0.0265352600000000, -0.0027991100000000 ] - [ -0.0005409100000000, -0.0000054500000000, -0.0003509200000000 ] - [ -0.0041357600000000, 0.0032467700000000, -0.0117919100000000 ] - [ 0.0009416200000000, 0.0000624300000000, -0.0008223200000000 ] - [ 0.0085518600000000, -0.0043637200000000, -0.0033039200000000 ] - [ 0.0008648600000000, 0.0002367500000000, 0.0021447600000000 ] - [ 0.0001515500000000, 0.0007258800000000, -0.0016851700000000 ] - [ 0.0008152900000000, 0.0002315400000000, 0.0004450300000000 ] - [ 0.0003455700000000, 0.0000263600000000, -0.0009593500000000 ] - [ 0.0025792300000000, 0.0029357100000000, 0.0147389800000000 ] - [ 0.0001306600000000, 0.0001985200000000, 0.0014454400000000 ] - [ -0.0008347700000000, -0.0002354200000000, -0.0057398800000000 ] - [ 0.0004884800000000, -0.0000341300000000, 0.0028810600000000 ] - [ -0.0001916500000000, -0.0000642400000000, 0.0013568200000000 ] - [ -0.0032998600000000, 0.0005708400000000, -0.0013749700000000 ] - [ 0.0105757700000000, -0.0011678000000000, -0.0163935500000000 ] - [ 0.0020519800000000, 0.0004288600000000, -0.0007169200000000 ] - [ -0.0004770100000000, -0.0000341000000000, -0.0033817700000000 ] - [ -0.0056834200000000, -0.0018468800000000, 0.0039558500000000 ] - [ 0.0004557300000000, -0.0000943700000000, 0.0021506300000000 ] - [ 0.0004214300000000, -0.0002190300000000, 0.0010385700000000 ] - [ 0.0017577800000000, 0.0006757400000000, -0.0031652800000000 ] - [ 0.0004854400000000, 0.0002327900000000, -0.0035921200000000 ] - [ -0.0012126400000000, -0.0022091700000000, -0.0033710300000000 ] - [ 0.0020903700000000, 0.0029997500000000, 0.0030534200000000 ] - [ 0.0002774600000000, -0.0000583000000000, -0.0012832300000000 ] - [ -0.0001850800000000, -0.0000202900000000, 0.0003139000000000 ] - [ -0.0004083900000000, -0.0001303800000000, -0.0018318700000000 ] - [ 0.0001369900000000, -0.0002937000000000, -0.0021194400000000 ] - [ -0.0013285700000000, -0.0002405400000000, -0.0050112800000000 ] - [ -0.0006463700000000, 0.0002678600000000, 0.0005939600000000 ] - [ 0.0005517500000000, 0.0003014600000000, -0.0045005500000000 ] - [ 0.0036848300000000, -0.0007602800000000, -0.0003205100000000 ] - [ -0.0015008200000000, 0.0001113800000000, -0.0005349700000000 ] - [ 0.0080707600000000, 0.0028911300000000, 0.0040301400000000 ] - [ 0.0013055500000000, -0.0002725400000000, 0.0000285800000000 ] - [ -0.0093116600000000, 0.0036952700000000, -0.0000911200000000 ] - [ -0.0008438100000000, -0.0005732000000000, -0.0019525800000000 ]- atom: 48 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0080501100000000, -0.0000514400000000, -0.0014638700000000 ] - [ -0.0017592700000000, 0.0000685600000000, 0.0000722200000000 ] - [ 0.0022394500000000, 0.0001615900000000, 0.0014513400000000 ] - [ 0.0252518100000000, -0.0084325000000000, -0.0042432900000000 ] - [ 0.0035788500000000, 0.0009582700000000, 0.0055430900000000 ] - [ 0.0018454700000000, 0.0001057800000000, -0.0015132300000000 ] - [ 0.0043660200000000, -0.0009636400000000, -0.0055715800000000 ] - [ -0.0021656000000000, 0.0002003100000000, -0.0000262800000000 ] - [ -0.0054682200000000, -0.0001123600000000, 0.0020958200000000 ] - [ -0.0076655500000000, -0.0002203400000000, 0.0014309000000000 ] - [ 0.0258411200000000, 0.0090792900000000, 0.0047095300000000 ] - [ -0.0046251900000000, 0.0001143700000000, -0.0021105600000000 ] - [ -0.0024230600000000, -0.0006570300000000, 0.0019294100000000 ] - [ -0.0026044300000000, -0.0049254100000000, 0.0055720500000000 ] - [ -0.0047811500000000, -0.0000661700000000, -0.0001889500000000 ] - [ -0.0016512000000000, -0.0003985700000000, 0.0017099700000000 ] - [ 0.0389949400000000, 0.0000297100000000, 0.0000702600000000 ] - [ -0.0040356500000000, 0.0018235400000000, 0.0038312900000000 ] - [ 0.0010518900000000, 0.0000533600000000, -0.0006032700000000 ] - [ -0.0021852000000000, -0.0001940800000000, 0.0000621400000000 ] - [ -0.0027495400000000, 0.0049023800000000, -0.0055720700000000 ] - [ -0.0049375700000000, -0.0000367400000000, 0.0010988200000000 ] - [ 0.0047359000000000, -0.0001921200000000, -0.0000654500000000 ] - [ 0.0018336500000000, 0.0000665800000000, -0.0001985500000000 ] - [ -0.0048503500000000, -0.0002080300000000, -0.0013699000000000 ] - [ -0.0020223900000000, 0.0000620000000000, 0.0001836400000000 ] - [ -0.0040192000000000, -0.0020233200000000, -0.0035213000000000 ] - [ -0.0036530700000000, 0.0001926800000000, -0.0000584200000000 ] - [ 0.0463550800000000, 0.0002736800000000, 0.0001835100000000 ] - [ -0.0015422100000000, 0.0006387100000000, -0.0014498000000000 ] - [ -0.0025985800000000, 0.0006648400000000, -0.0019246500000000 ] - [ 0.0009583600000000, 0.0001923800000000, 0.0003347900000000 ] - [ 0.0027119400000000, 0.0002464500000000, 0.0027824300000000 ] - [ 0.0016289800000000, -0.0003220200000000, 0.0002566300000000 ] - [ 0.0027175800000000, -0.0007205600000000, 0.0000069000000000 ] - [ 0.0034188300000000, -0.0015860700000000, -0.0037815500000000 ] - [ 0.0000706700000000, 0.0002945700000000, 0.0004637400000000 ] - [ 0.0071770800000000, 0.0060101000000000, -0.0300355600000000 ] - [ 0.0002757600000000, 0.0000416200000000, -0.0012906500000000 ] - [ -0.0030230600000000, -0.0001109500000000, 0.0000571300000000 ] - [ 0.0017907700000000, 0.0001287900000000, 0.0008952400000000 ] - [ 0.0036676600000000, 0.0003431700000000, -0.0009130600000000 ] - [ 0.0047841400000000, -0.0020917300000000, 0.0020924000000000 ] - [ 0.0024930500000000, -0.0003405700000000, -0.0025126100000000 ] - [ 0.0020390400000000, -0.0002265700000000, -0.0030560000000000 ] - [ 0.0004752000000000, -0.0002439200000000, 0.0008902600000000 ] - [ 0.0023661900000000, -0.0001094700000000, -0.0000457300000000 ] - [ -0.1405450600000000, -0.0011394300000000, -0.0005970900000000 ] - [ 0.0015862000000000, 0.0001748300000000, 0.0000297300000000 ] - [ 0.0022201200000000, 0.0003157800000000, 0.0033297300000000 ] - [ -0.0012840800000000, -0.0005534600000000, -0.0001395500000000 ] - [ 0.0044234000000000, -0.0001271000000000, -0.0000634600000000 ] - [ 0.0048054500000000, 0.0017846500000000, -0.0021399200000000 ] - [ 0.0000754400000000, 0.0000291800000000, -0.0004580000000000 ] - [ 0.0039803000000000, 0.0000250800000000, 0.0004692800000000 ] - [ 0.0073560200000000, -0.0062399000000000, 0.0300524100000000 ] - [ -0.0026679700000000, 0.0016672200000000, -0.0031058900000000 ] - [ 0.0061471300000000, -0.0010365100000000, 0.0056654700000000 ] - [ -0.0108516900000000, 0.0000851200000000, 0.0000107800000000 ] - [ -0.0002321400000000, -0.0000333700000000, 0.0004492600000000 ] - [ 0.0030132800000000, 0.0001273900000000, 0.0000616100000000 ] - [ 0.0035562800000000, -0.0003630000000000, 0.0008325200000000 ] - [ 0.0036268700000000, 0.0015222300000000, 0.0035404900000000 ] - [ 0.0020780800000000, 0.0004229600000000, -0.0006597500000000 ] - [ 0.0012708700000000, -0.0001298000000000, -0.0000640400000000 ] - [ 0.0029474700000000, 0.0004674100000000, 0.0002413800000000 ] - [ -0.0208878800000000, 0.0000094500000000, -0.0000357300000000 ] - [ -0.0001156200000000, 0.0000469500000000, -0.0005267600000000 ] - [ 0.0063435300000000, 0.0010340900000000, -0.0056813900000000 ] - [ -0.0017247100000000, 0.0006597100000000, 0.0005570100000000 ] - [ 0.0015575400000000, 0.0001172900000000, -0.0011529900000000 ] - [ 0.0005969400000000, 0.0002571100000000, -0.0007989600000000 ] - [ -0.0024433200000000, -0.0014216400000000, 0.0033682900000000 ] - [ 0.0004708800000000, 0.0000469900000000, 0.0010158900000000 ] - [ 0.0030125000000000, 0.0142837500000000, 0.0170277300000000 ] - [ -0.0029026700000000, 0.0001710000000000, -0.0000252200000000 ] - [ 0.0032418300000000, 0.0001105900000000, 0.0000498600000000 ] - [ 0.0033328200000000, -0.0144314200000000, -0.0174968100000000 ] - [ 0.0038857300000000, -0.0001754500000000, -0.0000328100000000 ] - [ -0.0017323700000000, -0.0001268300000000, 0.0000697500000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000683900000000, -0.0003538700000000, 0.0013432400000000 ] - [ 0.0004162800000000, 0.0001064000000000, -0.0004523800000000 ] - [ -0.0002411800000000, 0.0001153200000000, -0.0004289200000000 ] - [ -0.0154031000000000, 0.0095173200000000, 0.0066558500000000 ] - [ -0.0006748000000000, -0.0028694200000000, -0.0016332400000000 ] - [ 0.0002411800000000, 0.0001153200000000, -0.0004289200000000 ] - [ 0.0006748000000000, -0.0028694200000000, -0.0016332400000000 ] - [ -0.0004162800000000, 0.0001064000000000, -0.0004523800000000 ] - [ -0.0000011400000000, 0.0000732600000000, -0.0009310700000000 ] - [ -0.0000683900000000, -0.0003538700000000, 0.0013432400000000 ] - [ 0.0154031000000000, 0.0095173200000000, 0.0066558500000000 ] - [ 0.0000011400000000, 0.0000732600000000, -0.0009310700000000 ] - [ 0.0007388000000000, 0.0006531700000000, -0.0001127300000000 ] - [ -0.0019887000000000, -0.0009777000000000, -0.0008798200000000 ] - [ 0.0000000000000000, -0.0002481600000000, 0.0000585600000000 ] - [ -0.0001282900000000, 0.0001011300000000, -0.0003594800000000 ] - [ 0.0000000000000000, 0.0403225400000000, -0.0098759800000000 ] - [ 0.0068022300000000, 0.0037409500000000, 0.0022024500000000 ] - [ -0.0001976100000000, 0.0001954600000000, -0.0005657900000000 ] - [ 0.0000000000000000, -0.0001201500000000, -0.0001569800000000 ] - [ 0.0019887000000000, -0.0009777000000000, -0.0008798200000000 ] - [ 0.0003267800000000, 0.0001358700000000, 0.0005515900000000 ] - [ 0.0000000000000000, -0.0002555100000000, -0.0002727200000000 ] - [ 0.0000000000000000, 0.0005248700000000, -0.0006444500000000 ] - [ -0.0003267800000000, 0.0001358700000000, 0.0005515900000000 ] - [ 0.0000000000000000, -0.0000123500000000, -0.0003064000000000 ] - [ -0.0068022300000000, 0.0037409500000000, 0.0022024500000000 ] - [ 0.0000000000000000, 0.0001203500000000, 0.0004534500000000 ] - [ 0.0000000000000000, 0.0425809200000000, 0.0108406200000000 ] - [ 0.0001282900000000, 0.0001011300000000, -0.0003594800000000 ] - [ -0.0007388000000000, 0.0006531700000000, -0.0001127300000000 ] - [ 0.0001976100000000, 0.0001954600000000, -0.0005657900000000 ] - [ 0.0027017800000000, -0.0004505700000000, 0.0005176200000000 ] - [ -0.0002864400000000, 0.0000193300000000, 0.0000771000000000 ] - [ -0.0003912500000000, -0.0004219100000000, -0.0003245300000000 ] - [ -0.0008231000000000, 0.0016869400000000, 0.0018152900000000 ] - [ -0.0001980000000000, 0.0001621100000000, 0.0004494200000000 ] - [ 0.0002426600000000, -0.0060338700000000, -0.0009239700000000 ] - [ -0.0004717300000000, 0.0000986700000000, 0.0000120500000000 ] - [ 0.0000000000000000, -0.0003260600000000, 0.0009240100000000 ] - [ 0.0004235800000000, 0.0001293500000000, 0.0001104900000000 ] - [ -0.0008416100000000, -0.0009421900000000, -0.0001413400000000 ] - [ 0.0000229400000000, 0.0020467900000000, -0.0034604700000000 ] - [ -0.0027017800000000, -0.0004505700000000, 0.0005176200000000 ] - [ 0.0002836900000000, 0.0003831900000000, 0.0007254600000000 ] - [ -0.0001954600000000, -0.0000241700000000, 0.0004884700000000 ] - [ 0.0000000000000000, 0.0000891400000000, 0.0003200400000000 ] - [ 0.0000000000000000, -0.1842285200000000, -0.0142611500000000 ] - [ 0.0000000000000000, 0.0001634200000000, 0.0000986000000000 ] - [ -0.0002836900000000, 0.0003831900000000, 0.0007254600000000 ] - [ 0.0002835400000000, 0.0001671400000000, 0.0004447700000000 ] - [ -0.0000226500000000, -0.0002758100000000, -0.0000180900000000 ] - [ -0.0000229400000000, 0.0020467900000000, -0.0034604700000000 ] - [ 0.0001980000000000, 0.0001621100000000, 0.0004494200000000 ] - [ 0.0000226500000000, -0.0002758100000000, -0.0000180900000000 ] - [ -0.0002426600000000, -0.0060338700000000, -0.0009239700000000 ] - [ 0.0003879400000000, -0.0001549700000000, 0.0004175600000000 ] - [ -0.0004485900000000, -0.0013680100000000, -0.0019317500000000 ] - [ 0.0000000000000000, -0.0056203000000000, -0.0130988600000000 ] - [ 0.0001458700000000, -0.0000498700000000, 0.0003219300000000 ] - [ 0.0000000000000000, 0.0002079900000000, -0.0004016300000000 ] - [ 0.0008416100000000, -0.0009421900000000, -0.0001413400000000 ] - [ 0.0008231000000000, 0.0016869400000000, 0.0018152900000000 ] - [ 0.0002864400000000, 0.0000193300000000, 0.0000771000000000 ] - [ 0.0000000000000000, -0.0001882200000000, 0.0003207200000000 ] - [ 0.0003912500000000, -0.0004219100000000, -0.0003245300000000 ] - [ 0.0000000000000000, 0.0602285400000000, -0.0195016300000000 ] - [ -0.0001458700000000, -0.0000498700000000, 0.0003219300000000 ] - [ 0.0004485900000000, -0.0013680100000000, -0.0019317500000000 ] - [ -0.0002835400000000, 0.0001671400000000, 0.0004447700000000 ] - [ -0.0004235800000000, 0.0001293500000000, 0.0001104900000000 ] - [ 0.0001954600000000, -0.0000241700000000, 0.0004884700000000 ] - [ -0.0003879400000000, -0.0001549700000000, 0.0004175600000000 ] - [ 0.0004717300000000, 0.0000986700000000, 0.0000120500000000 ] - [ 0.0174695800000000, 0.0178274500000000, 0.0185894600000000 ] - [ 0.0000000000000000, 0.0002595100000000, -0.0000110300000000 ] - [ 0.0000000000000000, 0.0001304300000000, 0.0001311800000000 ] - [ -0.0174695800000000, 0.0178274500000000, 0.0185894600000000 ] - [ 0.0000000000000000, -0.0000893700000000, -0.0003173000000000 ] - [ 0.0000000000000000, -0.0000140600000000, 0.0005825600000000 ]- atom: 48 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004633700000000, 0.0000908700000000, -0.0013670200000000 ] - [ -0.0000129900000000, 0.0001622300000000, 0.0004918900000000 ] - [ 0.0006333700000000, 0.0001543300000000, 0.0003845000000000 ] - [ 0.0151816200000000, -0.0094086700000000, -0.0063384000000000 ] - [ -0.0001428100000000, 0.0028856000000000, 0.0016289700000000 ] - [ -0.0006333700000000, 0.0001543300000000, 0.0003845000000000 ] - [ 0.0001428100000000, 0.0028856000000000, 0.0016289700000000 ] - [ 0.0000129900000000, 0.0001622300000000, 0.0004918900000000 ] - [ -0.0008651200000000, -0.0000721200000000, 0.0009143100000000 ] - [ 0.0004633700000000, 0.0000908700000000, -0.0013670200000000 ] - [ -0.0151816200000000, -0.0094086700000000, -0.0063384000000000 ] - [ 0.0008651200000000, -0.0000721200000000, 0.0009143100000000 ] - [ -0.0005738000000000, -0.0006561300000000, 0.0001183000000000 ] - [ 0.0021034800000000, 0.0009118500000000, 0.0008769800000000 ] - [ 0.0000000000000000, 0.0001492300000000, -0.0004117100000000 ] - [ 0.0000329100000000, 0.0001163700000000, 0.0006305600000000 ] - [ 0.0000000000000000, -0.0411106900000000, 0.0088368800000000 ] - [ -0.0068689800000000, -0.0039754200000000, -0.0019340700000000 ] - [ 0.0002794500000000, 0.0000279700000000, 0.0002967800000000 ] - [ 0.0000000000000000, -0.0002371700000000, 0.0002790100000000 ] - [ -0.0021034800000000, 0.0009118500000000, 0.0008769800000000 ] - [ -0.0004167400000000, -0.0003521800000000, -0.0008258800000000 ] - [ 0.0000000000000000, -0.0001048400000000, 0.0001510000000000 ] - [ 0.0000000000000000, -0.0004283600000000, 0.0002824400000000 ] - [ 0.0004167400000000, -0.0003521800000000, -0.0008258800000000 ] - [ 0.0000000000000000, 0.0001044600000000, 0.0006513100000000 ] - [ 0.0068689800000000, -0.0039754200000000, -0.0019340700000000 ] - [ 0.0000000000000000, 0.0002326200000000, -0.0005649500000000 ] - [ 0.0000000000000000, -0.0427263900000000, -0.0093249000000000 ] - [ -0.0000329100000000, 0.0001163700000000, 0.0006305600000000 ] - [ 0.0005738000000000, -0.0006561300000000, 0.0001183000000000 ] - [ -0.0002794500000000, 0.0000279700000000, 0.0002967800000000 ] - [ -0.0025131300000000, 0.0003689400000000, -0.0002454200000000 ] - [ -0.0001528500000000, 0.0000516900000000, -0.0004848700000000 ] - [ 0.0001472400000000, 0.0001386100000000, 0.0005815300000000 ] - [ 0.0006220400000000, -0.0017376700000000, -0.0020742800000000 ] - [ 0.0001949300000000, 0.0001696100000000, -0.0004483200000000 ] - [ -0.0003488700000000, 0.0057626000000000, 0.0004688200000000 ] - [ 0.0002709500000000, -0.0000187900000000, -0.0002934500000000 ] - [ 0.0000000000000000, 0.0000667700000000, -0.0007890800000000 ] - [ -0.0001784700000000, 0.0001497000000000, -0.0003734900000000 ] - [ 0.0009324100000000, 0.0009541600000000, 0.0000546300000000 ] - [ -0.0000260300000000, -0.0023528000000000, 0.0034398500000000 ] - [ 0.0025131300000000, 0.0003689400000000, -0.0002454200000000 ] - [ -0.0004630400000000, -0.0003020200000000, -0.0004516000000000 ] - [ 0.0000853100000000, -0.0000084000000000, -0.0003937700000000 ] - [ 0.0000000000000000, -0.0003417300000000, -0.0004374500000000 ] - [ 0.0000000000000000, 0.1856371500000000, 0.0136240300000000 ] - [ 0.0000000000000000, 0.0002494900000000, -0.0000893500000000 ] - [ 0.0004630400000000, -0.0003020200000000, -0.0004516000000000 ] - [ 0.0001469500000000, -0.0000916100000000, -0.0000299000000000 ] - [ 0.0004552500000000, 0.0002003400000000, 0.0004264400000000 ] - [ 0.0000260300000000, -0.0023528000000000, 0.0034398500000000 ] - [ -0.0001949300000000, 0.0001696100000000, -0.0004483200000000 ] - [ -0.0004552500000000, 0.0002003400000000, 0.0004264400000000 ] - [ 0.0003488700000000, 0.0057626000000000, 0.0004688200000000 ] - [ -0.0006349800000000, 0.0004461300000000, -0.0001503600000000 ] - [ 0.0003596400000000, 0.0013845200000000, 0.0020095300000000 ] - [ 0.0000000000000000, 0.0057631600000000, 0.0131548800000000 ] - [ -0.0002529100000000, 0.0000149100000000, -0.0004106400000000 ] - [ 0.0000000000000000, 0.0000308100000000, 0.0005391900000000 ] - [ -0.0009324100000000, 0.0009541600000000, 0.0000546300000000 ] - [ -0.0006220400000000, -0.0017376700000000, -0.0020742800000000 ] - [ 0.0001528500000000, 0.0000516900000000, -0.0004848700000000 ] - [ 0.0000000000000000, -0.0000500100000000, -0.0004662000000000 ] - [ -0.0001472400000000, 0.0001386100000000, 0.0005815300000000 ] - [ 0.0000000000000000, -0.0610522700000000, 0.0202455500000000 ] - [ 0.0002529100000000, 0.0000149100000000, -0.0004106400000000 ] - [ -0.0003596400000000, 0.0013845200000000, 0.0020095300000000 ] - [ -0.0001469500000000, -0.0000916100000000, -0.0000299000000000 ] - [ 0.0001784700000000, 0.0001497000000000, -0.0003734900000000 ] - [ -0.0000853100000000, -0.0000084000000000, -0.0003937700000000 ] - [ 0.0006349800000000, 0.0004461300000000, -0.0001503600000000 ] - [ -0.0002709500000000, -0.0000187900000000, -0.0002934500000000 ] - [ -0.0181038800000000, -0.0179709300000000, -0.0192745000000000 ] - [ 0.0000000000000000, 0.0001413400000000, -0.0000001600000000 ] - [ 0.0000000000000000, 0.0001296500000000, 0.0000004100000000 ] - [ 0.0181038800000000, -0.0179709300000000, -0.0192745000000000 ] - [ 0.0000000000000000, -0.0003185600000000, 0.0003020200000000 ] - [ 0.0000000000000000, -0.0002220300000000, -0.0004371700000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0015841400000000, 0.0001534800000000, 0.0043055700000000 ] - [ 0.0009247700000000, 0.0000002200000000, -0.0030774700000000 ] - [ 0.0014611000000000, 0.0003887500000000, -0.0075170700000000 ] - [ 0.0037946800000000, 0.0012942500000000, 0.0281194000000000 ] - [ 0.0119040000000000, 0.0029620500000000, -0.0082540500000000 ] - [ -0.0014611000000000, 0.0003887500000000, -0.0075170700000000 ] - [ -0.0119040000000000, 0.0029620500000000, -0.0082540500000000 ] - [ -0.0009247700000000, 0.0000002200000000, -0.0030774700000000 ] - [ 0.0021539400000000, -0.0002041800000000, -0.0006671700000000 ] - [ 0.0015841400000000, 0.0001534800000000, 0.0043055700000000 ] - [ -0.0037946800000000, 0.0012942500000000, 0.0281194000000000 ] - [ -0.0021539400000000, -0.0002041800000000, -0.0006671700000000 ] - [ 0.0025646100000000, 0.0007185100000000, -0.0009876900000000 ] - [ 0.0099126900000000, 0.0096619600000000, -0.0080719700000000 ] - [ 0.0000000000000000, -0.0004623600000000, 0.0015720800000000 ] - [ 0.0010285100000000, 0.0009541300000000, -0.0037141900000000 ] - [ 0.0000000000000000, -0.0061605900000000, 0.0258594600000000 ] - [ 0.0110827100000000, 0.0012133100000000, 0.0051517600000000 ] - [ -0.0022641200000000, 0.0002153600000000, -0.0030996700000000 ] - [ 0.0000000000000000, 0.0000377900000000, -0.0014799700000000 ] - [ -0.0099126900000000, 0.0096619600000000, -0.0080719700000000 ] - [ 0.0021687600000000, 0.0004625000000000, 0.0038418000000000 ] - [ 0.0000000000000000, -0.0000536500000000, -0.0063518000000000 ] - [ 0.0000000000000000, -0.0001217700000000, -0.0082216000000000 ] - [ -0.0021687600000000, 0.0004625000000000, 0.0038418000000000 ] - [ 0.0000000000000000, 0.0005264400000000, -0.0014636800000000 ] - [ -0.0110827100000000, 0.0012133100000000, 0.0051517600000000 ] - [ 0.0000000000000000, 0.0000732300000000, 0.0017553600000000 ] - [ 0.0000000000000000, 0.0050429800000000, 0.0428758500000000 ] - [ -0.0010285100000000, 0.0009541300000000, -0.0037141900000000 ] - [ -0.0025646100000000, 0.0007185100000000, -0.0009876900000000 ] - [ 0.0022641200000000, 0.0002153600000000, -0.0030996700000000 ] - [ 0.0047620100000000, -0.0011453400000000, -0.0000049000000000 ] - [ 0.0005419300000000, -0.0000482800000000, 0.0011850500000000 ] - [ -0.0013694700000000, -0.0006398300000000, -0.0007990100000000 ] - [ -0.0046018000000000, -0.0019592800000000, -0.0014441500000000 ] - [ -0.0008641400000000, -0.0003027400000000, 0.0037490500000000 ] - [ -0.0340472600000000, -0.0091607000000000, 0.0399904100000000 ] - [ -0.0018486000000000, 0.0007161500000000, 0.0013613400000000 ] - [ 0.0000000000000000, -0.0020041000000000, 0.0053091600000000 ] - [ 0.0011873700000000, 0.0004765400000000, 0.0011100900000000 ] - [ -0.0024781400000000, -0.0000975000000000, -0.0022502400000000 ] - [ 0.0003743400000000, 0.0027929100000000, -0.0075299500000000 ] - [ -0.0047620100000000, -0.0011453400000000, -0.0000049000000000 ] - [ -0.0047847300000000, -0.0003083400000000, 0.0049846600000000 ] - [ 0.0004983800000000, -0.0003744300000000, 0.0020592400000000 ] - [ 0.0000000000000000, 0.0004457400000000, 0.0008765500000000 ] - [ 0.0000000000000000, -0.0108060600000000, -0.2645627000000000 ] - [ 0.0000000000000000, -0.0000398400000000, 0.0007264400000000 ] - [ 0.0047847300000000, -0.0003083400000000, 0.0049846600000000 ] - [ -0.0014662500000000, 0.0006156100000000, 0.0047391100000000 ] - [ -0.0005365400000000, -0.0002371500000000, -0.0012326300000000 ] - [ -0.0003743400000000, 0.0027929100000000, -0.0075299500000000 ] - [ 0.0008641400000000, -0.0003027400000000, 0.0037490500000000 ] - [ 0.0005365400000000, -0.0002371500000000, -0.0012326300000000 ] - [ 0.0340472600000000, -0.0091607000000000, 0.0399904100000000 ] - [ 0.0001772900000000, -0.0023229700000000, 0.0056103000000000 ] - [ 0.0059542300000000, -0.0017373400000000, -0.0038177100000000 ] - [ 0.0000000000000000, -0.0121049300000000, 0.0627573800000000 ] - [ 0.0012748000000000, -0.0001881800000000, 0.0034804600000000 ] - [ 0.0000000000000000, 0.0005929000000000, -0.0020318300000000 ] - [ 0.0024781400000000, -0.0000975000000000, -0.0022502400000000 ] - [ 0.0046018000000000, -0.0019592800000000, -0.0014441500000000 ] - [ -0.0005419300000000, -0.0000482800000000, 0.0011850500000000 ] - [ 0.0000000000000000, -0.0005176000000000, 0.0018069500000000 ] - [ 0.0013694700000000, -0.0006398300000000, -0.0007990100000000 ] - [ 0.0000000000000000, -0.0215805100000000, 0.0013258700000000 ] - [ -0.0012748000000000, -0.0001881800000000, 0.0034804600000000 ] - [ -0.0059542300000000, -0.0017373400000000, -0.0038177100000000 ] - [ 0.0014662500000000, 0.0006156100000000, 0.0047391100000000 ] - [ -0.0011873700000000, 0.0004765400000000, 0.0011100900000000 ] - [ -0.0004983800000000, -0.0003744300000000, 0.0020592400000000 ] - [ -0.0001772900000000, -0.0023229700000000, 0.0056103000000000 ] - [ 0.0018486000000000, 0.0007161500000000, 0.0013613400000000 ] - [ 0.0195869700000000, 0.0191872300000000, 0.0082428800000000 ] - [ 0.0000000000000000, 0.0010924600000000, 0.0035982300000000 ] - [ 0.0000000000000000, -0.0004051000000000, -0.0007141000000000 ] - [ -0.0195869700000000, 0.0191872300000000, 0.0082428800000000 ] - [ 0.0000000000000000, -0.0001150600000000, -0.0006530500000000 ] - [ 0.0000000000000000, 0.0003866100000000, 0.0060888600000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0011724300000000, -0.0004231400000000, -0.0043541700000000 ] - [ -0.0005258600000000, 0.0002693000000000, 0.0031158400000000 ] - [ -0.0010503400000000, -0.0001232700000000, 0.0074645800000000 ] - [ -0.0033623300000000, -0.0016722200000000, -0.0281405500000000 ] - [ -0.0127825800000000, -0.0029795000000000, 0.0082226900000000 ] - [ 0.0010503400000000, -0.0001232700000000, 0.0074645800000000 ] - [ 0.0127825800000000, -0.0029795000000000, 0.0082226900000000 ] - [ 0.0005258600000000, 0.0002693000000000, 0.0031158400000000 ] - [ -0.0030141600000000, 0.0002019800000000, 0.0006842000000000 ] - [ -0.0011724300000000, -0.0004231400000000, -0.0043541700000000 ] - [ 0.0033623300000000, -0.0016722200000000, -0.0281405500000000 ] - [ 0.0030141600000000, 0.0002019800000000, 0.0006842000000000 ] - [ -0.0023993600000000, -0.0007166400000000, 0.0009764000000000 ] - [ -0.0097511600000000, -0.0096204100000000, 0.0080880200000000 ] - [ 0.0000000000000000, 0.0003534900000000, -0.0019316300000000 ] - [ -0.0011234200000000, -0.0007203400000000, 0.0039815600000000 ] - [ 0.0000000000000000, 0.0034269800000000, -0.0305114200000000 ] - [ -0.0111721800000000, -0.0014521900000000, -0.0048908600000000 ] - [ 0.0023682400000000, 0.0000150600000000, 0.0028282000000000 ] - [ 0.0000000000000000, -0.0004035600000000, 0.0016007200000000 ] - [ 0.0097511600000000, -0.0096204100000000, 0.0080880200000000 ] - [ -0.0022672700000000, -0.0006919400000000, -0.0041056200000000 ] - [ 0.0000000000000000, -0.0003066900000000, 0.0062201200000000 ] - [ 0.0000000000000000, 0.0002401300000000, 0.0078608800000000 ] - [ 0.0022672700000000, -0.0006919400000000, -0.0041056200000000 ] - [ 0.0000000000000000, -0.0004128200000000, 0.0018246000000000 ] - [ 0.0111721800000000, -0.0014521900000000, -0.0048908600000000 ] - [ 0.0000000000000000, 0.0002907400000000, -0.0018785600000000 ] - [ 0.0000000000000000, -0.0073328300000000, -0.0373821000000000 ] - [ 0.0011234200000000, -0.0007203400000000, 0.0039815600000000 ] - [ 0.0023993600000000, -0.0007166400000000, 0.0009764000000000 ] - [ -0.0023682400000000, 0.0000150600000000, 0.0028282000000000 ] - [ -0.0045659500000000, 0.0010623800000000, 0.0002938700000000 ] - [ -0.0009637300000000, 0.0001404300000000, -0.0015933200000000 ] - [ 0.0011422400000000, 0.0003759600000000, 0.0010604300000000 ] - [ 0.0043999100000000, 0.0018328900000000, 0.0011276100000000 ] - [ 0.0008695200000000, 0.0006279700000000, -0.0037480800000000 ] - [ 0.0332506500000000, 0.0087477600000000, -0.0395311400000000 ] - [ 0.0016588700000000, -0.0006282500000000, -0.0016331300000000 ] - [ 0.0000000000000000, 0.0017833400000000, -0.0051941800000000 ] - [ -0.0009551200000000, -0.0002139400000000, -0.0013626500000000 ] - [ 0.0025978300000000, 0.0001295700000000, 0.0021554300000000 ] - [ -0.0003749900000000, -0.0031169300000000, 0.0075436700000000 ] - [ 0.0045659500000000, 0.0010623800000000, 0.0002938700000000 ] - [ 0.0045597700000000, 0.0003886200000000, -0.0046922300000000 ] - [ -0.0006034600000000, 0.0003526500000000, -0.0019740000000000 ] - [ 0.0000000000000000, -0.0006771000000000, -0.0009860900000000 ] - [ 0.0000000000000000, 0.0170661500000000, 0.2641220500000000 ] - [ 0.0000000000000000, 0.0004084800000000, -0.0006938400000000 ] - [ -0.0045597700000000, 0.0003886200000000, -0.0046922300000000 ] - [ 0.0019026400000000, -0.0005219300000000, -0.0043368400000000 ] - [ 0.0009668700000000, 0.0001501200000000, 0.0016359000000000 ] - [ 0.0003749900000000, -0.0031169300000000, 0.0075436700000000 ] - [ -0.0008695200000000, 0.0006279700000000, -0.0037480800000000 ] - [ -0.0009668700000000, 0.0001501200000000, 0.0016359000000000 ] - [ -0.0332506500000000, 0.0087477600000000, -0.0395311400000000 ] - [ -0.0004110200000000, 0.0025834100000000, -0.0053538900000000 ] - [ -0.0060821600000000, 0.0017567300000000, 0.0039204200000000 ] - [ 0.0000000000000000, 0.0124624500000000, -0.0640903900000000 ] - [ -0.0013931700000000, 0.0001699700000000, -0.0035692000000000 ] - [ 0.0000000000000000, -0.0003494400000000, 0.0021748200000000 ] - [ -0.0025978300000000, 0.0001295700000000, 0.0021554300000000 ] - [ -0.0043999100000000, 0.0018328900000000, 0.0011276100000000 ] - [ 0.0009637300000000, 0.0001404300000000, -0.0015933200000000 ] - [ 0.0000000000000000, 0.0002710000000000, -0.0019537900000000 ] - [ -0.0011422400000000, 0.0003759600000000, 0.0010604300000000 ] - [ 0.0000000000000000, 0.0211960200000000, -0.0014261100000000 ] - [ 0.0013931700000000, 0.0001699700000000, -0.0035692000000000 ] - [ 0.0060821600000000, 0.0017567300000000, 0.0039204200000000 ] - [ -0.0019026400000000, -0.0005219300000000, -0.0043368400000000 ] - [ 0.0009551200000000, -0.0002139400000000, -0.0013626500000000 ] - [ 0.0006034600000000, 0.0003526500000000, -0.0019740000000000 ] - [ 0.0004110200000000, 0.0025834100000000, -0.0053538900000000 ] - [ -0.0016588700000000, -0.0006282500000000, -0.0016331300000000 ] - [ -0.0201158300000000, -0.0194378200000000, -0.0086247200000000 ] - [ 0.0000000000000000, -0.0007286100000000, -0.0036245200000000 ] - [ 0.0000000000000000, 0.0006293400000000, 0.0008149000000000 ] - [ 0.0201158300000000, -0.0194378200000000, -0.0086247200000000 ] - [ 0.0000000000000000, -0.0002581500000000, 0.0006224200000000 ] - [ 0.0000000000000000, -0.0006314900000000, -0.0059447200000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0024059000000000, -0.0006748600000000, -0.0032581900000000 ] - [ 0.0448656300000000, -0.0245438100000000, 0.0083416600000000 ] - [ -0.0088019000000000, 0.0002973300000000, 0.0034398900000000 ] - [ -0.0022317400000000, -0.0000448100000000, -0.0003987500000000 ] - [ -0.0083058300000000, 0.0001342000000000, 0.0036021400000000 ] - [ -0.0091725400000000, -0.0000336800000000, -0.0034650600000000 ] - [ -0.0074406200000000, -0.0001384700000000, -0.0036340700000000 ] - [ 0.0462912600000000, 0.0263310900000000, -0.0092365000000000 ] - [ 0.0038040600000000, 0.0000463900000000, 0.0040536800000000 ] - [ 0.0027734400000000, 0.0004203400000000, 0.0032492400000000 ] - [ -0.0026342500000000, -0.0002196500000000, 0.0004475600000000 ] - [ 0.0046363000000000, -0.0000391700000000, -0.0040343300000000 ] - [ -0.0041676900000000, 0.0008314600000000, 0.0115835200000000 ] - [ -0.0024190800000000, 0.0004861600000000, 0.0018243000000000 ] - [ 0.0019988000000000, -0.0000475800000000, -0.0001658800000000 ] - [ 0.0000269600000000, -0.0024595500000000, 0.0040190400000000 ] - [ -0.0028527000000000, -0.0000443000000000, 0.0001701500000000 ] - [ -0.0023809300000000, 0.0002645100000000, 0.0024946000000000 ] - [ -0.0062237400000000, -0.0015594900000000, 0.0005937300000000 ] - [ 0.0607028400000000, 0.0001270200000000, 0.0000103900000000 ] - [ -0.0025866000000000, -0.0004884600000000, -0.0018052000000000 ] - [ 0.0011714800000000, -0.0002010900000000, -0.0000916400000000 ] - [ -0.0038215800000000, -0.0001761600000000, -0.0000604100000000 ] - [ -0.0071136600000000, 0.0000498700000000, -0.0001770500000000 ] - [ 0.0012456700000000, -0.0000200900000000, -0.0001744300000000 ] - [ 0.0108626400000000, 0.0000627300000000, 0.0001130800000000 ] - [ -0.0022789400000000, -0.0004797000000000, -0.0022135600000000 ] - [ 0.0094173000000000, 0.0001695700000000, -0.0000352900000000 ] - [ -0.0023329300000000, 0.0001781700000000, 0.0000661700000000 ] - [ 0.0000729200000000, 0.0026484400000000, -0.0037124500000000 ] - [ -0.0042042400000000, -0.0007847500000000, -0.0115685700000000 ] - [ -0.0063000700000000, 0.0017793200000000, -0.0008836200000000 ] - [ 0.0023354200000000, -0.0004277400000000, 0.0038710700000000 ] - [ -0.0038848300000000, 0.0025430700000000, 0.0057825900000000 ] - [ -0.0034178700000000, -0.0000099400000000, -0.0075332500000000 ] - [ 0.0001954400000000, -0.0001190900000000, -0.0011730200000000 ] - [ 0.0041899300000000, 0.0015039000000000, 0.0027529000000000 ] - [ 0.0015919600000000, -0.0001918500000000, -0.0010713100000000 ] - [ 0.0065418900000000, 0.0011425300000000, -0.0028999900000000 ] - [ 0.0051796400000000, -0.0001172400000000, 0.0000643600000000 ] - [ 0.0023361900000000, -0.0210577400000000, 0.0122533200000000 ] - [ -0.0002142700000000, 0.0000192200000000, -0.0002058400000000 ] - [ 0.0001644600000000, -0.0003208600000000, 0.0010309200000000 ] - [ 0.0021808000000000, 0.0003539100000000, -0.0035960200000000 ] - [ 0.0015708000000000, 0.0008585900000000, -0.0024641800000000 ] - [ 0.0020584900000000, -0.0031681100000000, 0.0092550300000000 ] - [ -0.0045697500000000, -0.0001118000000000, -0.0000396700000000 ] - [ 0.0015871700000000, 0.0001125700000000, -0.0000693100000000 ] - [ -0.1574320700000000, -0.0019173000000000, 0.0008160900000000 ] - [ 0.0017756600000000, -0.0007833300000000, 0.0027331500000000 ] - [ 0.0064096300000000, -0.0002133200000000, 0.0004048500000000 ] - [ -0.0013903700000000, 0.0004863200000000, 0.0000568100000000 ] - [ 0.0001766200000000, -0.0000062800000000, -0.0010357600000000 ] - [ 0.0042011500000000, -0.0011972500000000, -0.0027724300000000 ] - [ -0.0018279100000000, -0.0005443700000000, 0.0003421300000000 ] - [ 0.0018410500000000, -0.0000998200000000, 0.0008064700000000 ] - [ 0.0026278400000000, 0.0009144400000000, -0.0000861400000000 ] - [ 0.0008315900000000, 0.0003789200000000, 0.0015504200000000 ] - [ 0.0035678000000000, 0.0001111600000000, -0.0000553500000000 ] - [ 0.0089790200000000, 0.0019102400000000, 0.0020781300000000 ] - [ -0.0029027400000000, 0.0001139200000000, 0.0000593600000000 ] - [ -0.0003156100000000, 0.0000198800000000, 0.0001047900000000 ] - [ 0.0004017700000000, 0.0000504700000000, 0.0008751300000000 ] - [ -0.0034971500000000, -0.0024839400000000, -0.0061869100000000 ] - [ -0.0208895400000000, 0.0001588000000000, 0.0000267300000000 ] - [ -0.0032120000000000, -0.0002868800000000, 0.0077589500000000 ] - [ 0.0018836400000000, -0.0002020300000000, 0.0000035300000000 ] - [ 0.0090531000000000, -0.0019342700000000, -0.0021446600000000 ] - [ 0.0009541800000000, -0.0003469300000000, -0.0014533100000000 ] - [ 0.0059715200000000, 0.0002791800000000, 0.0000048200000000 ] - [ 0.0022830900000000, 0.0213292800000000, -0.0123775900000000 ] - [ 0.0021825400000000, 0.0031676700000000, -0.0092611900000000 ] - [ 0.0028779600000000, -0.0006174100000000, 0.0003385100000000 ] - [ 0.0067766800000000, -0.0011055100000000, 0.0026696100000000 ] - [ 0.0022646300000000, 0.0004750300000000, 0.0004964700000000 ] - [ 0.0044937100000000, 0.0001933700000000, -0.0000089900000000 ] - [ -0.0028978000000000, 0.0001116100000000, 0.0000564400000000 ] - [ 0.0027216700000000, -0.0005327900000000, -0.0009012500000000 ] - [ -0.0046465900000000, -0.0001974800000000, -0.0000172600000000 ] - [ 0.0038853600000000, -0.0001117900000000, 0.0000666900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006673900000000, -0.0002252100000000, 0.0014249600000000 ] - [ -0.0269043400000000, 0.0116063000000000, -0.0158904300000000 ] - [ -0.0011583300000000, 0.0003952800000000, 0.0007012100000000 ] - [ 0.0005894500000000, -0.0001775600000000, 0.0006911900000000 ] - [ -0.0013319500000000, 0.0002025700000000, -0.0018157700000000 ] - [ 0.0011583300000000, 0.0003952800000000, 0.0007012100000000 ] - [ 0.0013319500000000, 0.0002025700000000, -0.0018157700000000 ] - [ 0.0269043400000000, 0.0116063000000000, -0.0158904300000000 ] - [ 0.0008111700000000, 0.0001458400000000, 0.0012863200000000 ] - [ -0.0006673900000000, -0.0002252100000000, 0.0014249600000000 ] - [ -0.0005894500000000, -0.0001775600000000, 0.0006911900000000 ] - [ -0.0008111700000000, 0.0001458400000000, 0.0012863200000000 ] - [ -0.0067290400000000, 0.0060899400000000, 0.0046118900000000 ] - [ 0.0000167000000000, 0.0000027300000000, 0.0009724400000000 ] - [ 0.0000000000000000, -0.0000483600000000, 0.0006747100000000 ] - [ 0.0010619000000000, -0.0015321400000000, 0.0001505600000000 ] - [ 0.0000000000000000, 0.0003901100000000, -0.0000058300000000 ] - [ -0.0007932700000000, 0.0003462700000000, 0.0008643100000000 ] - [ 0.0013797800000000, -0.0015662800000000, -0.0015419600000000 ] - [ 0.0000000000000000, 0.1807543300000000, -0.0222493600000000 ] - [ -0.0000167000000000, 0.0000027300000000, 0.0009724400000000 ] - [ 0.0003025200000000, -0.0001348700000000, 0.0005363400000000 ] - [ 0.0000000000000000, -0.0000539100000000, 0.0001671200000000 ] - [ 0.0000000000000000, 0.0001703700000000, -0.0005566900000000 ] - [ -0.0003025200000000, -0.0001348700000000, 0.0005363400000000 ] - [ 0.0000000000000000, 0.0044817000000000, -0.0051039900000000 ] - [ 0.0007932700000000, 0.0003462700000000, 0.0008643100000000 ] - [ 0.0000000000000000, 0.0003348100000000, 0.0017763300000000 ] - [ 0.0000000000000000, 0.0002621000000000, 0.0004640200000000 ] - [ -0.0010619000000000, -0.0015321400000000, 0.0001505600000000 ] - [ 0.0067290400000000, 0.0060899400000000, 0.0046118900000000 ] - [ -0.0013797800000000, -0.0015662800000000, -0.0015419600000000 ] - [ -0.0024413700000000, -0.0005336400000000, -0.0014264800000000 ] - [ 0.0007336900000000, -0.0011045000000000, 0.0003537100000000 ] - [ 0.0002785200000000, -0.0015242300000000, -0.0013048800000000 ] - [ -0.0003585300000000, -0.0000355800000000, -0.0009039900000000 ] - [ -0.0002574200000000, -0.0010627700000000, 0.0000845900000000 ] - [ -0.0000415400000000, -0.0000375800000000, -0.0006114900000000 ] - [ 0.0016612700000000, -0.0015818700000000, 0.0015503400000000 ] - [ 0.0000000000000000, -0.0004726400000000, 0.0008126700000000 ] - [ -0.0246664100000000, 0.0406938000000000, -0.0105590400000000 ] - [ -0.0001440300000000, 0.0000598600000000, -0.0005739000000000 ] - [ -0.0002758000000000, -0.0002599400000000, -0.0006770100000000 ] - [ 0.0024413700000000, -0.0005336400000000, -0.0014264800000000 ] - [ -0.0000219100000000, 0.0004020800000000, -0.0005436900000000 ] - [ -0.0001555800000000, 0.0024226700000000, -0.0038286000000000 ] - [ 0.0000000000000000, -0.0002218100000000, 0.0023295800000000 ] - [ 0.0000000000000000, 0.0000678500000000, -0.0002869500000000 ] - [ 0.0000000000000000, -0.3581880400000000, 0.0505308500000000 ] - [ 0.0000219100000000, 0.0004020800000000, -0.0005436900000000 ] - [ 0.0000139900000000, 0.0005936500000000, 0.0005938800000000 ] - [ -0.0000176500000000, -0.0000274000000000, -0.0002163000000000 ] - [ 0.0002758000000000, -0.0002599400000000, -0.0006770100000000 ] - [ 0.0002574200000000, -0.0010627700000000, 0.0000845900000000 ] - [ 0.0000176500000000, -0.0000274000000000, -0.0002163000000000 ] - [ 0.0000415400000000, -0.0000375800000000, -0.0006114900000000 ] - [ -0.0001401400000000, 0.0002929200000000, -0.0003313000000000 ] - [ -0.0006043900000000, -0.0002106500000000, -0.0000341100000000 ] - [ 0.0000000000000000, -0.0000595400000000, 0.0002873500000000 ] - [ 0.0031194000000000, 0.0030856000000000, 0.0031558300000000 ] - [ 0.0000000000000000, 0.0001694500000000, -0.0008491900000000 ] - [ 0.0001440300000000, 0.0000598600000000, -0.0005739000000000 ] - [ 0.0003585300000000, -0.0000355800000000, -0.0009039900000000 ] - [ -0.0007336900000000, -0.0011045000000000, 0.0003537100000000 ] - [ 0.0000000000000000, 0.0602461600000000, 0.0209153400000000 ] - [ -0.0002785200000000, -0.0015242300000000, -0.0013048800000000 ] - [ 0.0000000000000000, -0.0003526300000000, -0.0002583000000000 ] - [ -0.0031194000000000, 0.0030856000000000, 0.0031558300000000 ] - [ 0.0006043900000000, -0.0002106500000000, -0.0000341100000000 ] - [ -0.0000139900000000, 0.0005936500000000, 0.0005938800000000 ] - [ 0.0246664100000000, 0.0406938000000000, -0.0105590400000000 ] - [ 0.0001555800000000, 0.0024226700000000, -0.0038286000000000 ] - [ 0.0001401400000000, 0.0002929200000000, -0.0003313000000000 ] - [ -0.0016612700000000, -0.0015818700000000, 0.0015503400000000 ] - [ -0.0007917800000000, -0.0000103600000000, -0.0002481700000000 ] - [ 0.0000000000000000, 0.0000203200000000, -0.0002165200000000 ] - [ 0.0000000000000000, -0.0002583600000000, -0.0004580300000000 ] - [ 0.0007917800000000, -0.0000103600000000, -0.0002481700000000 ] - [ 0.0000000000000000, 0.0001219200000000, -0.0010469500000000 ] - [ 0.0000000000000000, 0.0000063300000000, 0.0001329200000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010642600000000, -0.0000301700000000, -0.0014664800000000 ] - [ 0.0264262800000000, -0.0110571100000000, 0.0155743400000000 ] - [ 0.0015499700000000, -0.0001286700000000, -0.0007410900000000 ] - [ -0.0001884300000000, -0.0000908600000000, -0.0006485000000000 ] - [ 0.0004714600000000, -0.0001995500000000, 0.0018174100000000 ] - [ -0.0015499700000000, -0.0001286700000000, -0.0007410900000000 ] - [ -0.0004714600000000, -0.0001995500000000, 0.0018174100000000 ] - [ -0.0264262800000000, -0.0110571100000000, 0.0155743400000000 ] - [ -0.0016822900000000, -0.0001314500000000, -0.0012857400000000 ] - [ 0.0010642600000000, -0.0000301700000000, -0.0014664800000000 ] - [ 0.0001884300000000, -0.0000908600000000, -0.0006485000000000 ] - [ 0.0016822900000000, -0.0001314500000000, -0.0012857400000000 ] - [ 0.0069006600000000, -0.0061926300000000, -0.0046463200000000 ] - [ 0.0001508600000000, -0.0000059200000000, -0.0009717200000000 ] - [ 0.0000000000000000, -0.0000573600000000, -0.0010243900000000 ] - [ -0.0011263900000000, 0.0017428200000000, 0.0001361600000000 ] - [ 0.0000000000000000, -0.0004957400000000, 0.0003561300000000 ] - [ 0.0007006300000000, -0.0005753900000000, -0.0005997200000000 ] - [ -0.0012918000000000, 0.0017863200000000, 0.0012661800000000 ] - [ 0.0000000000000000, -0.1980990000000000, 0.0247602600000000 ] - [ -0.0001508600000000, -0.0000059200000000, -0.0009717200000000 ] - [ -0.0003909600000000, -0.0000887000000000, -0.0008078200000000 ] - [ 0.0000000000000000, -0.0003062500000000, -0.0002952700000000 ] - [ 0.0000000000000000, -0.0000668800000000, 0.0002048800000000 ] - [ 0.0003909600000000, -0.0000887000000000, -0.0008078200000000 ] - [ 0.0000000000000000, -0.0045162000000000, 0.0055237300000000 ] - [ -0.0007006300000000, -0.0005753900000000, -0.0005997200000000 ] - [ 0.0000000000000000, 0.0000041500000000, -0.0018937500000000 ] - [ 0.0000000000000000, 0.0000982900000000, -0.0003353800000000 ] - [ 0.0011263900000000, 0.0017428200000000, 0.0001361600000000 ] - [ -0.0069006600000000, -0.0061926300000000, -0.0046463200000000 ] - [ 0.0012918000000000, 0.0017863200000000, 0.0012661800000000 ] - [ 0.0026528700000000, 0.0004678500000000, 0.0017314500000000 ] - [ -0.0011343500000000, 0.0012098700000000, -0.0007083100000000 ] - [ -0.0004857600000000, 0.0012747700000000, 0.0015181300000000 ] - [ 0.0001592900000000, -0.0000362300000000, 0.0006260400000000 ] - [ 0.0002581200000000, 0.0013515700000000, -0.0000951900000000 ] - [ -0.0001975100000000, -0.0002381000000000, 0.0003667400000000 ] - [ -0.0018449800000000, 0.0016736200000000, -0.0018219400000000 ] - [ 0.0000000000000000, 0.0002313400000000, -0.0006883600000000 ] - [ 0.0254025300000000, -0.0407986800000000, 0.0106032300000000 ] - [ 0.0002492600000000, -0.0000324000000000, 0.0004884900000000 ] - [ 0.0002707600000000, -0.0000512500000000, 0.0006842100000000 ] - [ -0.0026528700000000, 0.0004678500000000, 0.0017314500000000 ] - [ -0.0001802200000000, -0.0003308700000000, 0.0008194400000000 ] - [ 0.0000537400000000, -0.0024375600000000, 0.0039142700000000 ] - [ 0.0000000000000000, -0.0000178700000000, -0.0025075700000000 ] - [ 0.0000000000000000, 0.0001576000000000, 0.0001407800000000 ] - [ 0.0000000000000000, 0.3765030100000000, -0.0519906000000000 ] - [ 0.0001802200000000, -0.0003308700000000, 0.0008194400000000 ] - [ 0.0004202500000000, -0.0005267600000000, -0.0001854000000000 ] - [ 0.0004499300000000, -0.0000354500000000, 0.0006199100000000 ] - [ -0.0002707600000000, -0.0000512500000000, 0.0006842100000000 ] - [ -0.0002581200000000, 0.0013515700000000, -0.0000951900000000 ] - [ -0.0004499300000000, -0.0000354500000000, 0.0006199100000000 ] - [ 0.0001975100000000, -0.0002381000000000, 0.0003667400000000 ] - [ -0.0000979100000000, -0.0000177300000000, 0.0005781700000000 ] - [ 0.0004946200000000, 0.0002382800000000, 0.0001219800000000 ] - [ 0.0000000000000000, 0.0002984800000000, -0.0004088900000000 ] - [ -0.0032316200000000, -0.0030955100000000, -0.0032429700000000 ] - [ 0.0000000000000000, 0.0000545100000000, 0.0009912000000000 ] - [ -0.0002492600000000, -0.0000324000000000, 0.0004884900000000 ] - [ -0.0001592900000000, -0.0000362300000000, 0.0006260400000000 ] - [ 0.0011343500000000, 0.0012098700000000, -0.0007083100000000 ] - [ 0.0000000000000000, -0.0610406100000000, -0.0218871500000000 ] - [ 0.0004857600000000, 0.0012747700000000, 0.0015181300000000 ] - [ 0.0000000000000000, -0.0000510000000000, 0.0002928000000000 ] - [ 0.0032316200000000, -0.0030955100000000, -0.0032429700000000 ] - [ -0.0004946200000000, 0.0002382800000000, 0.0001219800000000 ] - [ -0.0004202500000000, -0.0005267600000000, -0.0001854000000000 ] - [ -0.0254025300000000, -0.0407986800000000, 0.0106032300000000 ] - [ -0.0000537400000000, -0.0024375600000000, 0.0039142700000000 ] - [ 0.0000979100000000, -0.0000177300000000, 0.0005781700000000 ] - [ 0.0018449800000000, 0.0016736200000000, -0.0018219400000000 ] - [ 0.0003597800000000, -0.0000530200000000, -0.0001570100000000 ] - [ 0.0000000000000000, 0.0003737100000000, 0.0001791200000000 ] - [ 0.0000000000000000, 0.0004987500000000, 0.0005828700000000 ] - [ -0.0003597800000000, -0.0000530200000000, -0.0001570100000000 ] - [ 0.0000000000000000, -0.0005205400000000, 0.0010127600000000 ] - [ 0.0000000000000000, -0.0002304800000000, 0.0000109400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0028599600000000, -0.0012176000000000, -0.0045543600000000 ] - [ 0.0127657400000000, -0.0108036500000000, 0.0229113500000000 ] - [ 0.0017119300000000, 0.0000837600000000, 0.0002421000000000 ] - [ -0.0002923000000000, -0.0000703000000000, -0.0015860200000000 ] - [ 0.0011799400000000, -0.0004499900000000, 0.0019277900000000 ] - [ -0.0017119300000000, 0.0000837600000000, 0.0002421000000000 ] - [ -0.0011799400000000, -0.0004499900000000, 0.0019277900000000 ] - [ -0.0127657400000000, -0.0108036500000000, 0.0229113500000000 ] - [ 0.0010637600000000, 0.0005454500000000, -0.0046244800000000 ] - [ 0.0028599600000000, -0.0012176000000000, -0.0045543600000000 ] - [ 0.0002923000000000, -0.0000703000000000, -0.0015860200000000 ] - [ -0.0010637600000000, 0.0005454500000000, -0.0046244800000000 ] - [ 0.0076436100000000, 0.0007802700000000, -0.0016436300000000 ] - [ 0.0007634900000000, -0.0004641500000000, -0.0016140800000000 ] - [ 0.0000000000000000, -0.0001265200000000, -0.0040321400000000 ] - [ 0.0048827900000000, -0.0007367100000000, 0.0007225400000000 ] - [ 0.0000000000000000, -0.0005395900000000, -0.0000169000000000 ] - [ 0.0011890900000000, -0.0001682700000000, -0.0010115200000000 ] - [ -0.0009777400000000, 0.0017080100000000, 0.0034780200000000 ] - [ 0.0000000000000000, -0.0069787100000000, 0.0487168100000000 ] - [ -0.0007634900000000, -0.0004641500000000, -0.0016140800000000 ] - [ -0.0001367700000000, -0.0000619600000000, -0.0018533100000000 ] - [ 0.0000000000000000, -0.0003089200000000, 0.0000478800000000 ] - [ 0.0000000000000000, 0.0000601800000000, 0.0007429300000000 ] - [ 0.0001367700000000, -0.0000619600000000, -0.0018533100000000 ] - [ 0.0000000000000000, -0.0039976200000000, -0.0057346000000000 ] - [ -0.0011890900000000, -0.0001682700000000, -0.0010115200000000 ] - [ 0.0000000000000000, 0.0018520200000000, -0.0049871400000000 ] - [ 0.0000000000000000, -0.0000096700000000, -0.0008084400000000 ] - [ -0.0048827900000000, -0.0007367100000000, 0.0007225400000000 ] - [ -0.0076436100000000, 0.0007802700000000, -0.0016436300000000 ] - [ 0.0009777400000000, 0.0017080100000000, 0.0034780200000000 ] - [ 0.0025162200000000, -0.0002672000000000, 0.0008466700000000 ] - [ 0.0055246200000000, 0.0020228600000000, 0.0066167600000000 ] - [ -0.0036354300000000, -0.0018386300000000, 0.0069754300000000 ] - [ -0.0001312100000000, -0.0001598900000000, 0.0011924800000000 ] - [ 0.0017962600000000, 0.0005740900000000, -0.0019019800000000 ] - [ -0.0005095800000000, -0.0003529800000000, 0.0008662100000000 ] - [ -0.0039046200000000, 0.0004452500000000, -0.0027495000000000 ] - [ 0.0000000000000000, 0.0004146300000000, -0.0010274500000000 ] - [ 0.0133850900000000, -0.0194618100000000, -0.0053799600000000 ] - [ 0.0001054900000000, -0.0000407400000000, 0.0016769700000000 ] - [ 0.0004805400000000, 0.0000886900000000, 0.0014844000000000 ] - [ -0.0025162200000000, -0.0002672000000000, 0.0008466700000000 ] - [ -0.0020066900000000, 0.0000340200000000, 0.0011861100000000 ] - [ 0.0014017200000000, 0.0009280900000000, 0.0001136100000000 ] - [ 0.0000000000000000, 0.0011424800000000, 0.0023317700000000 ] - [ 0.0000000000000000, 0.0001997100000000, 0.0006265600000000 ] - [ 0.0000000000000000, 0.0509621400000000, -0.0902301700000000 ] - [ 0.0020066900000000, 0.0000340200000000, 0.0011861100000000 ] - [ 0.0002087100000000, -0.0004394900000000, -0.0009158000000000 ] - [ 0.0003232600000000, -0.0001630700000000, 0.0020205700000000 ] - [ -0.0004805400000000, 0.0000886900000000, 0.0014844000000000 ] - [ -0.0017962600000000, 0.0005740900000000, -0.0019019800000000 ] - [ -0.0003232600000000, -0.0001630700000000, 0.0020205700000000 ] - [ 0.0005095800000000, -0.0003529800000000, 0.0008662100000000 ] - [ -0.0003629500000000, 0.0001387100000000, 0.0005247300000000 ] - [ 0.0011049300000000, 0.0002177100000000, 0.0005360700000000 ] - [ 0.0000000000000000, 0.0001980700000000, -0.0002732100000000 ] - [ -0.0027036700000000, -0.0020506300000000, -0.0030647900000000 ] - [ 0.0000000000000000, 0.0001119100000000, 0.0036911100000000 ] - [ -0.0001054900000000, -0.0000407400000000, 0.0016769700000000 ] - [ 0.0001312100000000, -0.0001598900000000, 0.0011924800000000 ] - [ -0.0055246200000000, 0.0020228600000000, 0.0066167600000000 ] - [ 0.0000000000000000, 0.0197348900000000, 0.0013013900000000 ] - [ 0.0036354300000000, -0.0018386300000000, 0.0069754300000000 ] - [ 0.0000000000000000, 0.0000802100000000, 0.0005154400000000 ] - [ 0.0027036700000000, -0.0020506300000000, -0.0030647900000000 ] - [ -0.0011049300000000, 0.0002177100000000, 0.0005360700000000 ] - [ -0.0002087100000000, -0.0004394900000000, -0.0009158000000000 ] - [ -0.0133850900000000, -0.0194618100000000, -0.0053799600000000 ] - [ -0.0014017200000000, 0.0009280900000000, 0.0001136100000000 ] - [ 0.0003629500000000, 0.0001387100000000, 0.0005247300000000 ] - [ 0.0039046200000000, 0.0004452500000000, -0.0027495000000000 ] - [ 0.0004294200000000, -0.0000964400000000, 0.0000323000000000 ] - [ 0.0000000000000000, 0.0003873000000000, 0.0000653200000000 ] - [ 0.0000000000000000, 0.0010146400000000, 0.0028222800000000 ] - [ -0.0004294200000000, -0.0000964400000000, 0.0000323000000000 ] - [ 0.0000000000000000, -0.0012295800000000, 0.0018947900000000 ] - [ 0.0000000000000000, -0.0004144100000000, -0.0005556100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0024471300000000, 0.0009404700000000, 0.0045103500000000 ] - [ -0.0124818000000000, 0.0111300600000000, -0.0227404800000000 ] - [ -0.0013111500000000, 0.0001813300000000, -0.0002929300000000 ] - [ 0.0006876200000000, -0.0001980200000000, 0.0016314300000000 ] - [ -0.0020434000000000, 0.0004490200000000, -0.0019224200000000 ] - [ 0.0013111500000000, 0.0001813300000000, -0.0002929300000000 ] - [ 0.0020434000000000, 0.0004490200000000, -0.0019224200000000 ] - [ 0.0124818000000000, 0.0111300600000000, -0.0227404800000000 ] - [ -0.0019312200000000, -0.0005556000000000, 0.0046303700000000 ] - [ -0.0024471300000000, 0.0009404700000000, 0.0045103500000000 ] - [ -0.0006876200000000, -0.0001980200000000, 0.0016314300000000 ] - [ 0.0019312200000000, -0.0005556000000000, 0.0046303700000000 ] - [ -0.0075055100000000, -0.0007300100000000, 0.0017041100000000 ] - [ -0.0006017300000000, 0.0004655400000000, 0.0016143400000000 ] - [ 0.0000000000000000, 0.0000160500000000, 0.0036692600000000 ] - [ -0.0050151300000000, 0.0009867000000000, -0.0004727400000000 ] - [ 0.0000000000000000, 0.0004246100000000, 0.0003811500000000 ] - [ -0.0012881200000000, -0.0000594200000000, 0.0012882300000000 ] - [ 0.0010842200000000, -0.0014724500000000, -0.0037538900000000 ] - [ 0.0000000000000000, 0.0075119300000000, -0.0489034200000000 ] - [ 0.0006017300000000, 0.0004655400000000, 0.0016143400000000 ] - [ 0.0000357900000000, -0.0001679000000000, 0.0015853900000000 ] - [ 0.0000000000000000, -0.0000611600000000, -0.0001730400000000 ] - [ 0.0000000000000000, 0.0000553800000000, -0.0011083500000000 ] - [ -0.0000357900000000, -0.0001679000000000, 0.0015853900000000 ] - [ 0.0000000000000000, 0.0041661300000000, 0.0060373400000000 ] - [ 0.0012881200000000, -0.0000594200000000, 0.0012882300000000 ] - [ 0.0000000000000000, -0.0014651100000000, 0.0048604400000000 ] - [ 0.0000000000000000, 0.0003809900000000, 0.0009322100000000 ] - [ 0.0050151300000000, 0.0009867000000000, -0.0004727400000000 ] - [ 0.0075055100000000, -0.0007300100000000, 0.0017041100000000 ] - [ -0.0010842200000000, -0.0014724500000000, -0.0037538900000000 ] - [ -0.0023381600000000, 0.0001797100000000, -0.0005870500000000 ] - [ -0.0060409600000000, -0.0019813800000000, -0.0071496900000000 ] - [ 0.0033419600000000, 0.0015401100000000, -0.0066219900000000 ] - [ -0.0000626200000000, 0.0000785300000000, -0.0014707800000000 ] - [ -0.0017983700000000, -0.0002479100000000, 0.0019121700000000 ] - [ 0.0002714800000000, 0.0000917200000000, -0.0011276900000000 ] - [ 0.0037226600000000, -0.0003726500000000, 0.0024728100000000 ] - [ 0.0000000000000000, -0.0006576900000000, 0.0011459600000000 ] - [ -0.0131530900000000, 0.0197303800000000, 0.0049829500000000 ] - [ 0.0000108600000000, 0.0000595500000000, -0.0017665300000000 ] - [ -0.0004785600000000, -0.0004190000000000, -0.0014864500000000 ] - [ 0.0023381600000000, 0.0001797100000000, -0.0005870500000000 ] - [ 0.0018261300000000, 0.0000480400000000, -0.0009119900000000 ] - [ -0.0015102500000000, -0.0009627700000000, 0.0000020800000000 ] - [ 0.0000000000000000, -0.0013871700000000, -0.0024293200000000 ] - [ 0.0000000000000000, 0.0000520600000000, -0.0007673000000000 ] - [ 0.0000000000000000, -0.0514981800000000, 0.0905827900000000 ] - [ -0.0018261300000000, 0.0000480400000000, -0.0009119900000000 ] - [ 0.0002284400000000, 0.0005349300000000, 0.0013269900000000 ] - [ 0.0001127900000000, 0.0000718100000000, -0.0016131900000000 ] - [ 0.0004785600000000, -0.0004190000000000, -0.0014864500000000 ] - [ 0.0017983700000000, -0.0002479100000000, 0.0019121700000000 ] - [ -0.0001127900000000, 0.0000718100000000, -0.0016131900000000 ] - [ -0.0002714800000000, 0.0000917200000000, -0.0011276900000000 ] - [ 0.0001247600000000, 0.0001227200000000, -0.0002613100000000 ] - [ -0.0012165100000000, -0.0002005400000000, -0.0004508300000000 ] - [ 0.0000000000000000, 0.0000453200000000, 0.0001544100000000 ] - [ 0.0025889800000000, 0.0020381500000000, 0.0029814400000000 ] - [ 0.0000000000000000, 0.0001404300000000, -0.0035526800000000 ] - [ -0.0000108600000000, 0.0000595500000000, -0.0017665300000000 ] - [ 0.0000626200000000, 0.0000785300000000, -0.0014707800000000 ] - [ 0.0060409600000000, -0.0019813800000000, -0.0071496900000000 ] - [ 0.0000000000000000, -0.0200524300000000, -0.0014255900000000 ] - [ -0.0033419600000000, 0.0015401100000000, -0.0066219900000000 ] - [ 0.0000000000000000, -0.0004581200000000, -0.0004850400000000 ] - [ -0.0025889800000000, 0.0020381500000000, 0.0029814400000000 ] - [ 0.0012165100000000, -0.0002005400000000, -0.0004508300000000 ] - [ -0.0002284400000000, 0.0005349300000000, 0.0013269900000000 ] - [ 0.0131530900000000, 0.0197303800000000, 0.0049829500000000 ] - [ 0.0015102500000000, -0.0009627700000000, 0.0000020800000000 ] - [ -0.0001247600000000, 0.0001227200000000, -0.0002613100000000 ] - [ -0.0037226600000000, -0.0003726500000000, 0.0024728100000000 ] - [ -0.0008692500000000, 0.0000020300000000, -0.0004443100000000 ] - [ 0.0000000000000000, -0.0000165100000000, -0.0001003300000000 ] - [ 0.0000000000000000, -0.0007713400000000, -0.0027095500000000 ] - [ 0.0008692500000000, 0.0000020300000000, -0.0004443100000000 ] - [ 0.0000000000000000, 0.0008434000000000, -0.0019396000000000 ] - [ 0.0000000000000000, 0.0001651100000000, 0.0006938700000000 ]