# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/57c6689f-537c-4e66-88d6-375bca732179/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 La(ErS2)3 / P2_1/m (11) / materials id 973441](https://mdr.nims.go.jp/datasets/e32142b1-41ee-4eb3-aa10-46624e3f8d46) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/m" number: 11 Hall_symbol: "-P 2yb"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 10.882634060000001, 0.000000000000000, -0.023804240000000 ] # a - [ 0.000000000000000, 3.934033190000000, 0.000000000000000 ] # b - [ -3.607156120000000, 0.000000000000000, 10.584027559999999 ] # c points: - symbol: La # 1 coordinates: [ 0.447965390000000, 0.250000000000000, 0.803665120000000 ] mass: 138.905470 - symbol: La # 2 coordinates: [ 0.552034610000000, 0.750000000000000, 0.196334880000000 ] mass: 138.905470 - symbol: Er # 3 coordinates: [ 0.178788350000000, 0.750000000000000, 0.000566490000000 ] mass: 167.259000 - symbol: Er # 4 coordinates: [ 0.053797880000000, 0.250000000000000, 0.666550420000000 ] mass: 167.259000 - symbol: Er # 5 coordinates: [ 0.946202120000000, 0.750000000000000, 0.333449580000000 ] mass: 167.259000 - symbol: Er # 6 coordinates: [ 0.339798190000000, 0.250000000000000, 0.412254750000000 ] mass: 167.259000 - symbol: Er # 7 coordinates: [ 0.660201810000000, 0.750000000000000, 0.587745250000000 ] mass: 167.259000 - symbol: Er # 8 coordinates: [ 0.821211650000000, 0.250000000000000, 0.999433510000000 ] mass: 167.259000 - symbol: S # 9 coordinates: [ 0.108398990000000, 0.250000000000000, 0.445417000000000 ] mass: 32.065000 - symbol: S # 10 coordinates: [ 0.891601010000000, 0.750000000000000, 0.554583000000000 ] mass: 32.065000 - symbol: S # 11 coordinates: [ 0.697968490000000, 0.250000000000000, 0.749109340000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.302031510000000, 0.750000000000000, 0.250890660000000 ] mass: 32.065000 - symbol: S # 13 coordinates: [ 0.019023950000000, 0.250000000000000, 0.888044910000000 ] mass: 32.065000 - symbol: S # 14 coordinates: [ 0.980976050000000, 0.750000000000000, 0.111955090000000 ] mass: 32.065000 - symbol: S # 15 coordinates: [ 0.377831660000000, 0.250000000000000, 0.036352350000000 ] mass: 32.065000 - symbol: S # 16 coordinates: [ 0.622168340000000, 0.750000000000000, 0.963647650000000 ] mass: 32.065000 - symbol: S # 17 coordinates: [ 0.769830080000000, 0.250000000000000, 0.229988890000000 ] mass: 32.065000 - symbol: S # 18 coordinates: [ 0.230169920000000, 0.750000000000000, 0.770011110000000 ] mass: 32.065000 - symbol: S # 19 coordinates: [ 0.583940470000000, 0.250000000000000, 0.407906160000000 ] mass: 32.065000 - symbol: S # 20 coordinates: [ 0.416059530000000, 0.750000000000000, 0.592093840000000 ] mass: 32.065000 reciprocal_lattice: # without 2pi - [ 0.091958070782529, 0.000000000000000, 0.031340349023675 ] # a* - [ 0.000000000000000, 0.254192059828555, 0.000000000000000 ] # b* - [ 0.000206820321889, 0.000000000000000, 0.094552478016208 ] # c*unit_cell: lattice: - [ 10.882634060000001, 0.000000000000000, -0.023804240000000 ] # a - [ 0.000000000000000, 3.934033190000000, 0.000000000000000 ] # b - [ -3.607156120000000, 0.000000000000000, 10.584027559999999 ] # c points: - symbol: La # 1 coordinates: [ 0.447965390000000, 0.250000000000000, 0.803665120000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 2 coordinates: [ 0.552034610000000, 0.750000000000000, 0.196334880000000 ] mass: 138.905470 reduced_to: 2 - symbol: Er # 3 coordinates: [ 0.178788350000000, 0.750000000000000, 0.000566490000000 ] mass: 167.259000 reduced_to: 3 - symbol: Er # 4 coordinates: [ 0.053797880000000, 0.250000000000000, 0.666550420000000 ] mass: 167.259000 reduced_to: 4 - symbol: Er # 5 coordinates: [ 0.946202120000000, 0.750000000000000, 0.333449580000000 ] mass: 167.259000 reduced_to: 5 - symbol: Er # 6 coordinates: [ 0.339798190000000, 0.250000000000000, 0.412254750000000 ] mass: 167.259000 reduced_to: 6 - symbol: Er # 7 coordinates: [ 0.660201810000000, 0.750000000000000, 0.587745250000000 ] mass: 167.259000 reduced_to: 7 - symbol: Er # 8 coordinates: [ 0.821211650000000, 0.250000000000000, 0.999433510000000 ] mass: 167.259000 reduced_to: 8 - symbol: S # 9 coordinates: [ 0.108398990000000, 0.250000000000000, 0.445417000000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.891601010000000, 0.750000000000000, 0.554583000000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.697968490000000, 0.250000000000000, 0.749109340000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.302031510000000, 0.750000000000000, 0.250890660000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 13 coordinates: [ 0.019023950000000, 0.250000000000000, 0.888044910000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.980976050000000, 0.750000000000000, 0.111955090000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 15 coordinates: [ 0.377831660000000, 0.250000000000000, 0.036352350000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 16 coordinates: [ 0.622168340000000, 0.750000000000000, 0.963647650000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 17 coordinates: [ 0.769830080000000, 0.250000000000000, 0.229988890000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.230169920000000, 0.750000000000000, 0.770011110000000 ] mass: 32.065000 reduced_to: 18 - symbol: S # 19 coordinates: [ 0.583940470000000, 0.250000000000000, 0.407906160000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.416059530000000, 0.750000000000000, 0.592093840000000 ] mass: 32.065000 reduced_to: 20supercell: lattice: - [ 21.765268120000002, 0.000000000000000, -0.047608480000000 ] # a - [ 0.000000000000000, 11.802099569999999, 0.000000000000000 ] # b - [ -3.607156120000000, 0.000000000000000, 10.584027559999999 ] # c points: - symbol: La # 1 coordinates: [ 0.223982695000000, 0.083333333333333, 0.803665120000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 2 coordinates: [ 0.723982695000000, 0.083333333333333, 0.803665120000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 3 coordinates: [ 0.223982695000000, 0.416666666666667, 0.803665120000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 4 coordinates: [ 0.723982695000000, 0.416666666666667, 0.803665120000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 5 coordinates: [ 0.223982695000000, 0.750000000000000, 0.803665120000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 6 coordinates: [ 0.723982695000000, 0.750000000000000, 0.803665120000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 7 coordinates: [ 0.276017305000000, 0.250000000000000, 0.196334880000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 8 coordinates: [ 0.776017305000000, 0.250000000000000, 0.196334880000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 9 coordinates: [ 0.276017305000000, 0.583333333333333, 0.196334880000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 10 coordinates: [ 0.776017305000000, 0.583333333333333, 0.196334880000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 11 coordinates: [ 0.276017305000000, 0.916666666666667, 0.196334880000000 ] mass: 138.905470 reduced_to: 7 - symbol: La # 12 coordinates: [ 0.776017305000000, 0.916666666666667, 0.196334880000000 ] mass: 138.905470 reduced_to: 7 - symbol: Er # 13 coordinates: [ 0.089394175000000, 0.250000000000000, 0.000566490000000 ] mass: 167.259000 reduced_to: 13 - symbol: Er # 14 coordinates: [ 0.589394175000000, 0.250000000000000, 0.000566490000000 ] mass: 167.259000 reduced_to: 13 - symbol: Er # 15 coordinates: [ 0.089394175000000, 0.583333333333333, 0.000566490000000 ] mass: 167.259000 reduced_to: 13 - symbol: Er # 16 coordinates: [ 0.589394175000000, 0.583333333333333, 0.000566490000000 ] mass: 167.259000 reduced_to: 13 - symbol: Er # 17 coordinates: [ 0.089394175000000, 0.916666666666667, 0.000566490000000 ] mass: 167.259000 reduced_to: 13 - symbol: Er # 18 coordinates: [ 0.589394175000000, 0.916666666666667, 0.000566490000000 ] mass: 167.259000 reduced_to: 13 - symbol: Er # 19 coordinates: [ 0.026898940000000, 0.083333333333333, 0.666550420000000 ] mass: 167.259000 reduced_to: 19 - symbol: Er # 20 coordinates: [ 0.526898940000000, 0.083333333333333, 0.666550420000000 ] mass: 167.259000 reduced_to: 19 - symbol: Er # 21 coordinates: [ 0.026898940000000, 0.416666666666667, 0.666550420000000 ] mass: 167.259000 reduced_to: 19 - symbol: Er # 22 coordinates: [ 0.526898940000000, 0.416666666666667, 0.666550420000000 ] mass: 167.259000 reduced_to: 19 - symbol: Er # 23 coordinates: [ 0.026898940000000, 0.750000000000000, 0.666550420000000 ] mass: 167.259000 reduced_to: 19 - symbol: Er # 24 coordinates: [ 0.526898940000000, 0.750000000000000, 0.666550420000000 ] mass: 167.259000 reduced_to: 19 - symbol: Er # 25 coordinates: [ 0.473101060000000, 0.250000000000000, 0.333449580000000 ] mass: 167.259000 reduced_to: 25 - symbol: Er # 26 coordinates: [ 0.973101060000000, 0.250000000000000, 0.333449580000000 ] mass: 167.259000 reduced_to: 25 - symbol: Er # 27 coordinates: [ 0.473101060000000, 0.583333333333333, 0.333449580000000 ] mass: 167.259000 reduced_to: 25 - symbol: Er # 28 coordinates: [ 0.973101060000000, 0.583333333333333, 0.333449580000000 ] mass: 167.259000 reduced_to: 25 - symbol: Er # 29 coordinates: [ 0.473101060000000, 0.916666666666667, 0.333449580000000 ] mass: 167.259000 reduced_to: 25 - symbol: Er # 30 coordinates: [ 0.973101060000000, 0.916666666666667, 0.333449580000000 ] mass: 167.259000 reduced_to: 25 - symbol: Er # 31 coordinates: [ 0.169899095000000, 0.083333333333333, 0.412254750000000 ] mass: 167.259000 reduced_to: 31 - symbol: Er # 32 coordinates: [ 0.669899095000000, 0.083333333333333, 0.412254750000000 ] mass: 167.259000 reduced_to: 31 - symbol: Er # 33 coordinates: [ 0.169899095000000, 0.416666666666667, 0.412254750000000 ] mass: 167.259000 reduced_to: 31 - symbol: Er # 34 coordinates: [ 0.669899095000000, 0.416666666666667, 0.412254750000000 ] mass: 167.259000 reduced_to: 31 - symbol: Er # 35 coordinates: [ 0.169899095000000, 0.750000000000000, 0.412254750000000 ] mass: 167.259000 reduced_to: 31 - symbol: Er # 36 coordinates: [ 0.669899095000000, 0.750000000000000, 0.412254750000000 ] mass: 167.259000 reduced_to: 31 - symbol: Er # 37 coordinates: [ 0.330100905000000, 0.250000000000000, 0.587745250000000 ] mass: 167.259000 reduced_to: 37 - symbol: Er # 38 coordinates: [ 0.830100905000000, 0.250000000000000, 0.587745250000000 ] mass: 167.259000 reduced_to: 37 - symbol: Er # 39 coordinates: [ 0.330100905000000, 0.583333333333333, 0.587745250000000 ] mass: 167.259000 reduced_to: 37 - symbol: Er # 40 coordinates: [ 0.830100905000000, 0.583333333333333, 0.587745250000000 ] mass: 167.259000 reduced_to: 37 - symbol: Er # 41 coordinates: [ 0.330100905000000, 0.916666666666667, 0.587745250000000 ] mass: 167.259000 reduced_to: 37 - symbol: Er # 42 coordinates: [ 0.830100905000000, 0.916666666666667, 0.587745250000000 ] mass: 167.259000 reduced_to: 37 - symbol: Er # 43 coordinates: [ 0.410605825000000, 0.083333333333333, 0.999433510000000 ] mass: 167.259000 reduced_to: 43 - symbol: Er # 44 coordinates: [ 0.910605825000000, 0.083333333333333, 0.999433510000000 ] mass: 167.259000 reduced_to: 43 - symbol: Er # 45 coordinates: [ 0.410605825000000, 0.416666666666667, 0.999433510000000 ] mass: 167.259000 reduced_to: 43 - symbol: Er # 46 coordinates: [ 0.910605825000000, 0.416666666666667, 0.999433510000000 ] mass: 167.259000 reduced_to: 43 - symbol: Er # 47 coordinates: [ 0.410605825000000, 0.750000000000000, 0.999433510000000 ] mass: 167.259000 reduced_to: 43 - symbol: Er # 48 coordinates: [ 0.910605825000000, 0.750000000000000, 0.999433510000000 ] mass: 167.259000 reduced_to: 43 - symbol: S # 49 coordinates: [ 0.054199495000000, 0.083333333333333, 0.445417000000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.554199495000000, 0.083333333333333, 0.445417000000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 51 coordinates: [ 0.054199495000000, 0.416666666666667, 0.445417000000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 52 coordinates: [ 0.554199495000000, 0.416666666666667, 0.445417000000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 53 coordinates: [ 0.054199495000000, 0.750000000000000, 0.445417000000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 54 coordinates: [ 0.554199495000000, 0.750000000000000, 0.445417000000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 55 coordinates: [ 0.445800505000000, 0.250000000000000, 0.554583000000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 56 coordinates: [ 0.945800505000000, 0.250000000000000, 0.554583000000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 57 coordinates: [ 0.445800505000000, 0.583333333333333, 0.554583000000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 58 coordinates: [ 0.945800505000000, 0.583333333333333, 0.554583000000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 59 coordinates: [ 0.445800505000000, 0.916666666666667, 0.554583000000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 60 coordinates: [ 0.945800505000000, 0.916666666666667, 0.554583000000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 61 coordinates: [ 0.348984245000000, 0.083333333333333, 0.749109340000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 62 coordinates: [ 0.848984245000000, 0.083333333333333, 0.749109340000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 63 coordinates: [ 0.348984245000000, 0.416666666666667, 0.749109340000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 64 coordinates: [ 0.848984245000000, 0.416666666666667, 0.749109340000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 65 coordinates: [ 0.348984245000000, 0.750000000000000, 0.749109340000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 66 coordinates: [ 0.848984245000000, 0.750000000000000, 0.749109340000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 67 coordinates: [ 0.151015755000000, 0.250000000000000, 0.250890660000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 68 coordinates: [ 0.651015755000000, 0.250000000000000, 0.250890660000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 69 coordinates: [ 0.151015755000000, 0.583333333333333, 0.250890660000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 70 coordinates: [ 0.651015755000000, 0.583333333333333, 0.250890660000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 71 coordinates: [ 0.151015755000000, 0.916666666666667, 0.250890660000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 72 coordinates: [ 0.651015755000000, 0.916666666666667, 0.250890660000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 73 coordinates: [ 0.009511975000000, 0.083333333333333, 0.888044910000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 74 coordinates: [ 0.509511975000000, 0.083333333333333, 0.888044910000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 75 coordinates: [ 0.009511975000000, 0.416666666666667, 0.888044910000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 76 coordinates: [ 0.509511975000000, 0.416666666666667, 0.888044910000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 77 coordinates: [ 0.009511975000000, 0.750000000000000, 0.888044910000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 78 coordinates: [ 0.509511975000000, 0.750000000000000, 0.888044910000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 79 coordinates: [ 0.490488025000000, 0.250000000000000, 0.111955090000000 ] mass: 32.065000 reduced_to: 79 - symbol: S # 80 coordinates: [ 0.990488025000000, 0.250000000000000, 0.111955090000000 ] mass: 32.065000 reduced_to: 79 - symbol: S # 81 coordinates: [ 0.490488025000000, 0.583333333333333, 0.111955090000000 ] mass: 32.065000 reduced_to: 79 - symbol: S # 82 coordinates: [ 0.990488025000000, 0.583333333333333, 0.111955090000000 ] mass: 32.065000 reduced_to: 79 - symbol: S # 83 coordinates: [ 0.490488025000000, 0.916666666666667, 0.111955090000000 ] mass: 32.065000 reduced_to: 79 - symbol: S # 84 coordinates: [ 0.990488025000000, 0.916666666666667, 0.111955090000000 ] mass: 32.065000 reduced_to: 79 - symbol: S # 85 coordinates: [ 0.188915830000000, 0.083333333333333, 0.036352350000000 ] mass: 32.065000 reduced_to: 85 - symbol: S # 86 coordinates: [ 0.688915830000000, 0.083333333333333, 0.036352350000000 ] mass: 32.065000 reduced_to: 85 - symbol: S # 87 coordinates: [ 0.188915830000000, 0.416666666666667, 0.036352350000000 ] mass: 32.065000 reduced_to: 85 - symbol: S # 88 coordinates: [ 0.688915830000000, 0.416666666666667, 0.036352350000000 ] mass: 32.065000 reduced_to: 85 - symbol: S # 89 coordinates: [ 0.188915830000000, 0.750000000000000, 0.036352350000000 ] mass: 32.065000 reduced_to: 85 - symbol: S # 90 coordinates: [ 0.688915830000000, 0.750000000000000, 0.036352350000000 ] mass: 32.065000 reduced_to: 85 - symbol: S # 91 coordinates: [ 0.311084170000000, 0.250000000000000, 0.963647650000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 92 coordinates: [ 0.811084170000000, 0.250000000000000, 0.963647650000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 93 coordinates: [ 0.311084170000000, 0.583333333333333, 0.963647650000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 94 coordinates: [ 0.811084170000000, 0.583333333333333, 0.963647650000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 95 coordinates: [ 0.311084170000000, 0.916666666666667, 0.963647650000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 96 coordinates: [ 0.811084170000000, 0.916666666666667, 0.963647650000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 97 coordinates: [ 0.384915040000000, 0.083333333333333, 0.229988890000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 98 coordinates: [ 0.884915040000000, 0.083333333333333, 0.229988890000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 99 coordinates: [ 0.384915040000000, 0.416666666666667, 0.229988890000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 100 coordinates: [ 0.884915040000000, 0.416666666666667, 0.229988890000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 101 coordinates: [ 0.384915040000000, 0.750000000000000, 0.229988890000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 102 coordinates: [ 0.884915040000000, 0.750000000000000, 0.229988890000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 103 coordinates: [ 0.115084960000000, 0.250000000000000, 0.770011110000000 ] mass: 32.065000 reduced_to: 103 - symbol: S # 104 coordinates: [ 0.615084960000000, 0.250000000000000, 0.770011110000000 ] mass: 32.065000 reduced_to: 103 - symbol: S # 105 coordinates: [ 0.115084960000000, 0.583333333333333, 0.770011110000000 ] mass: 32.065000 reduced_to: 103 - symbol: S # 106 coordinates: [ 0.615084960000000, 0.583333333333333, 0.770011110000000 ] mass: 32.065000 reduced_to: 103 - symbol: S # 107 coordinates: [ 0.115084960000000, 0.916666666666667, 0.770011110000000 ] mass: 32.065000 reduced_to: 103 - symbol: S # 108 coordinates: [ 0.615084960000000, 0.916666666666667, 0.770011110000000 ] mass: 32.065000 reduced_to: 103 - symbol: S # 109 coordinates: [ 0.291970235000000, 0.083333333333333, 0.407906160000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 110 coordinates: [ 0.791970235000000, 0.083333333333333, 0.407906160000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 111 coordinates: [ 0.291970235000000, 0.416666666666667, 0.407906160000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 112 coordinates: [ 0.791970235000000, 0.416666666666667, 0.407906160000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 113 coordinates: [ 0.291970235000000, 0.750000000000000, 0.407906160000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 114 coordinates: [ 0.791970235000000, 0.750000000000000, 0.407906160000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 115 coordinates: [ 0.208029765000000, 0.250000000000000, 0.592093840000000 ] mass: 32.065000 reduced_to: 115 - symbol: S # 116 coordinates: [ 0.708029765000000, 0.250000000000000, 0.592093840000000 ] mass: 32.065000 reduced_to: 115 - symbol: S # 117 coordinates: [ 0.208029765000000, 0.583333333333333, 0.592093840000000 ] mass: 32.065000 reduced_to: 115 - symbol: S # 118 coordinates: [ 0.708029765000000, 0.583333333333333, 0.592093840000000 ] mass: 32.065000 reduced_to: 115 - symbol: S # 119 coordinates: [ 0.208029765000000, 0.916666666666667, 0.592093840000000 ] mass: 32.065000 reduced_to: 115 - symbol: S # 120 coordinates: [ 0.708029765000000, 0.916666666666667, 0.592093840000000 ] mass: 32.065000 reduced_to: 115born_effective_charge:- # 1 (La) - [ 4.015790830000000, 0.000000000000000, -0.170281040000000 ] - [ 0.000000000000000, 4.218504910000000, 0.000000000000000 ] - [ -0.340329770000000, 0.000000000000000, 4.098380540000000 ]- # 2 (La) - [ 4.015790830000000, 0.000000000000000, -0.170281040000000 ] - [ 0.000000000000000, 4.218504910000000, 0.000000000000000 ] - [ -0.340329770000000, 0.000000000000000, 4.098380540000000 ]- # 3 (Er) - [ 3.826952850000001, 0.000000000000000, 0.068073700000000 ] - [ 0.000000000000000, 3.656980820000000, 0.000000000000000 ] - [ 0.380039880000000, 0.000000000000000, 3.764741740000000 ]- # 4 (Er) - [ 3.079891450000000, 0.000000000000000, 0.306453100000000 ] - [ 0.000000000000000, 4.345947370000000, 0.000000000000000 ] - [ 0.051000500000000, 0.000000000000000, 4.637635230000000 ]- # 5 (Er) - [ 3.079891450000001, 0.000000000000000, 0.306453100000000 ] - [ 0.000000000000000, 4.345947370000000, 0.000000000000000 ] - [ 0.051000500000000, 0.000000000000000, 4.637635230000000 ]- # 6 (Er) - [ 3.858924610000000, 0.000000000000000, -0.288528680000000 ] - [ 0.000000000000000, 4.469063620000000, 0.000000000000000 ] - [ -0.118585300000000, 0.000000000000000, 3.467498720000000 ]- # 7 (Er) - [ 3.858924610000001, 0.000000000000000, -0.288528680000000 ] - [ 0.000000000000000, 4.469063620000000, 0.000000000000000 ] - [ -0.118585300000000, 0.000000000000000, 3.467498720000001 ]- # 8 (Er) - [ 3.826952850000001, 0.000000000000000, 0.068073700000000 ] - [ 0.000000000000000, 3.656980820000000, 0.000000000000000 ] - [ 0.380039880000000, 0.000000000000000, 3.764741740000001 ]- # 9 (S) - [ -3.239859980000000, 0.000000000000000, -0.012046480000000 ] - [ 0.000000000000000, -2.502544610000000, 0.000000000000000 ] - [ 0.030383800000000, 0.000000000000000, -2.541907620000000 ]- # 10 (S) - [ -3.239859980000001, 0.000000000000000, -0.012046480000000 ] - [ 0.000000000000000, -2.502544610000000, 0.000000000000000 ] - [ 0.030383800000000, 0.000000000000000, -2.541907620000000 ]- # 11 (S) - [ -1.844612080000000, 0.000000000000000, 0.185004390000000 ] - [ 0.000000000000000, -2.704212020000000, 0.000000000000000 ] - [ 0.249191980000000, 0.000000000000000, -3.305659110000001 ]- # 12 (S) - [ -1.844612080000001, 0.000000000000000, 0.185004390000000 ] - [ 0.000000000000000, -2.704212020000000, 0.000000000000000 ] - [ 0.249191980000000, 0.000000000000000, -3.305659110000001 ]- # 13 (S) - [ -2.583809130000000, 0.000000000000000, 0.448398660000000 ] - [ 0.000000000000000, -2.350878790000000, 0.000000000000000 ] - [ 0.259139800000000, 0.000000000000000, -2.636754390000000 ]- # 14 (S) - [ -2.583809130000000, 0.000000000000000, 0.448398660000000 ] - [ 0.000000000000000, -2.350878790000000, 0.000000000000000 ] - [ 0.259139800000000, 0.000000000000000, -2.636754390000000 ]- # 15 (S) - [ -2.389287190000000, 0.000000000000000, -0.343317260000000 ] - [ 0.000000000000000, -2.954450510000000, 0.000000000000000 ] - [ -0.350840620000000, 0.000000000000000, -2.404030190000000 ]- # 16 (S) - [ -2.389287190000000, 0.000000000000000, -0.343317260000000 ] - [ 0.000000000000000, -2.954450510000000, 0.000000000000000 ] - [ -0.350840620000000, 0.000000000000000, -2.404030190000000 ]- # 17 (S) - [ -2.789677650000000, 0.000000000000000, -0.418867340000000 ] - [ 0.000000000000000, -3.155302580000000, 0.000000000000000 ] - [ -0.189601610000000, 0.000000000000000, -2.094964890000000 ]- # 18 (S) - [ -2.789677650000000, 0.000000000000000, -0.418867340000000 ] - [ 0.000000000000000, -3.155302580000000, 0.000000000000000 ] - [ -0.189601610000000, 0.000000000000000, -2.094964890000000 ]- # 19 (S) - [ -1.934313720000000, 0.000000000000000, 0.225110930000000 ] - [ 0.000000000000000, -3.023108220000000, 0.000000000000000 ] - [ 0.029601370000000, 0.000000000000000, -2.984940010000000 ]- # 20 (S) - [ -1.934313720000000, 0.000000000000000, 0.225110930000000 ] - [ 0.000000000000000, -3.023108220000000, 0.000000000000000 ] - [ 0.029601370000000, 0.000000000000000, -2.984940010000000 ]dielectric_constant: - [ 7.224806570000000, 0.000000000000000, -0.090570180000000 ] - [ 0.000000000000000, 7.502989270000000, 0.000000000000000 ] - [ -0.092779830000000, 0.000000000000000, 7.434303070000000 ]displacements:- atom: 1 displacement: [ 0.0099999760773639, 0.0000000000000000, -0.0000218735491084 ] forces: - [ -0.0742434100000000, 0.0000000000000000, -0.0001092900000000 ] - [ 0.0022910700000000, 0.0000000000000000, 0.0008028300000000 ] - [ -0.0074057000000000, 0.0004762200000000, -0.0011440500000000 ] - [ 0.0021740300000000, 0.0000281200000000, 0.0008613500000000 ] - [ -0.0074057000000000, -0.0004762200000000, -0.0011440500000000 ] - [ 0.0021740300000000, -0.0000281200000000, 0.0008613500000000 ] - [ -0.0062480400000000, -0.0023853900000000, -0.0016130700000000 ] - [ 0.0001553900000000, -0.0000006300000000, -0.0000527100000000 ] - [ -0.0027590600000000, 0.0000000000000000, -0.0015538700000000 ] - [ -0.0000141200000000, 0.0000000000000000, -0.0001124100000000 ] - [ -0.0062480400000000, 0.0023853900000000, -0.0016130700000000 ] - [ 0.0001553900000000, 0.0000006300000000, -0.0000527100000000 ] - [ 0.0014289200000000, -0.0019289300000000, -0.0034129800000000 ] - [ 0.0008500100000000, 0.0005644800000000, 0.0011776700000000 ] - [ -0.0017610300000000, 0.0000000000000000, -0.0009587600000000 ] - [ 0.0003880600000000, 0.0000000000000000, 0.0010887500000000 ] - [ 0.0014289200000000, 0.0019289300000000, -0.0034129800000000 ] - [ 0.0008500100000000, -0.0005644800000000, 0.0011776700000000 ] - [ 0.0135036600000000, 0.0000000000000000, 0.0072522600000000 ] - [ 0.0041192900000000, 0.0000000000000000, 0.0010423300000000 ] - [ 0.0045937900000000, -0.0040422500000000, 0.0032403200000000 ] - [ 0.0029698700000000, 0.0004285000000000, 0.0015529300000000 ] - [ 0.0045937900000000, 0.0040422500000000, 0.0032403200000000 ] - [ 0.0029698700000000, -0.0004285000000000, 0.0015529300000000 ] - [ -0.0016258900000000, 0.0002924600000000, -0.0007395600000000 ] - [ -0.0018398600000000, -0.0006307200000000, -0.0003369600000000 ] - [ -0.0017400400000000, 0.0000000000000000, -0.0008345800000000 ] - [ -0.0020924000000000, 0.0000000000000000, -0.0005815100000000 ] - [ -0.0016258900000000, -0.0002924600000000, -0.0007395600000000 ] - [ -0.0018398600000000, 0.0006307200000000, -0.0003369600000000 ] - [ -0.0025736400000000, 0.0000000000000000, -0.0005816500000000 ] - [ 0.0014507200000000, 0.0000000000000000, 0.0022847500000000 ] - [ -0.0010521100000000, 0.0002462900000000, 0.0003921100000000 ] - [ 0.0013718100000000, 0.0000602400000000, 0.0022117400000000 ] - [ -0.0010521100000000, -0.0002462900000000, 0.0003921100000000 ] - [ 0.0013718100000000, -0.0000602400000000, 0.0022117400000000 ] - [ 0.0001556000000000, 0.0062039400000000, -0.0083356100000000 ] - [ 0.0014502200000000, -0.0000811700000000, -0.0017078300000000 ] - [ -0.0006356500000000, 0.0000000000000000, -0.0030036000000000 ] - [ 0.0010425700000000, 0.0000000000000000, -0.0016641200000000 ] - [ 0.0001556000000000, -0.0062039400000000, -0.0083356100000000 ] - [ 0.0014502200000000, 0.0000811700000000, -0.0017078300000000 ] - [ 0.0100528400000000, 0.0000000000000000, 0.0084934100000000 ] - [ 0.0021914700000000, 0.0000000000000000, -0.0005798900000000 ] - [ 0.0025309200000000, 0.0021032200000000, -0.0000276600000000 ] - [ 0.0018014700000000, -0.0001096000000000, -0.0004281400000000 ] - [ 0.0025309200000000, -0.0021032200000000, -0.0000276600000000 ] - [ 0.0018014700000000, 0.0001096000000000, -0.0004281400000000 ] - [ 0.0020936800000000, 0.0000000000000000, -0.0013904100000000 ] - [ 0.0006891100000000, 0.0000000000000000, 0.0006093100000000 ] - [ 0.0026256700000000, 0.0003369700000000, -0.0000722500000000 ] - [ 0.0007327400000000, -0.0001507600000000, 0.0005403500000000 ] - [ 0.0026256700000000, -0.0003369700000000, -0.0000722500000000 ] - [ 0.0007327400000000, 0.0001507600000000, 0.0005403500000000 ] - [ -0.0027000900000000, -0.0005991500000000, -0.0003717600000000 ] - [ -0.0035708900000000, 0.0006550800000000, -0.0020740000000000 ] - [ -0.0017540500000000, 0.0000000000000000, -0.0007637700000000 ] - [ -0.0026485200000000, 0.0000000000000000, -0.0015887700000000 ] - [ -0.0027000900000000, 0.0005991500000000, -0.0003717600000000 ] - [ -0.0035708900000000, -0.0006550800000000, -0.0020740000000000 ] - [ 0.0159058900000000, 0.0000000000000000, 0.0008132200000000 ] - [ -0.0005907700000000, 0.0000000000000000, 0.0003703500000000 ] - [ 0.0006219500000000, -0.0013701300000000, 0.0010296700000000 ] - [ -0.0004468900000000, 0.0000393200000000, 0.0004331400000000 ] - [ 0.0006219500000000, 0.0013701300000000, 0.0010296700000000 ] - [ -0.0004468900000000, -0.0000393200000000, 0.0004331400000000 ] - [ 0.0003195300000000, 0.0004724000000000, 0.0015235900000000 ] - [ -0.0007152800000000, -0.0000087900000000, -0.0010603800000000 ] - [ 0.0004886500000000, 0.0000000000000000, 0.0003193700000000 ] - [ -0.0005733300000000, 0.0000000000000000, -0.0008999900000000 ] - [ 0.0003195300000000, -0.0004724000000000, 0.0015235900000000 ] - [ -0.0007152800000000, 0.0000087900000000, -0.0010603800000000 ] - [ -0.0020291900000000, 0.0000000000000000, 0.0008036200000000 ] - [ -0.0024888700000000, 0.0000000000000000, -0.0007215400000000 ] - [ -0.0012995900000000, 0.0010102400000000, 0.0005536700000000 ] - [ -0.0010740200000000, -0.0001771700000000, -0.0002289800000000 ] - [ -0.0012995900000000, -0.0010102400000000, 0.0005536700000000 ] - [ -0.0010740200000000, 0.0001771700000000, -0.0002289800000000 ] - [ -0.0005397500000000, -0.0007982700000000, -0.0005144000000000 ] - [ -0.0001659700000000, 0.0001937200000000, 0.0004254900000000 ] - [ 0.0000270200000000, 0.0000000000000000, 0.0000575100000000 ] - [ 0.0003257700000000, 0.0000000000000000, 0.0004708400000000 ] - [ -0.0005397500000000, 0.0007982700000000, -0.0005144000000000 ] - [ -0.0001659700000000, -0.0001937200000000, 0.0004254900000000 ] - [ 0.0098710800000000, 0.0000000000000000, -0.0050819100000000 ] - [ -0.0015309700000000, 0.0000000000000000, -0.0010933500000000 ] - [ 0.0016858700000000, 0.0005863900000000, 0.0007035100000000 ] - [ -0.0013513400000000, -0.0000742200000000, -0.0010002800000000 ] - [ 0.0016858700000000, -0.0005863900000000, 0.0007035100000000 ] - [ -0.0013513400000000, 0.0000742200000000, -0.0010002800000000 ] - [ 0.0094373200000000, 0.0033113400000000, 0.0048690300000000 ] - [ -0.0001314900000000, 0.0000338000000000, 0.0003687700000000 ] - [ 0.0016742400000000, 0.0000000000000000, 0.0009795600000000 ] - [ -0.0000829700000000, 0.0000000000000000, 0.0003755500000000 ] - [ 0.0094373200000000, -0.0033113400000000, 0.0048690300000000 ] - [ -0.0001314900000000, -0.0000338000000000, 0.0003687700000000 ] - [ 0.0032808100000000, 0.0000000000000000, 0.0007551800000000 ] - [ 0.0019604000000000, 0.0000000000000000, 0.0013799000000000 ] - [ 0.0031777700000000, -0.0004707800000000, 0.0013383900000000 ] - [ 0.0021289600000000, 0.0001440400000000, 0.0013926800000000 ] - [ 0.0031777700000000, 0.0004707800000000, 0.0013383900000000 ] - [ 0.0021289600000000, -0.0001440400000000, 0.0013926800000000 ] - [ 0.0050509000000000, -0.0016850100000000, -0.0007791900000000 ] - [ -0.0036705300000000, -0.0001687400000000, -0.0019593400000000 ] - [ -0.0011049500000000, 0.0000000000000000, -0.0011160800000000 ] - [ -0.0035177300000000, 0.0000000000000000, -0.0019966900000000 ] - [ 0.0050509000000000, 0.0016850100000000, -0.0007791900000000 ] - [ -0.0036705300000000, 0.0001687400000000, -0.0019593400000000 ] - [ 0.0024004900000000, 0.0000000000000000, 0.0048204200000000 ] - [ 0.0005692600000000, 0.0000000000000000, 0.0017068300000000 ] - [ 0.0020747800000000, -0.0004939000000000, 0.0036005400000000 ] - [ 0.0006454100000000, 0.0000641200000000, 0.0017593100000000 ] - [ 0.0020747800000000, 0.0004939000000000, 0.0036005400000000 ] - [ 0.0006454100000000, -0.0000641200000000, 0.0017593100000000 ] - [ 0.0029622200000000, -0.0001678400000000, -0.0027232400000000 ] - [ -0.0019796400000000, 0.0000042500000000, -0.0023394200000000 ] - [ -0.0005665000000000, 0.0000000000000000, -0.0015794300000000 ] - [ -0.0018750400000000, 0.0000000000000000, -0.0023192100000000 ] - [ 0.0029622200000000, 0.0001678400000000, -0.0027232400000000 ] - [ -0.0019796400000000, -0.0000042500000000, -0.0023394200000000 ]- atom: 1 displacement: [ -0.0099999760773639, 0.0000000000000000, 0.0000218735491084 ] forces: - [ 0.0759867800000000, 0.0000000000000000, 0.0010064400000000 ] - [ -0.0002406700000000, 0.0000000000000000, 0.0004148900000000 ] - [ 0.0094939200000000, -0.0005313200000000, 0.0023643000000000 ] - [ -0.0001235800000000, -0.0000280700000000, 0.0003575200000000 ] - [ 0.0094939200000000, 0.0005313200000000, 0.0023643000000000 ] - [ -0.0001235800000000, 0.0000280700000000, 0.0003575200000000 ] - [ 0.0042009000000000, 0.0023830500000000, 0.0003824600000000 ] - [ -0.0022070700000000, 0.0000007600000000, -0.0011660600000000 ] - [ 0.0007089100000000, 0.0000000000000000, 0.0003388700000000 ] - [ -0.0020415700000000, 0.0000000000000000, -0.0011064400000000 ] - [ 0.0042009000000000, -0.0023830500000000, 0.0003824600000000 ] - [ -0.0022070700000000, -0.0000007600000000, -0.0011660600000000 ] - [ -0.0028045600000000, 0.0019347600000000, 0.0046281900000000 ] - [ -0.0022184700000000, -0.0005580700000000, 0.0000087800000000 ] - [ 0.0003895900000000, 0.0000000000000000, 0.0021500900000000 ] - [ -0.0017583700000000, 0.0000000000000000, 0.0001018000000000 ] - [ -0.0028045600000000, -0.0019347600000000, 0.0046281900000000 ] - [ -0.0022184700000000, 0.0005580700000000, 0.0000087800000000 ] - [ -0.0094130300000000, 0.0000000000000000, -0.0050085400000000 ] - [ 0.0001373100000000, 0.0000000000000000, 0.0012907000000000 ] - [ -0.0003516900000000, 0.0040671500000000, -0.0009109200000000 ] - [ 0.0012890700000000, -0.0004289500000000, 0.0007772000000000 ] - [ -0.0003516900000000, -0.0040671500000000, -0.0009109200000000 ] - [ 0.0012890700000000, 0.0004289500000000, 0.0007772000000000 ] - [ -0.0026373700000000, -0.0002895000000000, -0.0015945700000000 ] - [ -0.0024151900000000, 0.0006326900000000, -0.0019978600000000 ] - [ -0.0025200300000000, 0.0000000000000000, -0.0015065700000000 ] - [ -0.0021667000000000, 0.0000000000000000, -0.0017462300000000 ] - [ -0.0026373700000000, 0.0002895000000000, -0.0015945700000000 ] - [ -0.0024151900000000, -0.0006326900000000, -0.0019978600000000 ] - [ 0.0031343000000000, 0.0000000000000000, 0.0043421100000000 ] - [ -0.0008937900000000, 0.0000000000000000, 0.0014279100000000 ] - [ 0.0016136900000000, -0.0002694200000000, 0.0033353800000000 ] - [ -0.0008164900000000, -0.0000616900000000, 0.0014921900000000 ] - [ 0.0016136900000000, 0.0002694200000000, 0.0033353800000000 ] - [ -0.0008164900000000, 0.0000616900000000, 0.0014921900000000 ] - [ -0.0007153600000000, -0.0061308200000000, 0.0045671800000000 ] - [ -0.0020120000000000, 0.0000834700000000, -0.0019957700000000 ] - [ 0.0000730700000000, 0.0000000000000000, -0.0007001900000000 ] - [ -0.0015964600000000, 0.0000000000000000, -0.0020435600000000 ] - [ -0.0007153600000000, 0.0061308200000000, 0.0045671800000000 ] - [ -0.0020120000000000, -0.0000834700000000, -0.0019957700000000 ] - [ -0.0085873500000000, 0.0000000000000000, -0.0095176100000000 ] - [ -0.0008173900000000, 0.0000000000000000, -0.0005992400000000 ] - [ -0.0011850300000000, -0.0021044200000000, -0.0011516800000000 ] - [ -0.0004261000000000, 0.0001073600000000, -0.0007509200000000 ] - [ -0.0011850300000000, 0.0021044200000000, -0.0011516800000000 ] - [ -0.0004261000000000, -0.0001073600000000, -0.0007509200000000 ] - [ 0.0009739900000000, 0.0000000000000000, 0.0027704900000000 ] - [ 0.0023849800000000, 0.0000000000000000, 0.0007483200000000 ] - [ 0.0004375700000000, -0.0003396500000000, 0.0014376900000000 ] - [ 0.0023407600000000, 0.0001491700000000, 0.0008211300000000 ] - [ 0.0004375700000000, 0.0003396500000000, 0.0014376900000000 ] - [ 0.0023407600000000, -0.0001491700000000, 0.0008211300000000 ] - [ -0.0003735600000000, 0.0005980900000000, -0.0009811200000000 ] - [ 0.0005130000000000, -0.0006635000000000, 0.0007238500000000 ] - [ -0.0013154800000000, 0.0000000000000000, -0.0005893600000000 ] - [ -0.0004261100000000, 0.0000000000000000, 0.0002291100000000 ] - [ -0.0003735600000000, -0.0005980900000000, -0.0009811200000000 ] - [ 0.0005130000000000, 0.0006635000000000, 0.0007238500000000 ] - [ -0.0148635500000000, 0.0000000000000000, 0.0001050700000000 ] - [ 0.0007736100000000, 0.0000000000000000, 0.0007545500000000 ] - [ -0.0004384700000000, 0.0013604900000000, 0.0000907300000000 ] - [ 0.0006313700000000, -0.0000437200000000, 0.0006914100000000 ] - [ -0.0004384700000000, -0.0013604900000000, 0.0000907300000000 ] - [ 0.0006313700000000, 0.0000437200000000, 0.0006914100000000 ] - [ -0.0005012800000000, -0.0004663800000000, -0.0026669900000000 ] - [ 0.0005366000000000, 0.0000099400000000, -0.0000623100000000 ] - [ -0.0006638700000000, 0.0000000000000000, -0.0014552700000000 ] - [ 0.0003967200000000, 0.0000000000000000, -0.0002241100000000 ] - [ -0.0005012800000000, 0.0004663800000000, -0.0026669900000000 ] - [ 0.0005366000000000, -0.0000099400000000, -0.0000623100000000 ] - [ 0.0010542500000000, 0.0000000000000000, -0.0013218400000000 ] - [ 0.0015046800000000, 0.0000000000000000, 0.0002066900000000 ] - [ 0.0003264800000000, -0.0010131900000000, -0.0010693200000000 ] - [ 0.0001092000000000, 0.0001746300000000, -0.0002830100000000 ] - [ 0.0003264800000000, 0.0010131900000000, -0.0010693200000000 ] - [ 0.0001092000000000, -0.0001746300000000, -0.0002830100000000 ] - [ 0.0015099600000000, 0.0007918700000000, 0.0010291500000000 ] - [ 0.0011375900000000, -0.0001975800000000, 0.0000851900000000 ] - [ 0.0009490300000000, 0.0000000000000000, 0.0004633600000000 ] - [ 0.0006467800000000, 0.0000000000000000, 0.0000401800000000 ] - [ 0.0015099600000000, -0.0007918700000000, 0.0010291500000000 ] - [ 0.0011375900000000, 0.0001975800000000, 0.0000851900000000 ] - [ -0.0111598800000000, 0.0000000000000000, 0.0040197800000000 ] - [ 0.0003813700000000, 0.0000000000000000, -0.0002330600000000 ] - [ -0.0028344900000000, -0.0005948000000000, -0.0020380900000000 ] - [ 0.0002025400000000, 0.0000745700000000, -0.0003233000000000 ] - [ -0.0028344900000000, 0.0005948000000000, -0.0020380900000000 ] - [ 0.0002025400000000, -0.0000745700000000, -0.0003233000000000 ] - [ -0.0081795700000000, -0.0031336500000000, -0.0034006100000000 ] - [ 0.0012827600000000, -0.0000345600000000, 0.0009582500000000 ] - [ -0.0005263800000000, 0.0000000000000000, 0.0003453800000000 ] - [ 0.0012292700000000, 0.0000000000000000, 0.0009532300000000 ] - [ -0.0081795700000000, 0.0031336500000000, -0.0034006100000000 ] - [ 0.0012827600000000, 0.0000345600000000, 0.0009582500000000 ] - [ 0.0021997200000000, 0.0000000000000000, 0.0026805700000000 ] - [ 0.0035162600000000, 0.0000000000000000, 0.0020596600000000 ] - [ 0.0023003300000000, 0.0004741500000000, 0.0021040600000000 ] - [ 0.0033493500000000, -0.0001473500000000, 0.0020438700000000 ] - [ 0.0023003300000000, -0.0004741500000000, 0.0021040600000000 ] - [ 0.0033493500000000, 0.0001473500000000, 0.0020438700000000 ] - [ -0.0108529700000000, 0.0019635900000000, -0.0027166700000000 ] - [ -0.0018082400000000, 0.0001644800000000, -0.0014752800000000 ] - [ -0.0043765800000000, 0.0000000000000000, -0.0023223000000000 ] - [ -0.0019581700000000, 0.0000000000000000, -0.0014391200000000 ] - [ -0.0108529700000000, -0.0019635900000000, -0.0027166700000000 ] - [ -0.0018082400000000, -0.0001644800000000, -0.0014752800000000 ] - [ 0.0002226800000000, 0.0000000000000000, -0.0005574300000000 ] - [ 0.0020466000000000, 0.0000000000000000, 0.0025332800000000 ] - [ 0.0005440800000000, 0.0004856100000000, 0.0006506200000000 ] - [ 0.0019691000000000, -0.0000665600000000, 0.0024813100000000 ] - [ 0.0005440800000000, -0.0004856100000000, 0.0006506200000000 ] - [ 0.0019691000000000, 0.0000665600000000, 0.0024813100000000 ] - [ -0.0055546200000000, 0.0001980100000000, -0.0015623600000000 ] - [ -0.0006307100000000, -0.0000074000000000, -0.0019007000000000 ] - [ -0.0020486900000000, 0.0000000000000000, -0.0026564900000000 ] - [ -0.0007387400000000, 0.0000000000000000, -0.0019209400000000 ] - [ -0.0055546200000000, -0.0001980100000000, -0.0015623600000000 ] - [ -0.0006307100000000, 0.0000074000000000, -0.0019007000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010198700000000, -0.0842238100000000, 0.0006288400000000 ] - [ 0.0010226200000000, -0.0001198900000000, 0.0005807700000000 ] - [ 0.0005195600000000, 0.0195962800000000, -0.0000696800000000 ] - [ 0.0009945800000000, 0.0000645800000000, 0.0005912900000000 ] - [ 0.0015300200000000, 0.0193570200000000, 0.0012265800000000 ] - [ 0.0010529000000000, 0.0000612100000000, 0.0005678300000000 ] - [ -0.0034136200000000, -0.0011414000000000, 0.0030180900000000 ] - [ -0.0010284700000000, -0.0000896600000000, -0.0006467000000000 ] - [ -0.0010271100000000, 0.0022372900000000, -0.0005755600000000 ] - [ -0.0010265200000000, 0.0001809600000000, -0.0005806000000000 ] - [ 0.0013387700000000, -0.0011203500000000, -0.0041679400000000 ] - [ -0.0010245700000000, -0.0000908300000000, -0.0005122700000000 ] - [ -0.0021792200000000, -0.0012164600000000, 0.0035158300000000 ] - [ -0.0003631500000000, -0.0001921800000000, 0.0003742200000000 ] - [ -0.0007098800000000, 0.0018370400000000, 0.0005769200000000 ] - [ -0.0007004800000000, 0.0003917500000000, 0.0005731700000000 ] - [ 0.0007786200000000, -0.0011968400000000, -0.0023540200000000 ] - [ -0.0010370800000000, -0.0001896500000000, 0.0007616100000000 ] - [ 0.0021285900000000, -0.0088495500000000, 0.0011499900000000 ] - [ 0.0021042400000000, -0.0003826100000000, 0.0011576100000000 ] - [ -0.0005777900000000, 0.0041451400000000, -0.0005710600000000 ] - [ 0.0023617700000000, 0.0001955700000000, 0.0010273100000000 ] - [ 0.0047868600000000, 0.0041453800000000, 0.0028748100000000 ] - [ 0.0018612700000000, 0.0002022600000000, 0.0012809800000000 ] - [ -0.0020098400000000, -0.0005233700000000, -0.0008209400000000 ] - [ -0.0023230600000000, -0.0005440500000000, -0.0015507800000000 ] - [ -0.0021102400000000, 0.0009965800000000, -0.0011516200000000 ] - [ -0.0021103700000000, 0.0010874500000000, -0.0011475800000000 ] - [ -0.0022078300000000, -0.0005259900000000, -0.0014815400000000 ] - [ -0.0018982300000000, -0.0005416100000000, -0.0007521100000000 ] - [ 0.0002512900000000, -0.0087777300000000, 0.0018688700000000 ] - [ 0.0002552600000000, -0.0002379000000000, 0.0018610100000000 ] - [ 0.0000696100000000, 0.0042246300000000, -0.0011771300000000 ] - [ 0.0002423300000000, 0.0001156200000000, 0.0018909500000000 ] - [ 0.0004373700000000, 0.0042264200000000, 0.0048773300000000 ] - [ 0.0002649200000000, 0.0001160500000000, 0.0018256000000000 ] - [ 0.0046747100000000, -0.0015690000000000, -0.0025458500000000 ] - [ -0.0007112000000000, -0.0000996100000000, -0.0018032200000000 ] - [ -0.0002542000000000, 0.0025232700000000, -0.0018590000000000 ] - [ -0.0002543100000000, 0.0002123000000000, -0.0018592100000000 ] - [ -0.0051661600000000, -0.0015366800000000, -0.0011579300000000 ] - [ 0.0002051800000000, -0.0001008300000000, -0.0019157600000000 ] - [ 0.0006994200000000, -0.0080258700000000, -0.0005871100000000 ] - [ 0.0007093500000000, -0.0002584600000000, -0.0005706600000000 ] - [ 0.0038671400000000, 0.0037744200000000, 0.0006587400000000 ] - [ 0.0002999600000000, 0.0001220400000000, -0.0003994800000000 ] - [ -0.0024487700000000, 0.0037675900000000, -0.0017916100000000 ] - [ 0.0011169600000000, 0.0001275300000000, -0.0007462500000000 ] - [ 0.0015322900000000, 0.0011761800000000, 0.0006820500000000 ] - [ 0.0015309100000000, 0.0002667400000000, 0.0006776200000000 ] - [ 0.0022680400000000, -0.0006497200000000, 0.0015462500000000 ] - [ 0.0014778000000000, -0.0001184100000000, 0.0007389700000000 ] - [ 0.0007948700000000, -0.0006493100000000, -0.0001815600000000 ] - [ 0.0015843300000000, -0.0001197100000000, 0.0006198800000000 ] - [ -0.0021891000000000, 0.0002229000000000, -0.0006231500000000 ] - [ -0.0006930300000000, 0.0006664300000000, -0.0001053500000000 ] - [ -0.0015321900000000, -0.0004136100000000, -0.0006790500000000 ] - [ -0.0015323200000000, -0.0012924400000000, -0.0006851100000000 ] - [ -0.0008716500000000, 0.0002195200000000, -0.0007358000000000 ] - [ -0.0023665600000000, 0.0006691200000000, -0.0012576300000000 ] - [ 0.0001145700000000, 0.0065438900000000, 0.0005369800000000 ] - [ 0.0001106900000000, 0.0001283700000000, 0.0005529600000000 ] - [ -0.0010786000000000, -0.0013881600000000, 0.0016043000000000 ] - [ 0.0002365400000000, -0.0000679700000000, 0.0006194300000000 ] - [ 0.0012865400000000, -0.0013888100000000, -0.0004907600000000 ] - [ -0.0000129400000000, -0.0000654200000000, 0.0004874000000000 ] - [ -0.0000413500000000, 0.0010752500000000, 0.0003698600000000 ] - [ -0.0003113100000000, 0.0000323400000000, -0.0007018500000000 ] - [ -0.0001081600000000, -0.0017763000000000, -0.0005575600000000 ] - [ -0.0001101200000000, -0.0000628700000000, -0.0005547000000000 ] - [ -0.0001795000000000, 0.0010716400000000, -0.0014674500000000 ] - [ 0.0000900500000000, 0.0000298200000000, -0.0004044200000000 ] - [ -0.0004906800000000, 0.0017542100000000, -0.0002615900000000 ] - [ -0.0004875400000000, 0.0000794100000000, -0.0002550400000000 ] - [ 0.0002917600000000, -0.0008468600000000, -0.0009511200000000 ] - [ -0.0010053400000000, -0.0000868100000000, -0.0002828600000000 ] - [ -0.0012765300000000, -0.0008493400000000, 0.0004345500000000 ] - [ 0.0000229700000000, -0.0000829900000000, -0.0002317700000000 ] - [ -0.0004427400000000, 0.0006714400000000, -0.0000881500000000 ] - [ 0.0009416900000000, 0.0001938700000000, 0.0003409400000000 ] - [ 0.0004922200000000, -0.0013812400000000, 0.0002579000000000 ] - [ 0.0004926400000000, -0.0003910700000000, 0.0002576500000000 ] - [ 0.0014185200000000, 0.0006743500000000, 0.0006026300000000 ] - [ 0.0000376300000000, 0.0001967400000000, 0.0001703600000000 ] - [ -0.0006001000000000, 0.0056435500000000, -0.0006657400000000 ] - [ -0.0006007700000000, 0.0001148800000000, -0.0006626100000000 ] - [ 0.0000764900000000, -0.0013011600000000, -0.0016209400000000 ] - [ -0.0006577600000000, -0.0000606600000000, -0.0006934300000000 ] - [ -0.0012666800000000, -0.0013033700000000, 0.0002934700000000 ] - [ -0.0005470100000000, -0.0000626300000000, -0.0006289700000000 ] - [ 0.0047867300000000, 0.0097665400000000, 0.0055473100000000 ] - [ 0.0006413800000000, 0.0000635100000000, 0.0006793500000000 ] - [ 0.0005953100000000, -0.0037602200000000, 0.0006524600000000 ] - [ 0.0005963500000000, -0.0001268600000000, 0.0006623400000000 ] - [ -0.0033328800000000, 0.0094580000000000, -0.0039331300000000 ] - [ 0.0005612900000000, 0.0000602600000000, 0.0006419800000000 ] - [ 0.0027544300000000, 0.0022199800000000, 0.0017280300000000 ] - [ 0.0027589800000000, 0.0003143700000000, 0.0017353800000000 ] - [ 0.0023535400000000, -0.0009310800000000, 0.0009826400000000 ] - [ 0.0028044200000000, -0.0001605200000000, 0.0017071800000000 ] - [ 0.0031583300000000, -0.0009347800000000, 0.0024859000000000 ] - [ 0.0027093800000000, -0.0001584000000000, 0.0017619700000000 ] - [ -0.0054282800000000, 0.0078049800000000, -0.0016438300000000 ] - [ -0.0028044300000000, 0.0000723000000000, -0.0016899600000000 ] - [ -0.0027461000000000, -0.0029668300000000, -0.0017328500000000 ] - [ -0.0027563000000000, -0.0001577900000000, -0.0017362400000000 ] - [ -0.0003839800000000, 0.0075505700000000, -0.0018925900000000 ] - [ -0.0027114400000000, 0.0000722100000000, -0.0017764300000000 ] - [ 0.0013085200000000, 0.0023068800000000, 0.0021387500000000 ] - [ 0.0013102300000000, 0.0002388900000000, 0.0021350500000000 ] - [ 0.0008325000000000, -0.0011758000000000, 0.0023782700000000 ] - [ 0.0013389500000000, -0.0001174600000000, 0.0021427000000000 ] - [ 0.0017923800000000, -0.0011805800000000, 0.0018983000000000 ] - [ 0.0012847200000000, -0.0001143000000000, 0.0021288900000000 ] - [ -0.0011306100000000, 0.0078695800000000, -0.0044098600000000 ] - [ -0.0012383700000000, 0.0000477800000000, -0.0021200600000000 ] - [ -0.0013141000000000, -0.0028600300000000, -0.0021252300000000 ] - [ -0.0013128400000000, -0.0000954800000000, -0.0021372300000000 ] - [ -0.0014521000000000, 0.0076194100000000, -0.0001509800000000 ] - [ -0.0013856700000000, 0.0000490200000000, -0.0021573800000000 ]- atom: 1 displacement: [ -0.0032259099543045, 0.0000000000000000, 0.0094653845651785 ] forces: - [ 0.0246339600000000, 0.0000000000000000, -0.0626679900000000 ] - [ 0.0007947400000000, 0.0000000000000000, 0.0006948500000000 ] - [ 0.0020689700000000, 0.0004252500000000, -0.0061455600000000 ] - [ 0.0008905100000000, -0.0000203800000000, 0.0006441100000000 ] - [ 0.0020689700000000, -0.0004252500000000, -0.0061455600000000 ] - [ 0.0008905100000000, 0.0000203800000000, 0.0006441100000000 ] - [ -0.0002520300000000, 0.0041987600000000, 0.0057846100000000 ] - [ -0.0008795400000000, -0.0000623300000000, -0.0007064500000000 ] - [ -0.0013560200000000, 0.0000000000000000, 0.0009589700000000 ] - [ -0.0008795800000000, 0.0000000000000000, -0.0006661100000000 ] - [ -0.0002520300000000, -0.0041987600000000, 0.0057846100000000 ] - [ -0.0008795400000000, 0.0000623300000000, -0.0007064500000000 ] - [ -0.0045190700000000, 0.0041153300000000, 0.0002631000000000 ] - [ -0.0005612900000000, -0.0004431200000000, 0.0000688500000000 ] - [ -0.0011878500000000, 0.0000000000000000, 0.0013866600000000 ] - [ -0.0004584000000000, 0.0000000000000000, 0.0003712100000000 ] - [ -0.0045190700000000, -0.0041153300000000, 0.0002631000000000 ] - [ -0.0005612900000000, 0.0004431200000000, 0.0000688500000000 ] - [ 0.0028693500000000, 0.0000000000000000, -0.0015100200000000 ] - [ 0.0010827100000000, 0.0000000000000000, 0.0013211500000000 ] - [ 0.0019537300000000, 0.0003528000000000, 0.0004011100000000 ] - [ 0.0018365000000000, -0.0003709600000000, 0.0010103800000000 ] - [ 0.0019537300000000, -0.0003528000000000, 0.0004011100000000 ] - [ 0.0018365000000000, 0.0003709600000000, 0.0010103800000000 ] - [ -0.0020534600000000, 0.0003132200000000, 0.0001041700000000 ] - [ -0.0014175100000000, -0.0005913300000000, -0.0005832500000000 ] - [ -0.0020428100000000, 0.0000000000000000, -0.0004702000000000 ] - [ -0.0016608100000000, 0.0000000000000000, -0.0010050100000000 ] - [ -0.0020534600000000, -0.0003132200000000, 0.0001041700000000 ] - [ -0.0014175100000000, 0.0005913300000000, -0.0005832500000000 ] - [ -0.0003442400000000, 0.0000000000000000, 0.0149098200000000 ] - [ 0.0002626300000000, 0.0000000000000000, 0.0018741600000000 ] - [ 0.0004986700000000, -0.0033722900000000, 0.0061847100000000 ] - [ 0.0003008900000000, 0.0000150600000000, 0.0018782100000000 ] - [ 0.0004986700000000, 0.0033722900000000, 0.0061847100000000 ] - [ 0.0003008900000000, -0.0000150600000000, 0.0018782100000000 ] - [ -0.0058075300000000, -0.0032827300000000, 0.0012574000000000 ] - [ -0.0003245900000000, 0.0000706300000000, -0.0019298800000000 ] - [ -0.0009557100000000, 0.0000000000000000, -0.0019564100000000 ] - [ -0.0003118200000000, 0.0000000000000000, -0.0019033100000000 ] - [ -0.0058075300000000, 0.0032827300000000, 0.0012574000000000 ] - [ -0.0003245900000000, -0.0000706300000000, -0.0019298800000000 ] - [ 0.0063295900000000, 0.0000000000000000, -0.0038544100000000 ] - [ 0.0001730400000000, 0.0000000000000000, -0.0001821400000000 ] - [ 0.0025029300000000, 0.0018872900000000, -0.0006284900000000 ] - [ 0.0004710100000000, 0.0000948500000000, -0.0004171900000000 ] - [ 0.0025029300000000, -0.0018872900000000, -0.0006284900000000 ] - [ 0.0004710100000000, -0.0000948500000000, -0.0004171900000000 ] - [ -0.0007068900000000, 0.0000000000000000, -0.0003671500000000 ] - [ 0.0015298500000000, 0.0000000000000000, 0.0002716800000000 ] - [ 0.0004074000000000, 0.0003021200000000, 0.0005996700000000 ] - [ 0.0015129300000000, 0.0000581400000000, 0.0003559100000000 ] - [ 0.0004074000000000, -0.0003021200000000, 0.0005996700000000 ] - [ 0.0015129300000000, -0.0000581400000000, 0.0003559100000000 ] - [ -0.0000242500000000, 0.0003094400000000, -0.0012588500000000 ] - [ -0.0013988200000000, -0.0000060000000000, -0.0001597200000000 ] - [ -0.0012457500000000, 0.0000000000000000, -0.0008172800000000 ] - [ -0.0015512800000000, 0.0000000000000000, -0.0001899000000000 ] - [ -0.0000242500000000, -0.0003094400000000, -0.0012588500000000 ] - [ -0.0013988200000000, 0.0000060000000000, -0.0001597200000000 ] - [ -0.0055491400000000, 0.0000000000000000, 0.0062738600000000 ] - [ 0.0003811400000000, 0.0000000000000000, 0.0006678100000000 ] - [ -0.0000621700000000, 0.0007701400000000, 0.0027393100000000 ] - [ 0.0002131400000000, -0.0000033300000000, 0.0005720200000000 ] - [ -0.0000621700000000, -0.0007701400000000, 0.0027393100000000 ] - [ 0.0002131400000000, 0.0000033300000000, 0.0005720200000000 ] - [ 0.0010987800000000, -0.0002358100000000, -0.0049888600000000 ] - [ -0.0002949000000000, 0.0000063000000000, -0.0005236600000000 ] - [ 0.0002551700000000, 0.0000000000000000, -0.0024306800000000 ] - [ -0.0002065500000000, 0.0000000000000000, -0.0005477200000000 ] - [ 0.0010987800000000, 0.0002358100000000, -0.0049888600000000 ] - [ -0.0002949000000000, -0.0000063000000000, -0.0005236600000000 ] - [ 0.0005847400000000, 0.0000000000000000, 0.0005676900000000 ] - [ 0.0005357200000000, 0.0000000000000000, 0.0006624500000000 ] - [ -0.0002782200000000, -0.0004803300000000, 0.0002208600000000 ] - [ -0.0005956300000000, 0.0000610300000000, 0.0000224500000000 ] - [ -0.0002782200000000, 0.0004803300000000, 0.0002208600000000 ] - [ -0.0005956300000000, -0.0000610300000000, 0.0000224500000000 ] - [ -0.0003669100000000, -0.0000301300000000, -0.0002501400000000 ] - [ 0.0008452600000000, -0.0000260700000000, -0.0001847300000000 ] - [ 0.0000514400000000, 0.0000000000000000, -0.0001668300000000 ] - [ 0.0005257600000000, 0.0000000000000000, 0.0000279100000000 ] - [ -0.0003669100000000, 0.0000301300000000, -0.0002501400000000 ] - [ 0.0008452600000000, 0.0000260700000000, -0.0001847300000000 ] - [ -0.0098388600000000, 0.0000000000000000, 0.0161168200000000 ] - [ -0.0004242200000000, 0.0000000000000000, -0.0005765900000000 ] - [ -0.0002746600000000, -0.0011569300000000, -0.0006397000000000 ] - [ -0.0005584800000000, 0.0000411500000000, -0.0006488900000000 ] - [ -0.0002746600000000, 0.0011569300000000, -0.0006397000000000 ] - [ -0.0005584800000000, -0.0000411500000000, -0.0006488900000000 ] - [ 0.0017408800000000, 0.0033427200000000, 0.0077505900000000 ] - [ 0.0006626600000000, -0.0000139500000000, 0.0006425900000000 ] - [ 0.0008226400000000, 0.0000000000000000, 0.0010212300000000 ] - [ 0.0006217500000000, 0.0000000000000000, 0.0006285700000000 ] - [ 0.0017408800000000, -0.0033427200000000, 0.0077505900000000 ] - [ 0.0006626600000000, 0.0000139500000000, 0.0006425900000000 ] - [ 0.0019873900000000, 0.0000000000000000, 0.0009439600000000 ] - [ 0.0024304800000000, 0.0000000000000000, 0.0014545600000000 ] - [ 0.0025039300000000, -0.0004588500000000, 0.0013350200000000 ] - [ 0.0025021900000000, 0.0000366800000000, 0.0015789000000000 ] - [ 0.0025039300000000, 0.0004588500000000, 0.0013350200000000 ] - [ 0.0025021900000000, -0.0000366800000000, 0.0015789000000000 ] - [ -0.0057624300000000, 0.0007419200000000, 0.0005623800000000 ] - [ -0.0025603600000000, 0.0001166400000000, -0.0016644400000000 ] - [ -0.0027960300000000, 0.0000000000000000, -0.0015313200000000 ] - [ -0.0026695400000000, 0.0000000000000000, -0.0016832800000000 ] - [ -0.0057624300000000, -0.0007419200000000, 0.0005623800000000 ] - [ -0.0025603600000000, -0.0001166400000000, -0.0016644400000000 ] - [ 0.0022415300000000, 0.0000000000000000, -0.0009917500000000 ] - [ 0.0013064000000000, 0.0000000000000000, 0.0022172500000000 ] - [ 0.0020685500000000, 0.0007215600000000, 0.0004318400000000 ] - [ 0.0013013800000000, -0.0000163900000000, 0.0022076400000000 ] - [ 0.0020685500000000, -0.0007215600000000, 0.0004318400000000 ] - [ 0.0013013800000000, 0.0000163900000000, 0.0022076400000000 ] - [ -0.0024810300000000, -0.0016157000000000, 0.0037996800000000 ] - [ -0.0012778700000000, -0.0000151100000000, -0.0021691700000000 ] - [ -0.0011914000000000, 0.0000000000000000, -0.0017142100000000 ] - [ -0.0013022200000000, 0.0000000000000000, -0.0021714100000000 ] - [ -0.0024810300000000, 0.0016157000000000, 0.0037996800000000 ] - [ -0.0012778700000000, 0.0000151100000000, -0.0021691700000000 ]- atom: 1 displacement: [ 0.0032259099543045, 0.0000000000000000, -0.0094653845651785 ] forces: - [ -0.0225126300000000, 0.0000000000000000, 0.0637607700000000 ] - [ 0.0012439100000000, 0.0000000000000000, 0.0005055300000000 ] - [ -0.0000413700000000, -0.0004788200000000, 0.0073680700000000 ] - [ 0.0011522700000000, 0.0000186800000000, 0.0005563800000000 ] - [ -0.0000413700000000, 0.0004788200000000, 0.0073680700000000 ] - [ 0.0011522700000000, -0.0000186800000000, 0.0005563800000000 ] - [ -0.0017589900000000, -0.0041427100000000, -0.0069301500000000 ] - [ -0.0011621900000000, 0.0000627400000000, -0.0004926700000000 ] - [ -0.0006887400000000, 0.0000000000000000, -0.0021558100000000 ] - [ -0.0011598700000000, 0.0000000000000000, -0.0005350200000000 ] - [ -0.0017589900000000, 0.0041427100000000, -0.0069301500000000 ] - [ -0.0011621900000000, -0.0000627400000000, -0.0004926700000000 ] - [ 0.0030835500000000, -0.0040713300000000, 0.0008529700000000 ] - [ -0.0008221900000000, 0.0004455000000000, 0.0010885200000000 ] - [ -0.0002194500000000, 0.0000000000000000, -0.0002334600000000 ] - [ -0.0009320900000000, 0.0000000000000000, 0.0007832700000000 ] - [ 0.0030835500000000, 0.0040713300000000, 0.0008529700000000 ] - [ -0.0008221900000000, -0.0004455000000000, 0.0010885200000000 ] - [ 0.0013988800000000, 0.0000000000000000, 0.0038663000000000 ] - [ 0.0031218000000000, 0.0000000000000000, 0.0010139800000000 ] - [ 0.0022752400000000, -0.0003742700000000, 0.0019409600000000 ] - [ 0.0023871200000000, 0.0003670300000000, 0.0013175300000000 ] - [ 0.0022752400000000, 0.0003742700000000, 0.0019409600000000 ] - [ 0.0023871200000000, -0.0003670300000000, 0.0013175300000000 ] - [ -0.0021653800000000, -0.0003147600000000, -0.0024346100000000 ] - [ -0.0028154400000000, 0.0005958100000000, -0.0017405400000000 ] - [ -0.0021749300000000, 0.0000000000000000, -0.0018599200000000 ] - [ -0.0025574600000000, 0.0000000000000000, -0.0013190800000000 ] - [ -0.0021653800000000, 0.0003147600000000, -0.0024346100000000 ] - [ -0.0028154400000000, -0.0005958100000000, -0.0017405400000000 ] - [ 0.0008460400000000, 0.0000000000000000, -0.0113794500000000 ] - [ 0.0002511100000000, 0.0000000000000000, 0.0018111800000000 ] - [ 0.0000055800000000, 0.0034030400000000, -0.0025059800000000 ] - [ 0.0002094500000000, -0.0000200400000000, 0.0018105000000000 ] - [ 0.0000055800000000, -0.0034030400000000, -0.0025059800000000 ] - [ 0.0002094500000000, 0.0000200400000000, 0.0018105000000000 ] - [ 0.0053544600000000, 0.0033021100000000, -0.0049561700000000 ] - [ -0.0001738600000000, -0.0000624500000000, -0.0017600200000000 ] - [ 0.0004480500000000, 0.0000000000000000, -0.0017284500000000 ] - [ -0.0001868700000000, 0.0000000000000000, -0.0017820600000000 ] - [ 0.0053544600000000, -0.0033021100000000, -0.0049561700000000 ] - [ -0.0001738600000000, 0.0000624500000000, -0.0017600200000000 ] - [ -0.0049698400000000, 0.0000000000000000, 0.0026899200000000 ] - [ 0.0012229600000000, 0.0000000000000000, -0.0009687400000000 ] - [ -0.0011388500000000, -0.0018938000000000, -0.0005184600000000 ] - [ 0.0009311400000000, -0.0000960400000000, -0.0007381300000000 ] - [ -0.0011388500000000, 0.0018938000000000, -0.0005184600000000 ] - [ 0.0009311400000000, 0.0000960400000000, -0.0007381300000000 ] - [ 0.0037909400000000, 0.0000000000000000, 0.0017313800000000 ] - [ 0.0015240400000000, 0.0000000000000000, 0.0010744500000000 ] - [ 0.0026599100000000, -0.0003064500000000, 0.0007546000000000 ] - [ 0.0015393000000000, -0.0000596900000000, 0.0009977600000000 ] - [ 0.0026599100000000, 0.0003064500000000, 0.0007546000000000 ] - [ 0.0015393000000000, 0.0000596900000000, 0.0009977600000000 ] - [ -0.0030379600000000, -0.0003067500000000, -0.0000924900000000 ] - [ -0.0016696900000000, 0.0000078400000000, -0.0012066500000000 ] - [ -0.0018149500000000, 0.0000000000000000, -0.0005334100000000 ] - [ -0.0015141300000000, 0.0000000000000000, -0.0011723400000000 ] - [ -0.0030379600000000, 0.0003067500000000, -0.0000924900000000 ] - [ -0.0016696900000000, -0.0000078400000000, -0.0012066500000000 ] - [ 0.0059934600000000, 0.0000000000000000, -0.0052580200000000 ] - [ -0.0001581500000000, 0.0000000000000000, 0.0004454000000000 ] - [ 0.0002718900000000, -0.0007816600000000, -0.0016339600000000 ] - [ 0.0000086900000000, 0.0000016600000000, 0.0005404800000000 ] - [ 0.0002718900000000, 0.0007816600000000, -0.0016339600000000 ] - [ 0.0000086900000000, -0.0000016600000000, 0.0005404800000000 ] - [ -0.0013154800000000, 0.0002200900000000, 0.0038803900000000 ] - [ 0.0000727100000000, -0.0000032600000000, -0.0005923900000000 ] - [ -0.0004761400000000, 0.0000000000000000, 0.0013137100000000 ] - [ -0.0000140300000000, 0.0000000000000000, -0.0005699600000000 ] - [ -0.0013154800000000, -0.0002200900000000, 0.0038803900000000 ] - [ 0.0000727100000000, 0.0000032600000000, -0.0005923900000000 ] - [ -0.0015725800000000, 0.0000000000000000, -0.0010876200000000 ] - [ -0.0015251600000000, 0.0000000000000000, -0.0011911500000000 ] - [ -0.0007174100000000, 0.0004725200000000, -0.0007431300000000 ] - [ -0.0003936300000000, -0.0000604300000000, -0.0005544700000000 ] - [ -0.0007174100000000, -0.0004725200000000, -0.0007431300000000 ] - [ -0.0003936300000000, 0.0000604300000000, -0.0005544700000000 ] - [ 0.0013564400000000, 0.0000286800000000, 0.0007864400000000 ] - [ 0.0001526200000000, 0.0000239000000000, 0.0007188600000000 ] - [ 0.0009397300000000, 0.0000000000000000, 0.0007021100000000 ] - [ 0.0004694300000000, 0.0000000000000000, 0.0005058600000000 ] - [ 0.0013564400000000, -0.0000286800000000, 0.0007864400000000 ] - [ 0.0001526200000000, -0.0000239000000000, 0.0007188600000000 ] - [ 0.0081520700000000, 0.0000000000000000, -0.0166418200000000 ] - [ -0.0007421300000000, 0.0000000000000000, -0.0007615900000000 ] - [ -0.0008881700000000, 0.0011468200000000, -0.0006907800000000 ] - [ -0.0006067900000000, -0.0000420400000000, -0.0006894600000000 ] - [ -0.0008881700000000, -0.0011468200000000, -0.0006907800000000 ] - [ -0.0006067900000000, 0.0000420400000000, -0.0006894600000000 ] - [ -0.0004912900000000, -0.0032137500000000, -0.0063470700000000 ] - [ 0.0004986300000000, 0.0000161400000000, 0.0006928900000000 ] - [ 0.0003399400000000, 0.0000000000000000, 0.0003151900000000 ] - [ 0.0005360200000000, 0.0000000000000000, 0.0007051900000000 ] - [ -0.0004912900000000, 0.0032137500000000, -0.0063470700000000 ] - [ 0.0004986300000000, -0.0000161400000000, 0.0006928900000000 ] - [ 0.0035195500000000, 0.0000000000000000, 0.0025035500000000 ] - [ 0.0030849000000000, 0.0000000000000000, 0.0019911900000000 ] - [ 0.0030063700000000, 0.0004535600000000, 0.0021056200000000 ] - [ 0.0030110600000000, -0.0000391500000000, 0.0018621600000000 ] - [ 0.0030063700000000, -0.0004535600000000, 0.0021056200000000 ] - [ 0.0030110600000000, 0.0000391500000000, 0.0018621600000000 ] - [ 0.0002170500000000, -0.0007187300000000, -0.0040223300000000 ] - [ -0.0029568500000000, -0.0001159000000000, -0.0017764900000000 ] - [ -0.0027132900000000, 0.0000000000000000, -0.0019130300000000 ] - [ -0.0028491000000000, 0.0000000000000000, -0.0017579700000000 ] - [ 0.0002170500000000, 0.0007187300000000, -0.0040223300000000 ] - [ -0.0029568500000000, 0.0001159000000000, -0.0017764900000000 ] - [ 0.0003629100000000, 0.0000000000000000, 0.0052402800000000 ] - [ 0.0013070300000000, 0.0000000000000000, 0.0020379800000000 ] - [ 0.0005373900000000, -0.0007287900000000, 0.0038314900000000 ] - [ 0.0013111200000000, 0.0000159400000000, 0.0020517400000000 ] - [ 0.0005373900000000, 0.0007287900000000, 0.0038314900000000 ] - [ 0.0013111200000000, -0.0000159400000000, 0.0020517400000000 ] - [ -0.0000686500000000, 0.0018901900000000, -0.0083918700000000 ] - [ -0.0013340100000000, 0.0000154200000000, -0.0020919600000000 ] - [ -0.0014295800000000, 0.0000000000000000, -0.0025539700000000 ] - [ -0.0013092500000000, 0.0000000000000000, -0.0020895600000000 ] - [ -0.0000686500000000, -0.0018901900000000, -0.0083918700000000 ] - [ -0.0013340100000000, -0.0000154200000000, -0.0020919600000000 ]- atom: 13 displacement: [ 0.0099999760773639, 0.0000000000000000, -0.0000218735491084 ] forces: - [ 0.0031271200000000, -0.0014852600000000, -0.0027265500000000 ] - [ 0.0025390300000000, 0.0003384500000000, 0.0012457000000000 ] - [ 0.0031271200000000, 0.0014852600000000, -0.0027265500000000 ] - [ 0.0025390300000000, -0.0003384500000000, 0.0012457000000000 ] - [ -0.0000654000000000, 0.0000000000000000, -0.0003016500000000 ] - [ 0.0020816200000000, 0.0000000000000000, 0.0011973300000000 ] - [ 0.0083773500000000, 0.0000000000000000, 0.0086406300000000 ] - [ 0.0005012000000000, 0.0000000000000000, -0.0006218700000000 ] - [ 0.0008654900000000, 0.0031671000000000, 0.0019787200000000 ] - [ 0.0001098100000000, -0.0004085400000000, -0.0004426500000000 ] - [ 0.0008654900000000, -0.0031671000000000, 0.0019787200000000 ] - [ 0.0001098100000000, 0.0004085400000000, -0.0004426500000000 ] - [ -0.0732633200000000, 0.0000000000000000, -0.0144484200000000 ] - [ 0.0006881200000000, 0.0000000000000000, 0.0009261200000000 ] - [ -0.0095507800000000, -0.0009233400000000, -0.0035053400000000 ] - [ 0.0006406100000000, -0.0000017200000000, 0.0009483100000000 ] - [ -0.0095507800000000, 0.0009233400000000, -0.0035053400000000 ] - [ 0.0006406100000000, 0.0000017200000000, 0.0009483100000000 ] - [ -0.0045294600000000, -0.0027003900000000, 0.0038216000000000 ] - [ 0.0030781500000000, -0.0000025500000000, 0.0017723400000000 ] - [ -0.0045294600000000, 0.0027003900000000, 0.0038216000000000 ] - [ 0.0030781500000000, 0.0000025500000000, 0.0017723400000000 ] - [ 0.0005082400000000, 0.0000000000000000, 0.0007626900000000 ] - [ 0.0030013800000000, 0.0000000000000000, 0.0017643600000000 ] - [ -0.0009975900000000, 0.0000000000000000, -0.0002908700000000 ] - [ -0.0006626800000000, 0.0000000000000000, -0.0086336800000000 ] - [ -0.0010785700000000, 0.0001266700000000, -0.0003186300000000 ] - [ -0.0030227600000000, -0.0006767300000000, -0.0027619500000000 ] - [ -0.0010785700000000, -0.0001266700000000, -0.0003186300000000 ] - [ -0.0030227600000000, 0.0006767300000000, -0.0027619500000000 ] - [ -0.0017203300000000, -0.0014040000000000, 0.0025108300000000 ] - [ 0.0014859000000000, 0.0000756400000000, 0.0021929800000000 ] - [ -0.0017203300000000, 0.0014040000000000, 0.0025108300000000 ] - [ 0.0014859000000000, -0.0000756400000000, 0.0021929800000000 ] - [ -0.0011780600000000, 0.0000000000000000, 0.0019846500000000 ] - [ 0.0013222700000000, 0.0000000000000000, 0.0021549800000000 ] - [ 0.0004415300000000, 0.0000000000000000, -0.0016390600000000 ] - [ 0.0003552600000000, 0.0000000000000000, -0.0008146700000000 ] - [ 0.0001361000000000, 0.0003467200000000, -0.0016674700000000 ] - [ -0.0001089500000000, -0.0006390700000000, -0.0011167100000000 ] - [ 0.0001361000000000, -0.0003467200000000, -0.0016674700000000 ] - [ -0.0001089500000000, 0.0006390700000000, -0.0011167100000000 ] - [ 0.0022534100000000, -0.0003289300000000, -0.0002801700000000 ] - [ 0.0053222200000000, 0.0047718600000000, 0.0018824300000000 ] - [ 0.0022534100000000, 0.0003289300000000, -0.0002801700000000 ] - [ 0.0053222200000000, -0.0047718600000000, 0.0018824300000000 ] - [ 0.0020134500000000, 0.0000000000000000, -0.0003550300000000 ] - [ 0.0009531600000000, 0.0000000000000000, 0.0000959700000000 ] - [ 0.0038287400000000, -0.0002736400000000, 0.0015711600000000 ] - [ 0.0004626600000000, 0.0000121000000000, 0.0002827900000000 ] - [ 0.0038287400000000, 0.0002736400000000, 0.0015711600000000 ] - [ 0.0004626600000000, -0.0000121000000000, 0.0002827900000000 ] - [ 0.0029643600000000, 0.0000000000000000, 0.0011387300000000 ] - [ 0.0005238100000000, 0.0000000000000000, 0.0002903800000000 ] - [ -0.0023709400000000, 0.0000000000000000, -0.0010005600000000 ] - [ -0.0009808000000000, 0.0000000000000000, 0.0003637100000000 ] - [ -0.0022565600000000, -0.0000479000000000, -0.0010144200000000 ] - [ -0.0007536600000000, 0.0002131400000000, -0.0005991200000000 ] - [ -0.0022565600000000, 0.0000479000000000, -0.0010144200000000 ] - [ -0.0007536600000000, -0.0002131400000000, -0.0005991200000000 ] - [ -0.0005063100000000, 0.0001564100000000, 0.0005580200000000 ] - [ -0.0004857400000000, -0.0002535000000000, -0.0006887500000000 ] - [ -0.0005063100000000, -0.0001564100000000, 0.0005580200000000 ] - [ -0.0004857400000000, 0.0002535000000000, -0.0006887500000000 ] - [ -0.0001056500000000, 0.0000000000000000, 0.0005086700000000 ] - [ 0.0000464800000000, 0.0000000000000000, 0.0002836300000000 ] - [ 0.0045759900000000, 0.0000000000000000, 0.0032134600000000 ] - [ -0.0007153600000000, 0.0000000000000000, -0.0008114900000000 ] - [ 0.0014289000000000, -0.0006557200000000, -0.0004074800000000 ] - [ -0.0006750500000000, 0.0000318500000000, -0.0007993300000000 ] - [ 0.0014289000000000, 0.0006557200000000, -0.0004074800000000 ] - [ -0.0006750500000000, -0.0000318500000000, -0.0007993300000000 ] - [ 0.0149107400000000, 0.0115206200000000, 0.0061812700000000 ] - [ -0.0013210700000000, 0.0000047000000000, -0.0003450500000000 ] - [ 0.0149107400000000, -0.0115206200000000, 0.0061812700000000 ] - [ -0.0013210700000000, -0.0000047000000000, -0.0003450500000000 ] - [ 0.0010129700000000, 0.0000000000000000, -0.0000219900000000 ] - [ -0.0012419800000000, 0.0000000000000000, -0.0003187400000000 ] - [ -0.0004274700000000, 0.0000000000000000, 0.0001160000000000 ] - [ 0.0111695700000000, 0.0000000000000000, -0.0042421900000000 ] - [ -0.0003759100000000, -0.0000520600000000, 0.0001146500000000 ] - [ 0.0008746300000000, 0.0014866900000000, 0.0010097400000000 ] - [ -0.0003759100000000, 0.0000520600000000, 0.0001146500000000 ] - [ 0.0008746300000000, -0.0014866900000000, 0.0010097400000000 ] - [ 0.0066525500000000, -0.0013266900000000, -0.0002775500000000 ] - [ -0.0014752200000000, -0.0000993700000000, -0.0009734100000000 ] - [ 0.0066525500000000, 0.0013266900000000, -0.0002775500000000 ] - [ -0.0014752200000000, 0.0000993700000000, -0.0009734100000000 ] - [ 0.0012911900000000, 0.0000000000000000, 0.0002440500000000 ] - [ -0.0014352400000000, 0.0000000000000000, -0.0010145400000000 ] - [ -0.0009980700000000, 0.0000000000000000, 0.0006163300000000 ] - [ -0.0013501300000000, 0.0000000000000000, -0.0001102900000000 ] - [ -0.0002764500000000, -0.0008316800000000, 0.0007731400000000 ] - [ -0.0004643900000000, 0.0006832000000000, 0.0003212800000000 ] - [ -0.0002764500000000, 0.0008316800000000, 0.0007731400000000 ] - [ -0.0004643900000000, -0.0006832000000000, 0.0003212800000000 ] - [ 0.0013221600000000, 0.0002369100000000, 0.0010904800000000 ] - [ 0.0014411300000000, -0.0014644700000000, 0.0023352600000000 ] - [ 0.0013221600000000, -0.0002369100000000, 0.0010904800000000 ] - [ 0.0014411300000000, 0.0014644700000000, 0.0023352600000000 ] - [ 0.0015398100000000, 0.0000000000000000, 0.0013202900000000 ] - [ 0.0026604200000000, 0.0000000000000000, 0.0019425700000000 ] - [ 0.0083555700000000, 0.0000000000000000, -0.0061797300000000 ] - [ -0.0037437100000000, 0.0000000000000000, -0.0021084800000000 ] - [ -0.0000736900000000, -0.0000528300000000, -0.0007485700000000 ] - [ -0.0036809800000000, 0.0000392000000000, -0.0021002200000000 ] - [ -0.0000736900000000, 0.0000528300000000, -0.0007485700000000 ] - [ -0.0036809800000000, -0.0000392000000000, -0.0021002200000000 ] - [ 0.0014903500000000, 0.0002933300000000, 0.0009862400000000 ] - [ 0.0007896500000000, -0.0001029600000000, 0.0019955300000000 ] - [ 0.0014903500000000, -0.0002933300000000, 0.0009862400000000 ] - [ 0.0007896500000000, 0.0001029600000000, 0.0019955300000000 ] - [ 0.0016659200000000, 0.0000000000000000, 0.0015686300000000 ] - [ 0.0009703100000000, 0.0000000000000000, 0.0019580500000000 ] - [ -0.0009913300000000, 0.0000000000000000, -0.0019307900000000 ] - [ -0.0018970700000000, 0.0000000000000000, -0.0025588600000000 ] - [ -0.0009362700000000, -0.0004804200000000, -0.0021581300000000 ] - [ -0.0017648300000000, 0.0001526400000000, -0.0024851400000000 ] - [ -0.0009362700000000, 0.0004804200000000, -0.0021581300000000 ] - [ -0.0017648300000000, -0.0001526400000000, -0.0024851400000000 ]- atom: 13 displacement: [ -0.0099999760773639, 0.0000000000000000, 0.0000218735491084 ] forces: - [ -0.0010781500000000, 0.0014933700000000, 0.0039102100000000 ] - [ -0.0004973300000000, -0.0003380400000000, -0.0000387000000000 ] - [ -0.0010781500000000, -0.0014933700000000, 0.0039102100000000 ] - [ -0.0004973300000000, 0.0003380400000000, -0.0000387000000000 ] - [ 0.0021143000000000, 0.0000000000000000, 0.0015093400000000 ] - [ -0.0000372700000000, 0.0000000000000000, 0.0000126700000000 ] - [ -0.0102955000000000, 0.0000000000000000, -0.0097073500000000 ] - [ -0.0025455500000000, 0.0000000000000000, -0.0005872300000000 ] - [ -0.0028936100000000, -0.0031466700000000, -0.0031774200000000 ] - [ -0.0021536100000000, 0.0004096600000000, -0.0007668400000000 ] - [ -0.0028936100000000, 0.0031466700000000, -0.0031774200000000 ] - [ -0.0021536100000000, -0.0004096600000000, -0.0007668400000000 ] - [ 0.0722129100000000, 0.0000000000000000, 0.0156531800000000 ] - [ -0.0020617800000000, 0.0000000000000000, 0.0002255900000000 ] - [ 0.0081452900000000, 0.0008950000000000, 0.0046538500000000 ] - [ -0.0020112500000000, 0.0000051000000000, 0.0002051500000000 ] - [ 0.0081452900000000, -0.0008950000000000, 0.0046538500000000 ] - [ -0.0020112500000000, -0.0000051000000000, 0.0002051500000000 ] - [ 0.0087742900000000, 0.0027174800000000, -0.0014704900000000 ] - [ 0.0011618100000000, 0.0000044700000000, 0.0005533200000000 ] - [ 0.0087742900000000, -0.0027174800000000, -0.0014704900000000 ] - [ 0.0011618100000000, -0.0000044700000000, 0.0005533200000000 ] - [ 0.0037268600000000, 0.0000000000000000, 0.0015628100000000 ] - [ 0.0012355500000000, 0.0000000000000000, 0.0005588500000000 ] - [ -0.0032434800000000, 0.0000000000000000, -0.0020299200000000 ] - [ -0.0036061700000000, 0.0000000000000000, 0.0063502700000000 ] - [ -0.0031615100000000, -0.0001230800000000, -0.0020061700000000 ] - [ -0.0012188700000000, 0.0006753500000000, 0.0004458800000000 ] - [ -0.0031615100000000, 0.0001230800000000, -0.0020061700000000 ] - [ -0.0012188700000000, -0.0006753500000000, 0.0004458800000000 ] - [ 0.0022612500000000, 0.0014463600000000, 0.0011913300000000 ] - [ -0.0009414600000000, -0.0000765600000000, 0.0015276300000000 ] - [ 0.0022612500000000, -0.0014463600000000, 0.0011913300000000 ] - [ -0.0009414600000000, 0.0000765600000000, 0.0015276300000000 ] - [ 0.0017212500000000, 0.0000000000000000, 0.0017368500000000 ] - [ -0.0007858000000000, 0.0000000000000000, 0.0015578700000000 ] - [ -0.0009893400000000, 0.0000000000000000, -0.0020741200000000 ] - [ -0.0008954400000000, 0.0000000000000000, -0.0028999500000000 ] - [ -0.0006788600000000, -0.0003469600000000, -0.0020454800000000 ] - [ -0.0004257300000000, 0.0006384300000000, -0.0025959400000000 ] - [ -0.0006788600000000, 0.0003469600000000, -0.0020454800000000 ] - [ -0.0004257300000000, -0.0006384300000000, -0.0025959400000000 ] - [ -0.0008815300000000, 0.0003295000000000, -0.0008753000000000 ] - [ -0.0039634300000000, -0.0048059700000000, -0.0030537600000000 ] - [ -0.0008815300000000, -0.0003295000000000, -0.0008753000000000 ] - [ -0.0039634300000000, 0.0048059700000000, -0.0030537600000000 ] - [ -0.0006435500000000, 0.0000000000000000, -0.0008027200000000 ] - [ 0.0004300400000000, 0.0000000000000000, -0.0012493400000000 ] - [ -0.0007696300000000, 0.0002761300000000, -0.0002249500000000 ] - [ 0.0026032400000000, -0.0000110100000000, 0.0010706400000000 ] - [ -0.0007696300000000, -0.0002761300000000, -0.0002249500000000 ] - [ 0.0026032400000000, 0.0000110100000000, 0.0010706400000000 ] - [ 0.0001007100000000, 0.0000000000000000, 0.0002166000000000 ] - [ 0.0025428700000000, 0.0000000000000000, 0.0010627400000000 ] - [ -0.0006966400000000, 0.0000000000000000, -0.0003523900000000 ] - [ -0.0020790500000000, 0.0000000000000000, -0.0017303900000000 ] - [ -0.0008093400000000, 0.0000494500000000, -0.0003390500000000 ] - [ -0.0023104900000000, -0.0002139300000000, -0.0007617500000000 ] - [ -0.0008093400000000, -0.0000494500000000, -0.0003390500000000 ] - [ -0.0023104900000000, 0.0002139300000000, -0.0007617500000000 ] - [ 0.0007129600000000, -0.0001570100000000, 0.0005532400000000 ] - [ 0.0006891200000000, 0.0002528700000000, 0.0018049700000000 ] - [ 0.0007129600000000, 0.0001570100000000, 0.0005532400000000 ] - [ 0.0006891200000000, -0.0002528700000000, 0.0018049700000000 ] - [ 0.0003088500000000, 0.0000000000000000, 0.0006039400000000 ] - [ 0.0001589100000000, 0.0000000000000000, 0.0008275000000000 ] - [ -0.0048084000000000, 0.0000000000000000, -0.0043093000000000 ] - [ 0.0005078300000000, 0.0000000000000000, -0.0003011200000000 ] - [ -0.0016263400000000, 0.0006565000000000, -0.0007150200000000 ] - [ 0.0004690900000000, -0.0000287600000000, -0.0003136600000000 ] - [ -0.0016263400000000, -0.0006565000000000, -0.0007150200000000 ] - [ 0.0004690900000000, 0.0000287600000000, -0.0003136600000000 ] - [ -0.0160479800000000, -0.0118588200000000, -0.0068993800000000 ] - [ 0.0003486100000000, -0.0000036200000000, -0.0001682000000000 ] - [ -0.0160479800000000, 0.0118588200000000, -0.0068993800000000 ] - [ 0.0003486100000000, 0.0000036200000000, -0.0001682000000000 ] - [ -0.0019838600000000, 0.0000000000000000, -0.0004902500000000 ] - [ 0.0002762800000000, 0.0000000000000000, -0.0001972300000000 ] - [ 0.0013957300000000, 0.0000000000000000, 0.0003988300000000 ] - [ -0.0110092000000000, 0.0000000000000000, 0.0051479300000000 ] - [ 0.0013470200000000, 0.0000528200000000, 0.0004020900000000 ] - [ 0.0000984200000000, -0.0014942900000000, -0.0004977300000000 ] - [ 0.0013470200000000, -0.0000528200000000, 0.0004020900000000 ] - [ 0.0000984200000000, 0.0014942900000000, -0.0004977300000000 ] - [ -0.0075482300000000, 0.0010262100000000, -0.0009999500000000 ] - [ 0.0002921800000000, 0.0000988500000000, -0.0003638100000000 ] - [ -0.0075482300000000, -0.0010262100000000, -0.0009999500000000 ] - [ 0.0002921800000000, -0.0000988500000000, -0.0003638100000000 ] - [ -0.0024753200000000, 0.0000000000000000, -0.0015785300000000 ] - [ 0.0002470800000000, 0.0000000000000000, -0.0003209800000000 ] - [ 0.0021841000000000, 0.0000000000000000, 0.0007260600000000 ] - [ 0.0025468700000000, 0.0000000000000000, 0.0014477800000000 ] - [ 0.0014614900000000, 0.0008309400000000, 0.0005622300000000 ] - [ 0.0016511500000000, -0.0006856600000000, 0.0010134000000000 ] - [ 0.0014614900000000, -0.0008309400000000, 0.0005622300000000 ] - [ 0.0016511500000000, 0.0006856600000000, 0.0010134000000000 ] - [ 0.0041760700000000, -0.0002356700000000, 0.0023517000000000 ] - [ 0.0040683900000000, 0.0014676400000000, 0.0011072900000000 ] - [ 0.0041760700000000, 0.0002356700000000, 0.0023517000000000 ] - [ 0.0040683900000000, -0.0014676400000000, 0.0011072900000000 ] - [ 0.0039635800000000, 0.0000000000000000, 0.0021191500000000 ] - [ 0.0028440800000000, 0.0000000000000000, 0.0014984200000000 ] - [ -0.0136935800000000, 0.0000000000000000, 0.0024481200000000 ] - [ -0.0017593600000000, 0.0000000000000000, -0.0013345300000000 ] - [ -0.0054320400000000, 0.0000452800000000, -0.0026889600000000 ] - [ -0.0018222600000000, -0.0000416600000000, -0.0013448000000000 ] - [ -0.0054320400000000, -0.0000452800000000, -0.0026889600000000 ] - [ -0.0018222600000000, 0.0000416600000000, -0.0013448000000000 ] - [ 0.0011267900000000, -0.0002977100000000, 0.0032675100000000 ] - [ 0.0018228300000000, 0.0001032300000000, 0.0022645200000000 ] - [ 0.0011267900000000, 0.0002977100000000, 0.0032675100000000 ] - [ 0.0018228300000000, -0.0001032300000000, 0.0022645200000000 ] - [ 0.0009435800000000, 0.0000000000000000, 0.0026969100000000 ] - [ 0.0016424300000000, 0.0000000000000000, 0.0023029200000000 ] - [ -0.0016072600000000, 0.0000000000000000, -0.0023158900000000 ] - [ -0.0007157700000000, 0.0000000000000000, -0.0017060700000000 ] - [ -0.0016765700000000, 0.0004868500000000, -0.0020990700000000 ] - [ -0.0008475500000000, -0.0001551600000000, -0.0017770400000000 ] - [ -0.0016765700000000, -0.0004868500000000, -0.0020990700000000 ] - [ -0.0008475500000000, 0.0001551600000000, -0.0017770400000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008962700000000, -0.0012060500000000, 0.0042565900000000 ] - [ 0.0015853900000000, -0.0001884800000000, 0.0003199600000000 ] - [ 0.0029527100000000, -0.0012118500000000, -0.0030813600000000 ] - [ 0.0004619700000000, -0.0001929000000000, 0.0008759000000000 ] - [ 0.0010297700000000, 0.0018401900000000, 0.0005941800000000 ] - [ 0.0010251700000000, 0.0003921500000000, 0.0005976300000000 ] - [ -0.0010548300000000, -0.0080311600000000, -0.0005935400000000 ] - [ -0.0010218900000000, -0.0002560400000000, -0.0005971500000000 ] - [ 0.0010936700000000, 0.0037764100000000, 0.0021250700000000 ] - [ -0.0011330100000000, 0.0001247600000000, -0.0005338300000000 ] - [ -0.0031249500000000, 0.0037649600000000, -0.0033082900000000 ] - [ -0.0009157100000000, 0.0001266300000000, -0.0006590000000000 ] - [ -0.0003114100000000, -0.0843776500000000, 0.0010191200000000 ] - [ -0.0006806900000000, -0.0000830600000000, 0.0005840600000000 ] - [ 0.0002199200000000, 0.0147992700000000, 0.0017018500000000 ] - [ -0.0006789600000000, 0.0000451200000000, 0.0005947200000000 ] - [ -0.0016033800000000, 0.0146037100000000, -0.0005330200000000 ] - [ -0.0006847100000000, 0.0000416600000000, 0.0005754600000000 ] - [ -0.0015296100000000, -0.0007839100000000, 0.0095355200000000 ] - [ 0.0021001000000000, -0.0000596500000000, 0.0011616700000000 ] - [ 0.0057786900000000, -0.0007818300000000, -0.0072723600000000 ] - [ 0.0021348600000000, -0.0000632300000000, 0.0011611200000000 ] - [ 0.0021177700000000, 0.0023398500000000, 0.0011631100000000 ] - [ 0.0021177000000000, 0.0001316400000000, 0.0011584700000000 ] - [ -0.0021145500000000, -0.0005429100000000, -0.0011578100000000 ] - [ -0.0021089500000000, -0.0008023000000000, -0.0011787900000000 ] - [ -0.0019547300000000, 0.0002642200000000, -0.0010649900000000 ] - [ -0.0027114300000000, 0.0005203500000000, -0.0005958300000000 ] - [ -0.0022810300000000, 0.0002606500000000, -0.0012521900000000 ] - [ -0.0015307800000000, 0.0005273800000000, -0.0017127100000000 ] - [ -0.0000632400000000, -0.0008209900000000, 0.0005998300000000 ] - [ 0.0003243900000000, -0.0001222000000000, 0.0019151400000000 ] - [ 0.0005791200000000, -0.0008816200000000, 0.0030791600000000 ] - [ 0.0001936100000000, -0.0001224100000000, 0.0017954500000000 ] - [ 0.0002565000000000, 0.0023193000000000, 0.0018583900000000 ] - [ 0.0002533700000000, 0.0002551600000000, 0.0018501200000000 ] - [ -0.0002582700000000, -0.0007306700000000, -0.0018541000000000 ] - [ -0.0002578600000000, -0.0016909000000000, -0.0018531700000000 ] - [ -0.0000622300000000, 0.0003416000000000, -0.0017543600000000 ] - [ -0.0006854800000000, 0.0008563100000000, -0.0024595700000000 ] - [ -0.0004565900000000, 0.0003450400000000, -0.0019465300000000 ] - [ 0.0001796400000000, 0.0008578500000000, -0.0012461800000000 ] - [ 0.0003544300000000, -0.0003860400000000, -0.0005193900000000 ] - [ 0.0054625400000000, -0.0011756900000000, -0.0038168300000000 ] - [ 0.0010122800000000, -0.0003873600000000, -0.0006527400000000 ] - [ -0.0040963500000000, -0.0012042000000000, 0.0026844300000000 ] - [ 0.0006813600000000, 0.0007963100000000, -0.0005892200000000 ] - [ 0.0006849200000000, 0.0019892700000000, -0.0005842800000000 ] - [ 0.0019502400000000, 0.0003232400000000, -0.0003733500000000 ] - [ 0.0015679300000000, 0.0000541900000000, 0.0007066300000000 ] - [ 0.0010974600000000, 0.0003289900000000, 0.0017416200000000 ] - [ 0.0014930300000000, 0.0000520300000000, 0.0006412600000000 ] - [ 0.0015291900000000, -0.0007910600000000, 0.0006760200000000 ] - [ 0.0015293100000000, -0.0000996500000000, 0.0006752700000000 ] - [ -0.0015322400000000, 0.0001186700000000, -0.0006736600000000 ] - [ -0.0015311200000000, 0.0017150800000000, -0.0006690300000000 ] - [ -0.0015849700000000, -0.0000596100000000, -0.0006856000000000 ] - [ -0.0014203700000000, -0.0008251300000000, -0.0000993400000000 ] - [ -0.0014757500000000, -0.0000625100000000, -0.0006631900000000 ] - [ -0.0016382400000000, -0.0008235400000000, -0.0012552700000000 ] - [ 0.0003786300000000, 0.0001754500000000, 0.0005354400000000 ] - [ -0.0014059200000000, 0.0001493600000000, -0.0005782900000000 ] - [ -0.0001541000000000, 0.0001760800000000, 0.0005734400000000 ] - [ 0.0016410600000000, 0.0001432900000000, 0.0016922400000000 ] - [ 0.0001088500000000, -0.0003098900000000, 0.0005549600000000 ] - [ 0.0001146600000000, -0.0004318300000000, 0.0005557400000000 ] - [ -0.0001221600000000, 0.0026992200000000, -0.0005624700000000 ] - [ -0.0001140200000000, 0.0000718600000000, -0.0005548300000000 ] - [ 0.0000033900000000, -0.0011614900000000, -0.0028280300000000 ] - [ -0.0001315900000000, -0.0000390400000000, -0.0005756000000000 ] - [ -0.0002299400000000, -0.0011626600000000, 0.0016979600000000 ] - [ -0.0000917000000000, -0.0000414100000000, -0.0005364800000000 ] - [ 0.0122064000000000, 0.0213236900000000, 0.0097934200000000 ] - [ -0.0004275900000000, 0.0000225900000000, -0.0002381700000000 ] - [ -0.0137590200000000, 0.0220360400000000, -0.0108113500000000 ] - [ -0.0005530800000000, 0.0000204200000000, -0.0002835400000000 ] - [ -0.0004880900000000, -0.0035552200000000, -0.0002617800000000 ] - [ -0.0004855200000000, -0.0000444900000000, -0.0002624500000000 ] - [ 0.0004877900000000, 0.0001575100000000, 0.0002620500000000 ] - [ 0.0004933400000000, 0.0044495800000000, 0.0002497100000000 ] - [ 0.0004451500000000, -0.0000930800000000, 0.0002727000000000 ] - [ 0.0018564200000000, -0.0014759700000000, -0.0007436200000000 ] - [ 0.0005335500000000, -0.0000936000000000, 0.0002520600000000 ] - [ -0.0008603500000000, -0.0014709500000000, 0.0012558000000000 ] - [ 0.0005894400000000, 0.0062225000000000, 0.0005827600000000 ] - [ -0.0006363800000000, 0.0000454300000000, -0.0005757200000000 ] - [ -0.0015456400000000, 0.0065235500000000, -0.0018514700000000 ] - [ -0.0005772100000000, 0.0000473000000000, -0.0007500100000000 ] - [ -0.0006104400000000, -0.0034835800000000, -0.0006617900000000 ] - [ -0.0006089700000000, -0.0000854000000000, -0.0006613700000000 ] - [ 0.0006001800000000, 0.0018922500000000, 0.0006643600000000 ] - [ 0.0006043700000000, 0.0008021200000000, 0.0006578700000000 ] - [ -0.0003596200000000, -0.0010441800000000, 0.0009203700000000 ] - [ 0.0008752000000000, -0.0004440200000000, 0.0006991300000000 ] - [ 0.0015715500000000, -0.0010443700000000, 0.0003993300000000 ] - [ 0.0003357100000000, -0.0004474200000000, 0.0006227200000000 ] - [ 0.0032265700000000, 0.0004110500000000, 0.0019714400000000 ] - [ 0.0027879500000000, 0.0006067800000000, 0.0021695200000000 ] - [ 0.0022952000000000, 0.0004104900000000, 0.0014939000000000 ] - [ 0.0027289200000000, 0.0006174000000000, 0.0012969400000000 ] - [ 0.0027614400000000, -0.0008263000000000, 0.0017303300000000 ] - [ 0.0027634200000000, -0.0007649400000000, 0.0017315900000000 ] - [ -0.0028025100000000, 0.0073542100000000, -0.0016642200000000 ] - [ -0.0027636000000000, 0.0001315100000000, -0.0017327600000000 ] - [ -0.0035608500000000, -0.0017953400000000, -0.0008741500000000 ] - [ -0.0027097600000000, -0.0000715800000000, -0.0017198400000000 ] - [ -0.0019673700000000, -0.0017947100000000, -0.0025933800000000 ] - [ -0.0028152500000000, -0.0000687200000000, -0.0017474700000000 ] - [ 0.0013976200000000, 0.0006017500000000, 0.0026921600000000 ] - [ 0.0012405900000000, 0.0001607600000000, 0.0020285500000000 ] - [ 0.0012312600000000, 0.0006088800000000, 0.0015810700000000 ] - [ 0.0013807100000000, 0.0001603600000000, 0.0022412000000000 ] - [ 0.0013086100000000, -0.0011036200000000, 0.0021378400000000 ] - [ 0.0013133400000000, -0.0003250900000000, 0.0021347300000000 ] - [ -0.0013095000000000, 0.0007610700000000, -0.0021219800000000 ] - [ -0.0013122800000000, 0.0004291800000000, -0.0021388900000000 ] - [ -0.0014992800000000, -0.0003553300000000, -0.0017525500000000 ] - [ -0.0011104800000000, -0.0002331400000000, -0.0020107600000000 ] - [ -0.0011250200000000, -0.0003635500000000, -0.0025102900000000 ] - [ -0.0015115600000000, -0.0002281300000000, -0.0022590800000000 ]- atom: 13 displacement: [ -0.0032259099543045, 0.0000000000000000, 0.0094653845651785 ] forces: - [ -0.0034492800000000, 0.0032425900000000, 0.0000978500000000 ] - [ 0.0010834200000000, -0.0002911600000000, 0.0000821000000000 ] - [ -0.0034492800000000, -0.0032425900000000, 0.0000978500000000 ] - [ 0.0010834200000000, 0.0002911600000000, 0.0000821000000000 ] - [ -0.0000957200000000, 0.0000000000000000, 0.0012081600000000 ] - [ 0.0011444100000000, 0.0000000000000000, 0.0003721700000000 ] - [ 0.0044866500000000, 0.0000000000000000, -0.0039610800000000 ] - [ -0.0015011000000000, 0.0000000000000000, -0.0002008700000000 ] - [ -0.0010948300000000, 0.0001366600000000, -0.0013209300000000 ] - [ -0.0012330500000000, 0.0002967800000000, -0.0004418300000000 ] - [ -0.0010948300000000, -0.0001366600000000, -0.0013209300000000 ] - [ -0.0012330500000000, -0.0002967800000000, -0.0004418300000000 ] - [ 0.0083046400000000, 0.0000000000000000, -0.0826929700000000 ] - [ -0.0007982300000000, 0.0000000000000000, 0.0006246300000000 ] - [ -0.0017055000000000, -0.0007886200000000, -0.0022222900000000 ] - [ -0.0007612000000000, -0.0000068200000000, 0.0006185900000000 ] - [ -0.0017055000000000, 0.0007886200000000, -0.0022222900000000 ] - [ -0.0007612000000000, 0.0000068200000000, 0.0006185900000000 ] - [ 0.0052937300000000, 0.0066236300000000, 0.0081899400000000 ] - [ 0.0021394200000000, 0.0000327600000000, 0.0011871700000000 ] - [ 0.0052937300000000, -0.0066236300000000, 0.0081899400000000 ] - [ 0.0021394200000000, -0.0000327600000000, 0.0011871700000000 ] - [ 0.0022476700000000, 0.0000000000000000, 0.0018037100000000 ] - [ 0.0022083200000000, 0.0000000000000000, 0.0011889400000000 ] - [ -0.0020147200000000, 0.0000000000000000, -0.0012283700000000 ] - [ -0.0055277800000000, 0.0000000000000000, 0.0052215900000000 ] - [ -0.0020637100000000, 0.0001150500000000, -0.0013103700000000 ] - [ -0.0020550700000000, 0.0006392000000000, -0.0008095900000000 ] - [ -0.0020637100000000, -0.0001150500000000, -0.0013103700000000 ] - [ -0.0020550700000000, -0.0006392000000000, -0.0008095900000000 ] - [ -0.0004292400000000, -0.0063206300000000, 0.0083671900000000 ] - [ 0.0003492100000000, -0.0000002800000000, 0.0019172100000000 ] - [ -0.0004292400000000, 0.0063206300000000, 0.0083671900000000 ] - [ 0.0003492100000000, 0.0000002800000000, 0.0019172100000000 ] - [ -0.0001236400000000, 0.0000000000000000, 0.0022575400000000 ] - [ 0.0003970200000000, 0.0000000000000000, 0.0019220900000000 ] - [ -0.0003524000000000, 0.0000000000000000, -0.0008388700000000 ] - [ 0.0006098300000000, 0.0000000000000000, -0.0016025200000000 ] - [ -0.0000734100000000, 0.0003942100000000, -0.0012643400000000 ] - [ 0.0002547800000000, -0.0000350800000000, -0.0017203600000000 ] - [ -0.0000734100000000, -0.0003942100000000, -0.0012643400000000 ] - [ 0.0002547800000000, 0.0000350800000000, -0.0017203600000000 ] - [ 0.0004634300000000, 0.0001690200000000, -0.0006576500000000 ] - [ 0.0015223400000000, -0.0046208700000000, -0.0050493700000000 ] - [ 0.0004634300000000, -0.0001690200000000, -0.0006576500000000 ] - [ 0.0015223400000000, 0.0046208700000000, -0.0050493700000000 ] - [ 0.0004710300000000, 0.0000000000000000, -0.0003351200000000 ] - [ 0.0012430200000000, 0.0000000000000000, -0.0006049900000000 ] - [ 0.0029319700000000, 0.0005020600000000, -0.0019586800000000 ] - [ 0.0014829200000000, 0.0000011900000000, 0.0007036900000000 ] - [ 0.0029319700000000, -0.0005020600000000, -0.0019586800000000 ] - [ 0.0014829200000000, -0.0000011900000000, 0.0007036900000000 ] - [ 0.0018555000000000, 0.0000000000000000, 0.0004244500000000 ] - [ 0.0014642700000000, 0.0000000000000000, 0.0007228700000000 ] - [ -0.0015591200000000, 0.0000000000000000, -0.0007565000000000 ] - [ -0.0022234000000000, 0.0000000000000000, -0.0028608600000000 ] - [ -0.0017664700000000, -0.0000465400000000, -0.0007314200000000 ] - [ -0.0020248100000000, 0.0006709200000000, -0.0015063900000000 ] - [ -0.0017664700000000, 0.0000465400000000, -0.0007314200000000 ] - [ -0.0020248100000000, -0.0006709200000000, -0.0015063900000000 ] - [ 0.0005339600000000, 0.0000197500000000, 0.0001533700000000 ] - [ -0.0004808100000000, -0.0000450200000000, 0.0007609300000000 ] - [ 0.0005339600000000, -0.0000197500000000, 0.0001533700000000 ] - [ -0.0004808100000000, 0.0000450200000000, 0.0007609300000000 ] - [ 0.0001009700000000, 0.0000000000000000, 0.0001760100000000 ] - [ -0.0001472500000000, 0.0000000000000000, 0.0006097900000000 ] - [ 0.0032175400000000, 0.0000000000000000, 0.0263111500000000 ] - [ -0.0000388100000000, 0.0000000000000000, -0.0006224400000000 ] - [ -0.0006590200000000, -0.0012379800000000, 0.0001613700000000 ] - [ -0.0000752000000000, -0.0000054000000000, -0.0006429600000000 ] - [ -0.0006590200000000, 0.0012379800000000, 0.0001613700000000 ] - [ -0.0000752000000000, 0.0000054000000000, -0.0006429600000000 ] - [ 0.0011899100000000, 0.0063819500000000, 0.0101039600000000 ] - [ -0.0004197900000000, -0.0000041500000000, -0.0002698700000000 ] - [ 0.0011899100000000, -0.0063819500000000, 0.0101039600000000 ] - [ -0.0004197900000000, 0.0000041500000000, -0.0002698700000000 ] - [ -0.0006996000000000, 0.0000000000000000, -0.0001086500000000 ] - [ -0.0004686400000000, 0.0000000000000000, -0.0003008200000000 ] - [ 0.0005831800000000, 0.0000000000000000, 0.0003490800000000 ] - [ -0.0050500300000000, 0.0000000000000000, 0.0077096900000000 ] - [ 0.0005317200000000, 0.0000192200000000, 0.0003064300000000 ] - [ -0.0001310700000000, -0.0000664500000000, 0.0013588400000000 ] - [ 0.0005317200000000, -0.0000192200000000, 0.0003064300000000 ] - [ -0.0001310700000000, 0.0000664500000000, 0.0013588400000000 ] - [ -0.0030365100000000, 0.0023076000000000, 0.0035466400000000 ] - [ -0.0005007000000000, 0.0000722100000000, -0.0006274000000000 ] - [ -0.0030365100000000, -0.0023076000000000, 0.0035466400000000 ] - [ -0.0005007000000000, -0.0000722100000000, -0.0006274000000000 ] - [ 0.0000862400000000, 0.0000000000000000, -0.0001936300000000 ] - [ -0.0005240200000000, 0.0000000000000000, -0.0006285500000000 ] - [ 0.0012509900000000, 0.0000000000000000, 0.0015053100000000 ] - [ 0.0017515900000000, 0.0000000000000000, 0.0013930400000000 ] - [ 0.0007536700000000, 0.0001834800000000, 0.0009215700000000 ] - [ 0.0008347800000000, -0.0003103600000000, 0.0007728000000000 ] - [ 0.0007536700000000, -0.0001834800000000, 0.0009215700000000 ] - [ 0.0008347800000000, 0.0003103600000000, 0.0007728000000000 ] - [ 0.0026331600000000, 0.0002097300000000, 0.0018520700000000 ] - [ 0.0035959300000000, 0.0011876200000000, 0.0015444800000000 ] - [ 0.0026331600000000, -0.0002097300000000, 0.0018520700000000 ] - [ 0.0035959300000000, -0.0011876200000000, 0.0015444800000000 ] - [ 0.0030267300000000, 0.0000000000000000, 0.0018645700000000 ] - [ 0.0025241200000000, 0.0000000000000000, 0.0015434900000000 ] - [ -0.0079475900000000, 0.0000000000000000, 0.0129060600000000 ] - [ -0.0027097000000000, 0.0000000000000000, -0.0017018300000000 ] - [ -0.0023244500000000, 0.0010122800000000, -0.0016894800000000 ] - [ -0.0027638600000000, -0.0000094100000000, -0.0017273600000000 ] - [ -0.0023244500000000, -0.0010122800000000, -0.0016894800000000 ] - [ -0.0027638600000000, 0.0000094100000000, -0.0017273600000000 ] - [ 0.0001729700000000, 0.0011202700000000, 0.0014033600000000 ] - [ 0.0012380800000000, -0.0000568500000000, 0.0018256700000000 ] - [ 0.0001729700000000, -0.0011202700000000, 0.0014033600000000 ] - [ 0.0012380800000000, 0.0000568500000000, 0.0018256700000000 ] - [ 0.0011417900000000, 0.0000000000000000, 0.0022681200000000 ] - [ 0.0011686300000000, 0.0000000000000000, 0.0019442800000000 ] - [ -0.0004480300000000, 0.0000000000000000, -0.0059178900000000 ] - [ -0.0014877100000000, 0.0000000000000000, -0.0021121800000000 ] - [ -0.0012764100000000, -0.0007330500000000, -0.0036611200000000 ] - [ -0.0014643200000000, 0.0000000500000000, -0.0020930900000000 ] - [ -0.0012764100000000, 0.0007330500000000, -0.0036611200000000 ] - [ -0.0014643200000000, -0.0000000500000000, -0.0020930900000000 ]- atom: 13 displacement: [ 0.0032259099543045, 0.0000000000000000, -0.0094653845651785 ] forces: - [ 0.0055283400000000, -0.0032693000000000, 0.0011377400000000 ] - [ 0.0009692800000000, 0.0002928100000000, 0.0011314000000000 ] - [ 0.0055283400000000, 0.0032693000000000, 0.0011377400000000 ] - [ 0.0009692800000000, -0.0002928100000000, 0.0011314000000000 ] - [ 0.0021449900000000, 0.0000000000000000, 0.0000113500000000 ] - [ 0.0009101700000000, 0.0000000000000000, 0.0008448000000000 ] - [ -0.0065388900000000, 0.0000000000000000, 0.0026871300000000 ] - [ -0.0005448400000000, 0.0000000000000000, -0.0010144900000000 ] - [ -0.0009589000000000, -0.0001390000000000, 0.0000894100000000 ] - [ -0.0008169000000000, -0.0002972700000000, -0.0007731600000000 ] - [ -0.0009589000000000, 0.0001390000000000, 0.0000894100000000 ] - [ -0.0008169000000000, 0.0002972700000000, -0.0007731600000000 ] - [ -0.0097566600000000, 0.0000000000000000, 0.0830157400000000 ] - [ -0.0005638800000000, 0.0000000000000000, 0.0005263200000000 ] - [ 0.0003316500000000, 0.0007391300000000, 0.0033561200000000 ] - [ -0.0005990900000000, 0.0000097200000000, 0.0005321700000000 ] - [ 0.0003316500000000, -0.0007391300000000, 0.0033561200000000 ] - [ -0.0005990900000000, -0.0000097200000000, 0.0005321700000000 ] - [ -0.0011108900000000, -0.0067229700000000, -0.0059466000000000 ] - [ 0.0021016700000000, -0.0000291300000000, 0.0011411000000000 ] - [ -0.0011108900000000, 0.0067229700000000, -0.0059466000000000 ] - [ 0.0021016700000000, 0.0000291300000000, 0.0011411000000000 ] - [ 0.0019904000000000, 0.0000000000000000, 0.0005307300000000 ] - [ 0.0020307900000000, 0.0000000000000000, 0.0011326500000000 ] - [ -0.0022242200000000, 0.0000000000000000, -0.0010959100000000 ] - [ 0.0012702500000000, 0.0000000000000000, -0.0075580900000000 ] - [ -0.0021770000000000, -0.0001117800000000, -0.0010131400000000 ] - [ -0.0021903600000000, -0.0006361800000000, -0.0015152500000000 ] - [ -0.0021770000000000, 0.0001117800000000, -0.0010131400000000 ] - [ -0.0021903600000000, 0.0006361800000000, -0.0015152500000000 ] - [ 0.0009662900000000, 0.0062931500000000, -0.0046056100000000 ] - [ 0.0001897600000000, 0.0000003200000000, 0.0018071100000000 ] - [ 0.0009662900000000, -0.0062931500000000, -0.0046056100000000 ] - [ 0.0001897600000000, -0.0000003200000000, 0.0018071100000000 ] - [ 0.0006557800000000, 0.0000000000000000, 0.0014616500000000 ] - [ 0.0001339600000000, 0.0000000000000000, 0.0017934500000000 ] - [ -0.0001758900000000, 0.0000000000000000, -0.0028773500000000 ] - [ -0.0011470800000000, 0.0000000000000000, -0.0021084700000000 ] - [ -0.0004609900000000, -0.0003928300000000, -0.0024492900000000 ] - [ -0.0007876000000000, 0.0000316000000000, -0.0019918200000000 ] - [ -0.0004609900000000, 0.0003928300000000, -0.0024492900000000 ] - [ -0.0007876000000000, -0.0000316000000000, -0.0019918200000000 ] - [ 0.0009003000000000, -0.0001684200000000, -0.0004916300000000 ] - [ -0.0001447400000000, 0.0046223200000000, 0.0038918800000000 ] - [ 0.0009003000000000, 0.0001684200000000, -0.0004916300000000 ] - [ -0.0001447400000000, -0.0046223200000000, 0.0038918800000000 ] - [ 0.0008913500000000, 0.0000000000000000, -0.0008184100000000 ] - [ 0.0001296500000000, 0.0000000000000000, -0.0005528200000000 ] - [ 0.0001494500000000, -0.0004905300000000, 0.0033195800000000 ] - [ 0.0015876400000000, 0.0000005300000000, 0.0006456700000000 ] - [ 0.0001494500000000, 0.0004905300000000, 0.0033195800000000 ] - [ 0.0015876400000000, -0.0000005300000000, 0.0006456700000000 ] - [ 0.0012147300000000, 0.0000000000000000, 0.0009281300000000 ] - [ 0.0016059400000000, 0.0000000000000000, 0.0006238400000000 ] - [ -0.0015222400000000, 0.0000000000000000, -0.0005900600000000 ] - [ -0.0008305100000000, 0.0000000000000000, 0.0015126700000000 ] - [ -0.0013083900000000, 0.0000476000000000, -0.0006180200000000 ] - [ -0.0010361000000000, -0.0006836600000000, 0.0001561100000000 ] - [ -0.0013083900000000, -0.0000476000000000, -0.0006180200000000 ] - [ -0.0010361000000000, 0.0006836600000000, 0.0001561100000000 ] - [ -0.0003498300000000, -0.0000186000000000, 0.0009619900000000 ] - [ 0.0006664900000000, 0.0000467700000000, 0.0003582700000000 ] - [ -0.0003498300000000, 0.0000186000000000, 0.0009619900000000 ] - [ 0.0006664900000000, -0.0000467700000000, 0.0003582700000000 ] - [ 0.0000781700000000, 0.0000000000000000, 0.0009430000000000 ] - [ 0.0003348200000000, 0.0000000000000000, 0.0005107200000000 ] - [ -0.0031119200000000, 0.0000000000000000, -0.0259744700000000 ] - [ -0.0001516900000000, 0.0000000000000000, -0.0004997400000000 ] - [ 0.0004675400000000, 0.0012270800000000, -0.0012709000000000 ] - [ -0.0001113400000000, 0.0000099400000000, -0.0004788000000000 ] - [ 0.0004675400000000, -0.0012270800000000, -0.0012709000000000 ] - [ -0.0001113400000000, -0.0000099400000000, -0.0004788000000000 ] - [ -0.0021864200000000, -0.0064139100000000, -0.0105590700000000 ] - [ -0.0005554000000000, 0.0000066300000000, -0.0002445600000000 ] - [ -0.0021864200000000, 0.0064139100000000, -0.0105590700000000 ] - [ -0.0005554000000000, -0.0000066300000000, -0.0002445600000000 ] - [ -0.0002778800000000, 0.0000000000000000, -0.0004132600000000 ] - [ -0.0004979900000000, 0.0000000000000000, -0.0002146400000000 ] - [ 0.0003836100000000, 0.0000000000000000, 0.0001652300000000 ] - [ 0.0054636900000000, 0.0000000000000000, -0.0069420900000000 ] - [ 0.0004392300000000, -0.0000160200000000, 0.0002102000000000 ] - [ 0.0011120500000000, 0.0000591800000000, -0.0008462300000000 ] - [ 0.0004392300000000, 0.0000160200000000, 0.0002102000000000 ] - [ 0.0011120500000000, -0.0000591800000000, -0.0008462300000000 ] - [ 0.0018380100000000, -0.0022994500000000, -0.0048218500000000 ] - [ -0.0006806800000000, -0.0000740100000000, -0.0006913400000000 ] - [ 0.0018380100000000, 0.0022994500000000, -0.0048218500000000 ] - [ -0.0006806800000000, 0.0000740100000000, -0.0006913400000000 ] - [ -0.0012583700000000, 0.0000000000000000, -0.0011193300000000 ] - [ -0.0006619400000000, 0.0000000000000000, -0.0006865700000000 ] - [ -0.0000735500000000, 0.0000000000000000, -0.0001855600000000 ] - [ -0.0005630400000000, 0.0000000000000000, -0.0000803700000000 ] - [ 0.0004232200000000, -0.0001876900000000, 0.0003868000000000 ] - [ 0.0003435300000000, 0.0003117600000000, 0.0005405400000000 ] - [ 0.0004232200000000, 0.0001876900000000, 0.0003868000000000 ] - [ 0.0003435300000000, -0.0003117600000000, 0.0005405400000000 ] - [ 0.0028545100000000, -0.0002072600000000, 0.0016029100000000 ] - [ 0.0018886200000000, -0.0011962400000000, 0.0019153000000000 ] - [ 0.0028545100000000, 0.0002072600000000, 0.0016029100000000 ] - [ 0.0018886200000000, 0.0011962400000000, 0.0019153000000000 ] - [ 0.0024652700000000, 0.0000000000000000, 0.0015819700000000 ] - [ 0.0029674500000000, 0.0000000000000000, 0.0019120800000000 ] - [ 0.0029489100000000, 0.0000000000000000, -0.0172989700000000 ] - [ -0.0027802000000000, 0.0000000000000000, -0.0017522500000000 ] - [ -0.0031541400000000, -0.0010155200000000, -0.0017757400000000 ] - [ -0.0027246800000000, 0.0000054300000000, -0.0017281600000000 ] - [ -0.0031541400000000, 0.0010155200000000, -0.0017757400000000 ] - [ -0.0027246800000000, -0.0000054300000000, -0.0017281600000000 ] - [ 0.0024400700000000, -0.0011136500000000, 0.0028397000000000 ] - [ 0.0013824700000000, 0.0000565900000000, 0.0024158700000000 ] - [ 0.0024400700000000, 0.0011136500000000, 0.0028397000000000 ] - [ 0.0013824700000000, -0.0000565900000000, 0.0024158700000000 ] - [ 0.0014724100000000, 0.0000000000000000, 0.0019851300000000 ] - [ 0.0014563800000000, 0.0000000000000000, 0.0022970600000000 ] - [ -0.0021735900000000, 0.0000000000000000, 0.0016919900000000 ] - [ -0.0011367900000000, 0.0000000000000000, -0.0021376200000000 ] - [ -0.0013487900000000, 0.0007259400000000, -0.0005850100000000 ] - [ -0.0011566800000000, -0.0000049100000000, -0.0021512800000000 ] - [ -0.0013487900000000, -0.0007259400000000, -0.0005850100000000 ] - [ -0.0011566800000000, 0.0000049100000000, -0.0021512800000000 ]- atom: 19 displacement: [ 0.0099999760773639, 0.0000000000000000, -0.0000218735491084 ] forces: - [ 0.0125498700000000, 0.0000000000000000, 0.0053227600000000 ] - [ 0.0029985400000000, 0.0000000000000000, 0.0001988300000000 ] - [ 0.0034832600000000, 0.0026833700000000, 0.0012745100000000 ] - [ 0.0018582800000000, -0.0002485900000000, 0.0005958700000000 ] - [ 0.0034832600000000, -0.0026833700000000, 0.0012745100000000 ] - [ 0.0018582800000000, 0.0002485900000000, 0.0005958700000000 ] - [ -0.0005124000000000, 0.0001015300000000, -0.0003710900000000 ] - [ -0.0007274500000000, -0.0002114700000000, 0.0002379800000000 ] - [ -0.0006301300000000, 0.0000000000000000, -0.0003954700000000 ] - [ -0.0009769600000000, 0.0000000000000000, -0.0001065200000000 ] - [ -0.0005124000000000, -0.0001015300000000, -0.0003710900000000 ] - [ -0.0007274500000000, 0.0002114700000000, 0.0002379800000000 ] - [ -0.0073335200000000, -0.0036780900000000, 0.0016760700000000 ] - [ 0.0002874400000000, -0.0000198500000000, 0.0009441300000000 ] - [ -0.0022767100000000, 0.0000000000000000, 0.0001685300000000 ] - [ 0.0002139100000000, 0.0000000000000000, 0.0009933600000000 ] - [ -0.0073335200000000, 0.0036780900000000, 0.0016760700000000 ] - [ 0.0002874400000000, 0.0000198500000000, 0.0009441300000000 ] - [ -0.0696319700000000, 0.0000000000000000, 0.0017945600000000 ] - [ 0.0030115300000000, 0.0000000000000000, 0.0015667100000000 ] - [ -0.0058117900000000, -0.0004601100000000, -0.0042148300000000 ] - [ 0.0029152200000000, -0.0000061800000000, 0.0015548900000000 ] - [ -0.0058117900000000, 0.0004601100000000, -0.0042148300000000 ] - [ 0.0029152200000000, 0.0000061800000000, 0.0015548900000000 ] - [ -0.0013810300000000, 0.0000099700000000, -0.0006717500000000 ] - [ -0.0087294000000000, 0.0038394100000000, 0.0006499900000000 ] - [ -0.0014181000000000, 0.0000000000000000, -0.0006671100000000 ] - [ -0.0031583200000000, 0.0000000000000000, -0.0015963400000000 ] - [ -0.0013810300000000, -0.0000099700000000, -0.0006717500000000 ] - [ -0.0087294000000000, -0.0038394100000000, 0.0006499900000000 ] - [ 0.0044665400000000, 0.0000000000000000, -0.0002062800000000 ] - [ 0.0016755000000000, 0.0000000000000000, 0.0022834800000000 ] - [ -0.0005481800000000, 0.0009054100000000, 0.0011225500000000 ] - [ 0.0012737700000000, -0.0002172700000000, 0.0021395300000000 ] - [ -0.0005481800000000, -0.0009054100000000, 0.0011225500000000 ] - [ 0.0012737700000000, 0.0002172700000000, 0.0021395300000000 ] - [ 0.0010996000000000, 0.0002257700000000, -0.0019168700000000 ] - [ 0.0050955000000000, -0.0020710800000000, -0.0011926600000000 ] - [ 0.0003139800000000, 0.0000000000000000, -0.0019940700000000 ] - [ -0.0004452700000000, 0.0000000000000000, -0.0017143100000000 ] - [ 0.0010996000000000, -0.0002257700000000, -0.0019168700000000 ] - [ 0.0050955000000000, 0.0020710800000000, -0.0011926600000000 ] - [ 0.0017879500000000, 0.0000000000000000, -0.0000969500000000 ] - [ 0.0021644500000000, 0.0000000000000000, -0.0036811000000000 ] - [ 0.0017071000000000, 0.0001613400000000, -0.0001727100000000 ] - [ -0.0002319800000000, -0.0005883500000000, -0.0008226500000000 ] - [ 0.0017071000000000, -0.0001613400000000, -0.0001727100000000 ] - [ -0.0002319800000000, 0.0005883500000000, -0.0008226500000000 ] - [ 0.0131606800000000, 0.0000000000000000, -0.0086965900000000 ] - [ 0.0005883200000000, 0.0000000000000000, 0.0004722300000000 ] - [ 0.0036407400000000, -0.0000243600000000, 0.0009446300000000 ] - [ 0.0007126100000000, 0.0000142100000000, 0.0004678200000000 ] - [ 0.0036407400000000, 0.0000243600000000, 0.0009446300000000 ] - [ 0.0007126100000000, -0.0000142100000000, 0.0004678200000000 ] - [ -0.0024211400000000, -0.0000229400000000, -0.0008340800000000 ] - [ 0.0117642500000000, -0.0111593200000000, 0.0066892800000000 ] - [ -0.0021969300000000, 0.0000000000000000, -0.0008481100000000 ] - [ -0.0001087600000000, 0.0000000000000000, 0.0000065400000000 ] - [ -0.0024211400000000, 0.0000229400000000, -0.0008340800000000 ] - [ 0.0117642500000000, 0.0111593200000000, 0.0066892800000000 ] - [ -0.0006148400000000, 0.0000000000000000, 0.0004062600000000 ] - [ -0.0027482900000000, 0.0000000000000000, 0.0020013300000000 ] - [ -0.0004595300000000, -0.0002195300000000, 0.0004246600000000 ] - [ -0.0002850500000000, 0.0007576100000000, 0.0012449800000000 ] - [ -0.0004595300000000, 0.0002195300000000, 0.0004246600000000 ] - [ -0.0002850500000000, -0.0007576100000000, 0.0012449800000000 ] - [ -0.0001994100000000, -0.0005837600000000, 0.0004441100000000 ] - [ -0.0005413100000000, 0.0001364300000000, -0.0009703800000000 ] - [ 0.0003076400000000, 0.0000000000000000, -0.0002246500000000 ] - [ -0.0005135700000000, 0.0000000000000000, -0.0009712400000000 ] - [ -0.0001994100000000, 0.0005837600000000, 0.0004441100000000 ] - [ -0.0005413100000000, -0.0001364300000000, -0.0009703800000000 ] - [ 0.0128222300000000, 0.0000000000000000, -0.0171227900000000 ] - [ -0.0011682900000000, 0.0000000000000000, -0.0003561000000000 ] - [ 0.0015469300000000, 0.0002539400000000, -0.0002684000000000 ] - [ -0.0011066700000000, 0.0000111000000000, -0.0003476600000000 ] - [ 0.0015469300000000, -0.0002539400000000, -0.0002684000000000 ] - [ -0.0011066700000000, -0.0000111000000000, -0.0003476600000000 ] - [ -0.0001829100000000, -0.0000412400000000, 0.0000688900000000 ] - [ 0.0013521700000000, 0.0006809800000000, 0.0008266600000000 ] - [ -0.0001114100000000, 0.0000000000000000, 0.0000827900000000 ] - [ 0.0011092000000000, 0.0000000000000000, 0.0003028400000000 ] - [ -0.0001829100000000, 0.0000412400000000, 0.0000688900000000 ] - [ 0.0013521700000000, -0.0006809800000000, 0.0008266600000000 ] - [ 0.0005872800000000, 0.0000000000000000, -0.0012783000000000 ] - [ -0.0011111400000000, 0.0000000000000000, -0.0007461300000000 ] - [ -0.0001028700000000, -0.0004486200000000, -0.0013566200000000 ] - [ -0.0010541000000000, 0.0000708500000000, -0.0008747700000000 ] - [ -0.0001028700000000, 0.0004486200000000, -0.0013566200000000 ] - [ -0.0010541000000000, -0.0000708500000000, -0.0008747700000000 ] - [ -0.0004199000000000, -0.0003618400000000, -0.0001288200000000 ] - [ 0.0003304900000000, 0.0005331900000000, 0.0009746200000000 ] - [ 0.0000643900000000, 0.0000000000000000, 0.0001494300000000 ] - [ 0.0005218600000000, 0.0000000000000000, 0.0008124000000000 ] - [ -0.0004199000000000, 0.0003618400000000, -0.0001288200000000 ] - [ 0.0003304900000000, -0.0005331900000000, 0.0009746200000000 ] - [ 0.0021270200000000, 0.0000000000000000, 0.0014416200000000 ] - [ 0.0041217400000000, 0.0000000000000000, 0.0019263300000000 ] - [ 0.0021719300000000, -0.0000529100000000, 0.0013908400000000 ] - [ 0.0036250900000000, 0.0001173800000000, 0.0016386900000000 ] - [ 0.0021719300000000, 0.0000529100000000, 0.0013908400000000 ] - [ 0.0036250900000000, -0.0001173800000000, 0.0016386900000000 ] - [ 0.0094945100000000, 0.0063208100000000, 0.0026215900000000 ] - [ -0.0035445600000000, 0.0001101000000000, -0.0019406000000000 ] - [ -0.0008528500000000, 0.0000000000000000, -0.0009112600000000 ] - [ -0.0033906200000000, 0.0000000000000000, -0.0019462700000000 ] - [ 0.0094945100000000, -0.0063208100000000, 0.0026215900000000 ] - [ -0.0035445600000000, -0.0001101000000000, -0.0019406000000000 ] - [ 0.0004734200000000, 0.0000000000000000, 0.0023426200000000 ] - [ 0.0003583700000000, 0.0000000000000000, 0.0010847500000000 ] - [ 0.0012289000000000, -0.0002109100000000, 0.0022372200000000 ] - [ 0.0007918900000000, 0.0006419000000000, 0.0015444000000000 ] - [ 0.0012289000000000, 0.0002109100000000, 0.0022372200000000 ] - [ 0.0007918900000000, -0.0006419000000000, 0.0015444000000000 ] - [ -0.0021383100000000, -0.0007651400000000, -0.0012330500000000 ] - [ -0.0022445600000000, 0.0002860200000000, -0.0023226800000000 ] - [ -0.0012939000000000, 0.0000000000000000, -0.0017412000000000 ] - [ -0.0015836100000000, 0.0000000000000000, -0.0022051700000000 ] - [ -0.0021383100000000, 0.0007651400000000, -0.0012330500000000 ] - [ -0.0022445600000000, -0.0002860200000000, -0.0023226800000000 ]- atom: 19 displacement: [ -0.0099999760773639, 0.0000000000000000, 0.0000218735491084 ] forces: - [ -0.0103446500000000, 0.0000000000000000, -0.0040596100000000 ] - [ -0.0009733400000000, 0.0000000000000000, 0.0009949700000000 ] - [ -0.0014434300000000, -0.0026730100000000, -0.0000782100000000 ] - [ 0.0001885100000000, 0.0002533500000000, 0.0005924600000000 ] - [ -0.0014434300000000, 0.0026730100000000, -0.0000782100000000 ] - [ 0.0001885100000000, -0.0002533500000000, 0.0005924600000000 ] - [ -0.0015349100000000, -0.0000959800000000, -0.0008191400000000 ] - [ -0.0013168300000000, 0.0002139900000000, -0.0014222200000000 ] - [ -0.0014188300000000, 0.0000000000000000, -0.0007924700000000 ] - [ -0.0010687400000000, 0.0000000000000000, -0.0010795000000000 ] - [ -0.0015349100000000, 0.0000959800000000, -0.0008191400000000 ] - [ -0.0013168300000000, -0.0002139900000000, -0.0014222200000000 ] - [ 0.0059407100000000, 0.0036619700000000, -0.0005384100000000 ] - [ -0.0016616100000000, 0.0000171500000000, 0.0002195800000000 ] - [ 0.0009024300000000, 0.0000000000000000, 0.0009804500000000 ] - [ -0.0015883600000000, 0.0000000000000000, 0.0001717800000000 ] - [ 0.0059407100000000, -0.0036619700000000, -0.0005384100000000 ] - [ -0.0016616100000000, -0.0000171500000000, 0.0002195800000000 ] - [ 0.0735713300000000, 0.0000000000000000, 0.0004665800000000 ] - [ 0.0012245600000000, 0.0000000000000000, 0.0007522400000000 ] - [ 0.0100373100000000, 0.0004270700000000, 0.0065288700000000 ] - [ 0.0013246800000000, 0.0000057500000000, 0.0007627600000000 ] - [ 0.0100373100000000, -0.0004270700000000, 0.0065288700000000 ] - [ 0.0013246800000000, -0.0000057500000000, 0.0007627600000000 ] - [ -0.0028525200000000, -0.0000087300000000, -0.0016449900000000 ] - [ 0.0044790800000000, -0.0038416800000000, -0.0029517200000000 ] - [ -0.0028149100000000, 0.0000000000000000, -0.0016517800000000 ] - [ -0.0010875600000000, 0.0000000000000000, -0.0007167500000000 ] - [ -0.0028525200000000, 0.0000087300000000, -0.0016449900000000 ] - [ 0.0044790800000000, 0.0038416800000000, -0.0029517200000000 ] - [ -0.0039211800000000, 0.0000000000000000, 0.0038937500000000 ] - [ -0.0011259200000000, 0.0000000000000000, 0.0014206900000000 ] - [ 0.0010875300000000, -0.0009005000000000, 0.0025774600000000 ] - [ -0.0007257800000000, 0.0002141900000000, 0.0015605100000000 ] - [ 0.0010875300000000, 0.0009005000000000, 0.0025774600000000 ] - [ -0.0007257800000000, -0.0002141900000000, 0.0015605100000000 ] - [ -0.0016339000000000, -0.0002256300000000, -0.0017872200000000 ] - [ -0.0056253200000000, 0.0021030600000000, -0.0025389300000000 ] - [ -0.0008560100000000, 0.0000000000000000, -0.0017076400000000 ] - [ -0.0000845600000000, 0.0000000000000000, -0.0019939100000000 ] - [ -0.0016339000000000, 0.0002256300000000, -0.0017872200000000 ] - [ -0.0056253200000000, -0.0021030600000000, -0.0025389300000000 ] - [ -0.0004155500000000, 0.0000000000000000, -0.0010581600000000 ] - [ -0.0007554600000000, 0.0000000000000000, 0.0025439700000000 ] - [ -0.0003368400000000, -0.0001630200000000, -0.0009785000000000 ] - [ 0.0016081400000000, 0.0005896300000000, -0.0003301800000000 ] - [ -0.0003368400000000, 0.0001630200000000, -0.0009785000000000 ] - [ 0.0016081400000000, -0.0005896300000000, -0.0003301800000000 ] - [ -0.0100181800000000, 0.0000000000000000, 0.0097620600000000 ] - [ 0.0024754500000000, 0.0000000000000000, 0.0008892200000000 ] - [ -0.0005726500000000, 0.0000188700000000, 0.0004213500000000 ] - [ 0.0023512900000000, -0.0000147800000000, 0.0008947600000000 ] - [ -0.0005726500000000, -0.0000188700000000, 0.0004213500000000 ] - [ 0.0023512900000000, 0.0000147800000000, 0.0008947600000000 ] - [ -0.0006451600000000, 0.0000228700000000, -0.0005282000000000 ] - [ -0.0149858000000000, 0.0115193000000000, -0.0082681100000000 ] - [ -0.0008687500000000, 0.0000000000000000, -0.0005136300000000 ] - [ -0.0029526500000000, 0.0000000000000000, -0.0013691300000000 ] - [ -0.0006451600000000, -0.0000228700000000, -0.0005282000000000 ] - [ -0.0149858000000000, -0.0115193000000000, -0.0082681100000000 ] - [ 0.0008303000000000, 0.0000000000000000, 0.0006908400000000 ] - [ 0.0030361500000000, 0.0000000000000000, -0.0009408000000000 ] - [ 0.0006758800000000, 0.0002174100000000, 0.0006711400000000 ] - [ 0.0004998700000000, -0.0007610000000000, -0.0001462900000000 ] - [ 0.0006758800000000, -0.0002174100000000, 0.0006711400000000 ] - [ 0.0004998700000000, 0.0007610000000000, -0.0001462900000000 ] - [ -0.0000171900000000, 0.0005822500000000, -0.0015348000000000 ] - [ 0.0003231300000000, -0.0001347300000000, -0.0001298300000000 ] - [ -0.0005244200000000, 0.0000000000000000, -0.0008687500000000 ] - [ 0.0002950500000000, 0.0000000000000000, -0.0001279800000000 ] - [ -0.0000171900000000, -0.0005822500000000, -0.0015348000000000 ] - [ 0.0003231300000000, 0.0001347300000000, -0.0001298300000000 ] - [ -0.0138043700000000, 0.0000000000000000, 0.0169921300000000 ] - [ 0.0001967700000000, 0.0000000000000000, -0.0001637200000000 ] - [ -0.0025108000000000, -0.0002556200000000, -0.0002542400000000 ] - [ 0.0001367100000000, -0.0000120600000000, -0.0001720500000000 ] - [ -0.0025108000000000, 0.0002556200000000, -0.0002542400000000 ] - [ 0.0001367100000000, 0.0000120600000000, -0.0001720500000000 ] - [ 0.0011529400000000, 0.0000404400000000, 0.0004501700000000 ] - [ -0.0003885600000000, -0.0006752600000000, -0.0003039800000000 ] - [ 0.0010819700000000, 0.0000000000000000, 0.0004359200000000 ] - [ -0.0001381700000000, 0.0000000000000000, 0.0002137500000000 ] - [ 0.0011529400000000, -0.0000404400000000, 0.0004501700000000 ] - [ -0.0003885600000000, 0.0006752600000000, -0.0003039800000000 ] - [ -0.0017736500000000, 0.0000000000000000, -0.0000779700000000 ] - [ -0.0000774200000000, 0.0000000000000000, -0.0006083300000000 ] - [ -0.0010778300000000, 0.0004497600000000, 0.0000134400000000 ] - [ -0.0001351500000000, -0.0000710700000000, -0.0004753500000000 ] - [ -0.0010778300000000, -0.0004497600000000, 0.0000134400000000 ] - [ -0.0001351500000000, 0.0000710700000000, -0.0004753500000000 ] - [ 0.0016044400000000, 0.0003576700000000, 0.0014753300000000 ] - [ 0.0008564800000000, -0.0005385700000000, 0.0003687900000000 ] - [ 0.0011250500000000, 0.0000000000000000, 0.0011989600000000 ] - [ 0.0006624200000000, 0.0000000000000000, 0.0005334200000000 ] - [ 0.0016044400000000, -0.0003576700000000, 0.0014753300000000 ] - [ 0.0008564800000000, 0.0005385700000000, 0.0003687900000000 ] - [ 0.0033932900000000, 0.0000000000000000, 0.0019994400000000 ] - [ 0.0014038800000000, 0.0000000000000000, 0.0015163600000000 ] - [ 0.0033490300000000, 0.0000522700000000, 0.0020489300000000 ] - [ 0.0018961100000000, -0.0001172200000000, 0.0017986500000000 ] - [ 0.0033490300000000, -0.0000522700000000, 0.0020489300000000 ] - [ 0.0018961100000000, 0.0001172200000000, 0.0017986500000000 ] - [ -0.0148385600000000, -0.0059902900000000, -0.0058742700000000 ] - [ -0.0019759200000000, -0.0001129200000000, -0.0014990900000000 ] - [ -0.0046676100000000, 0.0000000000000000, -0.0025303900000000 ] - [ -0.0021301900000000, 0.0000000000000000, -0.0014961100000000 ] - [ -0.0148385600000000, 0.0059902900000000, -0.0058742700000000 ] - [ -0.0019759200000000, 0.0001129200000000, -0.0014990900000000 ] - [ 0.0021251000000000, 0.0000000000000000, 0.0019324500000000 ] - [ 0.0022354500000000, 0.0000000000000000, 0.0031858200000000 ] - [ 0.0013719500000000, 0.0002098300000000, 0.0020367100000000 ] - [ 0.0018051400000000, -0.0006426100000000, 0.0027262500000000 ] - [ 0.0013719500000000, -0.0002098300000000, 0.0020367100000000 ] - [ 0.0018051400000000, 0.0006426100000000, 0.0027262500000000 ] - [ -0.0004603200000000, 0.0007589700000000, -0.0030349300000000 ] - [ -0.0003610000000000, -0.0002888100000000, -0.0019467700000000 ] - [ -0.0013066700000000, 0.0000000000000000, -0.0025313100000000 ] - [ -0.0010197300000000, 0.0000000000000000, -0.0020663800000000 ] - [ -0.0004603200000000, -0.0007589700000000, -0.0030349300000000 ] - [ -0.0003610000000000, 0.0002888100000000, -0.0019467700000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010046200000000, -0.0088484800000000, 0.0006050900000000 ] - [ 0.0010201500000000, -0.0003843400000000, 0.0006086200000000 ] - [ 0.0050811800000000, 0.0041472900000000, 0.0016110400000000 ] - [ 0.0005891800000000, 0.0001972900000000, 0.0008537600000000 ] - [ -0.0030328000000000, 0.0041411000000000, -0.0003849600000000 ] - [ 0.0014460800000000, 0.0001995500000000, 0.0003646600000000 ] - [ -0.0007232900000000, -0.0005224800000000, -0.0001770300000000 ] - [ -0.0016485100000000, -0.0005458100000000, -0.0014533400000000 ] - [ -0.0010190400000000, 0.0009957700000000, -0.0006101300000000 ] - [ -0.0010181300000000, 0.0010892600000000, -0.0006084200000000 ] - [ -0.0013129400000000, -0.0005241000000000, -0.0010413200000000 ] - [ -0.0003836600000000, -0.0005461400000000, 0.0002339600000000 ] - [ -0.0033791900000000, -0.0007951100000000, 0.0067234000000000 ] - [ -0.0006644500000000, -0.0000630400000000, 0.0006111600000000 ] - [ -0.0006648900000000, 0.0023413600000000, 0.0005806700000000 ] - [ -0.0006619200000000, 0.0001299700000000, 0.0005792100000000 ] - [ 0.0020102600000000, -0.0007703100000000, -0.0055354900000000 ] - [ -0.0006573800000000, -0.0000630200000000, 0.0005491100000000 ] - [ 0.0022794000000000, -0.0871698300000000, 0.0013956000000000 ] - [ 0.0021343200000000, -0.0002332100000000, 0.0011838800000000 ] - [ 0.0025754600000000, 0.0177806500000000, 0.0018796500000000 ] - [ 0.0021352800000000, 0.0001198800000000, 0.0012164100000000 ] - [ 0.0016869700000000, 0.0175637900000000, 0.0004936400000000 ] - [ 0.0021268200000000, 0.0001243900000000, 0.0011489300000000 ] - [ -0.0021255200000000, -0.0001009400000000, -0.0012372100000000 ] - [ 0.0017016000000000, -0.0007527300000000, -0.0098321000000000 ] - [ -0.0021301000000000, 0.0002049600000000, -0.0011818400000000 ] - [ -0.0021292800000000, 0.0024864600000000, -0.0011928300000000 ] - [ -0.0021436600000000, -0.0001027800000000, -0.0011313900000000 ] - [ -0.0059436600000000, -0.0007319100000000, 0.0074166200000000 ] - [ 0.0002727300000000, -0.0018577400000000, 0.0018495400000000 ] - [ 0.0002848000000000, -0.0006224100000000, 0.0018539700000000 ] - [ 0.0013143600000000, 0.0008591200000000, 0.0013285400000000 ] - [ -0.0002933100000000, 0.0003243100000000, 0.0016205400000000 ] - [ -0.0007353000000000, 0.0008660200000000, 0.0023731400000000 ] - [ 0.0008611600000000, 0.0003245100000000, 0.0020865700000000 ] - [ 0.0005279400000000, -0.0002882800000000, -0.0018824000000000 ] - [ -0.0091664600000000, -0.0009027400000000, -0.0009307200000000 ] - [ -0.0002848400000000, 0.0005676000000000, -0.0018498400000000 ] - [ -0.0002913700000000, 0.0019638000000000, -0.0018518400000000 ] - [ -0.0010979300000000, -0.0002906700000000, -0.0018194200000000 ] - [ 0.0085761700000000, -0.0008979700000000, -0.0027716500000000 ] - [ 0.0006603900000000, -0.0005420700000000, -0.0005786600000000 ] - [ 0.0006832300000000, -0.0008003800000000, -0.0005877300000000 ] - [ 0.0007868200000000, 0.0002631800000000, -0.0004181900000000 ] - [ -0.0000068900000000, 0.0005183900000000, -0.0001285500000000 ] - [ 0.0005364100000000, 0.0002619700000000, -0.0007428900000000 ] - [ 0.0013438200000000, 0.0005250500000000, -0.0010180600000000 ] - [ 0.0014776600000000, 0.0050539600000000, 0.0007529200000000 ] - [ 0.0015362800000000, 0.0001476800000000, 0.0006787400000000 ] - [ 0.0003944800000000, -0.0014176700000000, 0.0021560500000000 ] - [ 0.0017169800000000, -0.0000714400000000, 0.0007073700000000 ] - [ 0.0026724600000000, -0.0014163800000000, -0.0007896200000000 ] - [ 0.0013534100000000, -0.0000708300000000, 0.0006518600000000 ] - [ -0.0017433600000000, 0.0000593000000000, -0.0006294600000000 ] - [ -0.0118820900000000, 0.0182897900000000, -0.0095806700000000 ] - [ -0.0015354800000000, -0.0001278600000000, -0.0006784700000000 ] - [ -0.0015325700000000, -0.0048855800000000, -0.0006777900000000 ] - [ -0.0013281400000000, 0.0000588700000000, -0.0007286000000000 ] - [ 0.0082779400000000, 0.0176412300000000, 0.0077612600000000 ] - [ 0.0000968000000000, 0.0004018400000000, 0.0005578800000000 ] - [ 0.0000947300000000, 0.0019445000000000, 0.0005513200000000 ] - [ -0.0002737500000000, -0.0001883100000000, 0.0006283600000000 ] - [ 0.0010470900000000, -0.0010358500000000, 0.0000399800000000 ] - [ 0.0004706600000000, -0.0001890500000000, 0.0004866600000000 ] - [ -0.0008444500000000, -0.0010304700000000, 0.0010704000000000 ] - [ -0.0001663600000000, 0.0003901300000000, -0.0010730900000000 ] - [ -0.0001341500000000, 0.0002163000000000, -0.0005886300000000 ] - [ -0.0000987900000000, -0.0007186700000000, -0.0005560800000000 ] - [ -0.0000979700000000, -0.0004272400000000, -0.0005567200000000 ] - [ -0.0000280500000000, 0.0003870300000000, -0.0000386000000000 ] - [ -0.0000605500000000, 0.0002172400000000, -0.0005253200000000 ] - [ -0.0004234700000000, 0.0034411500000000, -0.0003455900000000 ] - [ -0.0004853100000000, 0.0000616800000000, -0.0002546300000000 ] - [ 0.0001607700000000, -0.0014641600000000, -0.0020777900000000 ] - [ -0.0005276000000000, -0.0000316600000000, -0.0003043500000000 ] - [ -0.0011317300000000, -0.0014625000000000, 0.0015597700000000 ] - [ -0.0004427900000000, -0.0000308500000000, -0.0002052500000000 ] - [ 0.0004147300000000, 0.0000537500000000, 0.0002390600000000 ] - [ 0.0008325100000000, 0.0004878200000000, 0.0016835500000000 ] - [ 0.0004839200000000, -0.0001075100000000, 0.0002536200000000 ] - [ 0.0004875200000000, -0.0010847500000000, 0.0002527700000000 ] - [ 0.0005546700000000, 0.0000540400000000, 0.0002698700000000 ] - [ 0.0001370900000000, 0.0004823200000000, -0.0011645500000000 ] - [ -0.0005844700000000, 0.0019932400000000, -0.0006784900000000 ] - [ -0.0005864100000000, 0.0001707700000000, -0.0006673900000000 ] - [ -0.0010071400000000, -0.0011556600000000, -0.0020858400000000 ] - [ -0.0005371700000000, -0.0000866500000000, -0.0006800000000000 ] - [ -0.0001641700000000, -0.0011602200000000, 0.0007525400000000 ] - [ -0.0006339800000000, -0.0000856300000000, -0.0006568700000000 ] - [ -0.0000036100000000, 0.0005471800000000, 0.0004198800000000 ] - [ 0.0006317100000000, 0.0003538300000000, 0.0006728200000000 ] - [ 0.0005863000000000, -0.0011662600000000, 0.0006697500000000 ] - [ 0.0005861700000000, -0.0007430800000000, 0.0006674200000000 ] - [ 0.0011747500000000, 0.0005496100000000, 0.0009140300000000 ] - [ 0.0005396600000000, 0.0003504100000000, 0.0006643000000000 ] - [ 0.0027527900000000, 0.0001998200000000, 0.0017171400000000 ] - [ 0.0027492800000000, 0.0019538400000000, 0.0017236900000000 ] - [ 0.0027354000000000, -0.0001049900000000, 0.0017220800000000 ] - [ 0.0028279700000000, -0.0010502000000000, 0.0025799400000000 ] - [ 0.0027701100000000, -0.0001042800000000, 0.0017112300000000 ] - [ 0.0026780900000000, -0.0010537400000000, 0.0008551800000000 ] - [ 0.0021383400000000, 0.0115018200000000, 0.0006076700000000 ] - [ -0.0026382200000000, 0.0000740500000000, -0.0017755700000000 ] - [ -0.0027574600000000, -0.0055271800000000, -0.0017213400000000 ] - [ -0.0027528800000000, -0.0001503700000000, -0.0017177200000000 ] - [ -0.0072366000000000, 0.0109985300000000, -0.0037716200000000 ] - [ -0.0028676600000000, 0.0000733300000000, -0.0016607100000000 ] - [ 0.0013038200000000, 0.0007249500000000, 0.0021319700000000 ] - [ 0.0013103300000000, 0.0021899700000000, 0.0021327900000000 ] - [ 0.0009846100000000, -0.0003017500000000, 0.0021410700000000 ] - [ 0.0021327400000000, -0.0010333600000000, 0.0026352500000000 ] - [ 0.0016192400000000, -0.0003031800000000, 0.0021192100000000 ] - [ 0.0004703100000000, -0.0010348800000000, 0.0016250300000000 ] - [ -0.0022913200000000, 0.0005985600000000, -0.0011307000000000 ] - [ 0.0000817300000000, 0.0002173700000000, -0.0019802700000000 ] - [ -0.0013044500000000, -0.0010588000000000, -0.0021315700000000 ] - [ -0.0013036500000000, -0.0004536700000000, -0.0021300900000000 ] - [ -0.0003211500000000, 0.0005943200000000, -0.0031226100000000 ] - [ -0.0026807200000000, 0.0002152900000000, -0.0022801600000000 ]- atom: 19 displacement: [ -0.0032259099543045, 0.0000000000000000, 0.0094653845651785 ] forces: - [ 0.0031083600000000, 0.0000000000000000, -0.0016163500000000 ] - [ 0.0002701500000000, 0.0000000000000000, 0.0008577000000000 ] - [ 0.0021866700000000, 0.0007594600000000, 0.0002974100000000 ] - [ 0.0011273200000000, 0.0002040200000000, 0.0005807200000000 ] - [ 0.0021866700000000, -0.0007594600000000, 0.0002974100000000 ] - [ 0.0011273200000000, -0.0002040200000000, 0.0005807200000000 ] - [ -0.0007845300000000, 0.0002846600000000, 0.0007232300000000 ] - [ -0.0003369100000000, -0.0003069100000000, -0.0000280700000000 ] - [ -0.0008353600000000, 0.0000000000000000, 0.0001351400000000 ] - [ -0.0004935200000000, 0.0000000000000000, -0.0004224200000000 ] - [ -0.0007845300000000, -0.0002846600000000, 0.0007232300000000 ] - [ -0.0003369100000000, 0.0003069100000000, -0.0000280700000000 ] - [ 0.0040145200000000, 0.0091760500000000, 0.0081851500000000 ] - [ -0.0004016200000000, 0.0000069200000000, 0.0006963800000000 ] - [ -0.0005327600000000, 0.0000000000000000, 0.0012248900000000 ] - [ -0.0003826300000000, 0.0000000000000000, 0.0006821700000000 ] - [ 0.0040145200000000, -0.0091760500000000, 0.0081851500000000 ] - [ -0.0004016200000000, -0.0000069200000000, 0.0006963800000000 ] - [ 0.0258838200000000, 0.0000000000000000, -0.0881246300000000 ] - [ 0.0022203500000000, 0.0000000000000000, 0.0011790200000000 ] - [ -0.0004197100000000, -0.0005405600000000, -0.0033960400000000 ] - [ 0.0022444300000000, -0.0000294900000000, 0.0012306400000000 ] - [ -0.0004197100000000, 0.0005405600000000, -0.0033960400000000 ] - [ 0.0022444300000000, 0.0000294900000000, 0.0012306400000000 ] - [ -0.0018997400000000, -0.0000553300000000, -0.0008879700000000 ] - [ 0.0017168800000000, -0.0093447700000000, 0.0089317900000000 ] - [ -0.0018806800000000, 0.0000000000000000, -0.0009297200000000 ] - [ -0.0021976600000000, 0.0000000000000000, -0.0004368300000000 ] - [ -0.0018997400000000, 0.0000553300000000, -0.0008879700000000 ] - [ 0.0017168800000000, 0.0093447700000000, 0.0089317900000000 ] - [ -0.0114354200000000, 0.0000000000000000, 0.0032605900000000 ] - [ 0.0007556300000000, 0.0000000000000000, 0.0017867400000000 ] - [ -0.0008173900000000, -0.0004346800000000, 0.0021579500000000 ] - [ 0.0006409300000000, -0.0000095300000000, 0.0017801400000000 ] - [ -0.0008173900000000, 0.0004346800000000, 0.0021579500000000 ] - [ 0.0006409300000000, 0.0000095300000000, 0.0017801400000000 ] - [ -0.0005462900000000, -0.0002499600000000, -0.0020271200000000 ] - [ 0.0028433100000000, 0.0013389100000000, -0.0036641400000000 ] - [ -0.0002084500000000, 0.0000000000000000, -0.0018277100000000 ] - [ 0.0000168500000000, 0.0000000000000000, -0.0021931000000000 ] - [ -0.0005462900000000, 0.0002499600000000, -0.0020271200000000 ] - [ 0.0028433100000000, -0.0013389100000000, -0.0036641400000000 ] - [ 0.0011297900000000, 0.0000000000000000, -0.0005344200000000 ] - [ -0.0068876800000000, 0.0000000000000000, 0.0044098800000000 ] - [ 0.0011312300000000, 0.0000319300000000, -0.0005973900000000 ] - [ -0.0005497000000000, 0.0007206800000000, -0.0006773200000000 ] - [ 0.0011312300000000, -0.0000319300000000, -0.0005973900000000 ] - [ -0.0005497000000000, -0.0007206800000000, -0.0006773200000000 ] - [ -0.0083975000000000, 0.0000000000000000, 0.0159427400000000 ] - [ 0.0012231100000000, 0.0000000000000000, 0.0005802700000000 ] - [ 0.0021415400000000, 0.0012678100000000, 0.0010404600000000 ] - [ 0.0012970800000000, 0.0000185000000000, 0.0005982300000000 ] - [ 0.0021415400000000, -0.0012678100000000, 0.0010404600000000 ] - [ 0.0012970800000000, -0.0000185000000000, 0.0005982300000000 ] - [ -0.0014916500000000, 0.0000461900000000, -0.0007003100000000 ] - [ 0.0003386400000000, -0.0040064500000000, 0.0067559400000000 ] - [ -0.0016404900000000, 0.0000000000000000, -0.0007385400000000 ] - [ -0.0012551300000000, 0.0000000000000000, -0.0001228900000000 ] - [ -0.0014916500000000, -0.0000461900000000, -0.0007003100000000 ] - [ 0.0003386400000000, 0.0040064500000000, 0.0067559400000000 ] - [ -0.0000991600000000, 0.0000000000000000, 0.0008264200000000 ] - [ 0.0014782200000000, 0.0000000000000000, 0.0023450400000000 ] - [ -0.0000462800000000, 0.0001893500000000, 0.0008436600000000 ] - [ -0.0001297600000000, 0.0000992800000000, 0.0012794600000000 ] - [ -0.0000462800000000, -0.0001893500000000, 0.0008436600000000 ] - [ -0.0001297600000000, -0.0000992800000000, 0.0012794600000000 ] - [ 0.0010216100000000, 0.0009006500000000, -0.0030308300000000 ] - [ -0.0002878300000000, 0.0000440300000000, -0.0006430000000000 ] - [ 0.0002376200000000, 0.0000000000000000, -0.0011234900000000 ] - [ -0.0002941700000000, 0.0000000000000000, -0.0006224200000000 ] - [ 0.0010216100000000, -0.0009006500000000, -0.0030308300000000 ] - [ -0.0002878300000000, -0.0000440300000000, -0.0006430000000000 ] - [ -0.0224817600000000, 0.0000000000000000, 0.0335709300000000 ] - [ -0.0006538200000000, 0.0000000000000000, -0.0002554100000000 ] - [ 0.0000224600000000, -0.0013981000000000, 0.0002994900000000 ] - [ -0.0006376600000000, -0.0000017200000000, -0.0002550300000000 ] - [ 0.0000224600000000, 0.0013981000000000, 0.0002994900000000 ] - [ -0.0006376600000000, 0.0000017200000000, -0.0002550300000000 ] - [ 0.0002582600000000, 0.0000121000000000, 0.0001672500000000 ] - [ 0.0023504100000000, -0.0014556600000000, -0.0042382600000000 ] - [ 0.0002552500000000, 0.0000000000000000, 0.0001852400000000 ] - [ 0.0010510300000000, 0.0000000000000000, -0.0004439500000000 ] - [ 0.0002582600000000, -0.0000121000000000, 0.0001672500000000 ] - [ 0.0023504100000000, 0.0014556600000000, -0.0042382600000000 ] - [ -0.0026975400000000, 0.0000000000000000, -0.0017715300000000 ] - [ -0.0007462300000000, 0.0000000000000000, -0.0009859600000000 ] - [ -0.0017196100000000, -0.0008310100000000, -0.0013872300000000 ] - [ -0.0007564100000000, -0.0000221300000000, -0.0008617000000000 ] - [ -0.0017196100000000, 0.0008310100000000, -0.0013872300000000 ] - [ -0.0007564100000000, 0.0000221300000000, -0.0008617000000000 ] - [ 0.0000515600000000, -0.0001386400000000, 0.0004616300000000 ] - [ 0.0010779500000000, -0.0004343300000000, 0.0004593400000000 ] - [ 0.0001338800000000, 0.0000000000000000, 0.0004385800000000 ] - [ 0.0006073400000000, 0.0000000000000000, 0.0004032900000000 ] - [ 0.0000515600000000, 0.0001386400000000, 0.0004616300000000 ] - [ 0.0010779500000000, 0.0004343300000000, 0.0004593400000000 ] - [ 0.0025516100000000, 0.0000000000000000, 0.0014384800000000 ] - [ 0.0014267200000000, 0.0000000000000000, -0.0008107800000000 ] - [ 0.0024493100000000, 0.0000201800000000, 0.0015298700000000 ] - [ 0.0021940400000000, 0.0009937900000000, 0.0005513200000000 ] - [ 0.0024493100000000, -0.0000201800000000, 0.0015298700000000 ] - [ 0.0021940400000000, -0.0009937900000000, 0.0005513200000000 ] - [ -0.0029666200000000, 0.0000810400000000, 0.0023600600000000 ] - [ -0.0028285000000000, -0.0000695900000000, -0.0017261600000000 ] - [ -0.0021340100000000, 0.0000000000000000, -0.0010029600000000 ] - [ -0.0028598500000000, 0.0000000000000000, -0.0017795800000000 ] - [ -0.0029666200000000, -0.0000810400000000, 0.0023600600000000 ] - [ -0.0028285000000000, 0.0000695900000000, -0.0017261600000000 ] - [ 0.0030309100000000, 0.0000000000000000, 0.0019785600000000 ] - [ 0.0006712200000000, 0.0000000000000000, 0.0021260900000000 ] - [ 0.0014635400000000, 0.0000805300000000, 0.0018737900000000 ] - [ 0.0009839600000000, 0.0001408600000000, 0.0021352400000000 ] - [ 0.0014635400000000, -0.0000805300000000, 0.0018737900000000 ] - [ 0.0009839600000000, -0.0001408600000000, 0.0021352400000000 ] - [ -0.0007800700000000, 0.0009841500000000, -0.0007705400000000 ] - [ -0.0018143200000000, -0.0001776800000000, -0.0019566400000000 ] - [ -0.0012277700000000, 0.0000000000000000, -0.0017513500000000 ] - [ -0.0013924300000000, 0.0000000000000000, -0.0020605800000000 ] - [ -0.0007800700000000, -0.0009841500000000, -0.0007705400000000 ] - [ -0.0018143200000000, 0.0001776800000000, -0.0019566400000000 ]- atom: 19 displacement: [ 0.0032259099543045, 0.0000000000000000, -0.0094653845651785 ] forces: - [ -0.0011017700000000, 0.0000000000000000, 0.0028169400000000 ] - [ 0.0017813500000000, 0.0000000000000000, 0.0003549500000000 ] - [ -0.0001500600000000, -0.0007686200000000, 0.0009160300000000 ] - [ 0.0009274500000000, -0.0002036200000000, 0.0006301200000000 ] - [ -0.0001500600000000, 0.0007686200000000, 0.0009160300000000 ] - [ 0.0009274500000000, 0.0002036200000000, 0.0006301200000000 ] - [ -0.0012665900000000, -0.0002807600000000, -0.0019374300000000 ] - [ -0.0017222700000000, 0.0003080900000000, -0.0011767900000000 ] - [ -0.0012207000000000, 0.0000000000000000, -0.0013464900000000 ] - [ -0.0015694600000000, 0.0000000000000000, -0.0007841700000000 ] - [ -0.0012665900000000, 0.0002807600000000, -0.0019374300000000 ] - [ -0.0017222700000000, -0.0003080900000000, -0.0011767900000000 ] - [ -0.0053330900000000, -0.0090914400000000, -0.0069677900000000 ] - [ -0.0009547400000000, -0.0000053000000000, 0.0004602800000000 ] - [ -0.0008290900000000, 0.0000000000000000, -0.0000715900000000 ] - [ -0.0009719400000000, 0.0000000000000000, 0.0004752000000000 ] - [ -0.0053330900000000, 0.0090914400000000, -0.0069677900000000 ] - [ -0.0009547400000000, 0.0000053000000000, 0.0004602800000000 ] - [ -0.0212033700000000, 0.0000000000000000, 0.0896448500000000 ] - [ 0.0020213100000000, 0.0000000000000000, 0.0011614700000000 ] - [ 0.0046621400000000, 0.0004883000000000, 0.0057306100000000 ] - [ 0.0020011900000000, 0.0000287900000000, 0.0011095700000000 ] - [ 0.0046621400000000, -0.0004883000000000, 0.0057306100000000 ] - [ 0.0020011900000000, -0.0000287900000000, 0.0011095700000000 ] - [ -0.0023418800000000, 0.0000550000000000, -0.0014522600000000 ] - [ -0.0060097900000000, 0.0094427300000000, -0.0113518800000000 ] - [ -0.0023636100000000, 0.0000000000000000, -0.0014072400000000 ] - [ -0.0020459800000000, 0.0000000000000000, -0.0018883000000000 ] - [ -0.0023418800000000, -0.0000550000000000, -0.0014522600000000 ] - [ -0.0060097900000000, -0.0094427300000000, -0.0113518800000000 ] - [ 0.0120461500000000, 0.0000000000000000, 0.0004323300000000 ] - [ -0.0002008000000000, 0.0000000000000000, 0.0019238100000000 ] - [ 0.0013637600000000, 0.0004404600000000, 0.0015510900000000 ] - [ -0.0000871800000000, 0.0000087500000000, 0.0019273200000000 ] - [ 0.0013637600000000, -0.0004404600000000, 0.0015510900000000 ] - [ -0.0000871800000000, -0.0000087500000000, 0.0019273200000000 ] - [ 0.0000015300000000, 0.0002500900000000, -0.0016764900000000 ] - [ -0.0033514900000000, -0.0013337000000000, -0.0000573300000000 ] - [ -0.0003390200000000, 0.0000000000000000, -0.0018782300000000 ] - [ -0.0005563300000000, 0.0000000000000000, -0.0015180900000000 ] - [ 0.0000015300000000, -0.0002500900000000, -0.0016764900000000 ] - [ -0.0033514900000000, 0.0013337000000000, -0.0000573300000000 ] - [ 0.0002243500000000, 0.0000000000000000, -0.0006232200000000 ] - [ 0.0082325900000000, 0.0000000000000000, -0.0055187900000000 ] - [ 0.0002220000000000, -0.0000336100000000, -0.0005604200000000 ] - [ 0.0019173300000000, -0.0007197300000000, -0.0004820100000000 ] - [ 0.0002220000000000, 0.0000336100000000, -0.0005604200000000 ] - [ 0.0019173300000000, 0.0007197300000000, -0.0004820100000000 ] - [ 0.0122082400000000, 0.0000000000000000, -0.0158230400000000 ] - [ 0.0018474400000000, 0.0000000000000000, 0.0007775700000000 ] - [ 0.0009353000000000, -0.0012760800000000, 0.0003119100000000 ] - [ 0.0017716400000000, -0.0000198800000000, 0.0007618900000000 ] - [ 0.0009353000000000, 0.0012760800000000, 0.0003119100000000 ] - [ 0.0017716400000000, 0.0000198800000000, 0.0007618900000000 ] - [ -0.0015828100000000, -0.0000469600000000, -0.0006595600000000 ] - [ -0.0033970500000000, 0.0039699200000000, -0.0080644500000000 ] - [ -0.0014320000000000, 0.0000000000000000, -0.0006193700000000 ] - [ -0.0018159100000000, 0.0000000000000000, -0.0012452500000000 ] - [ -0.0015828100000000, 0.0000469600000000, -0.0006595600000000 ] - [ -0.0033970500000000, -0.0039699200000000, -0.0080644500000000 ] - [ 0.0003078900000000, 0.0000000000000000, 0.0002734600000000 ] - [ -0.0012593700000000, 0.0000000000000000, -0.0012202100000000 ] - [ 0.0002491700000000, -0.0001919700000000, 0.0002568600000000 ] - [ 0.0003333300000000, -0.0000988900000000, -0.0001691200000000 ] - [ 0.0002491700000000, 0.0001919700000000, 0.0002568600000000 ] - [ 0.0003333300000000, 0.0000988900000000, -0.0001691200000000 ] - [ -0.0012307100000000, -0.0009069400000000, 0.0019302300000000 ] - [ 0.0000828200000000, -0.0000432500000000, -0.0004615400000000 ] - [ -0.0004433400000000, 0.0000000000000000, 0.0000199400000000 ] - [ 0.0000898900000000, 0.0000000000000000, -0.0004847500000000 ] - [ -0.0012307100000000, 0.0009069400000000, 0.0019302300000000 ] - [ 0.0000828200000000, 0.0000432500000000, -0.0004615400000000 ] - [ 0.0204441800000000, 0.0000000000000000, -0.0320985000000000 ] - [ -0.0003170800000000, 0.0000000000000000, -0.0002581900000000 ] - [ -0.0010005100000000, 0.0013892500000000, -0.0008025100000000 ] - [ -0.0003301200000000, 0.0000015200000000, -0.0002576100000000 ] - [ -0.0010005100000000, -0.0013892500000000, -0.0008025100000000 ] - [ -0.0003301200000000, -0.0000015200000000, -0.0002576100000000 ] - [ 0.0007098100000000, -0.0000130500000000, 0.0003473900000000 ] - [ -0.0013742600000000, 0.0014495200000000, 0.0047389100000000 ] - [ 0.0007155600000000, 0.0000000000000000, 0.0003271300000000 ] - [ -0.0000824300000000, 0.0000000000000000, 0.0009543100000000 ] - [ 0.0007098100000000, 0.0000130500000000, 0.0003473900000000 ] - [ -0.0013742600000000, -0.0014495200000000, 0.0047389100000000 ] - [ 0.0014993900000000, 0.0000000000000000, 0.0004269400000000 ] - [ -0.0004322500000000, 0.0000000000000000, -0.0003596400000000 ] - [ 0.0005331200000000, 0.0008237200000000, 0.0000453500000000 ] - [ -0.0004225800000000, 0.0000232900000000, -0.0004815500000000 ] - [ 0.0005331200000000, -0.0008237200000000, 0.0000453500000000 ] - [ -0.0004225800000000, -0.0000232900000000, -0.0004815500000000 ] - [ 0.0011292500000000, 0.0001395700000000, 0.0008870900000000 ] - [ 0.0001047200000000, 0.0004330700000000, 0.0008854300000000 ] - [ 0.0010456000000000, 0.0000000000000000, 0.0009080700000000 ] - [ 0.0005725300000000, 0.0000000000000000, 0.0009437000000000 ] - [ 0.0011292500000000, -0.0001395700000000, 0.0008870900000000 ] - [ 0.0001047200000000, -0.0004330700000000, 0.0008854300000000 ] - [ 0.0029545400000000, 0.0000000000000000, 0.0020010500000000 ] - [ 0.0041015500000000, 0.0000000000000000, 0.0042490200000000 ] - [ 0.0030570400000000, -0.0000207500000000, 0.0019053800000000 ] - [ 0.0033243700000000, -0.0010075300000000, 0.0028931700000000 ] - [ 0.0030570400000000, 0.0000207500000000, 0.0019053800000000 ] - [ 0.0033243700000000, 0.0010075300000000, 0.0028931700000000 ] - [ -0.0026168600000000, -0.0001465100000000, -0.0057998500000000 ] - [ -0.0026801200000000, 0.0000678000000000, -0.0017101000000000 ] - [ -0.0033706000000000, 0.0000000000000000, -0.0024301500000000 ] - [ -0.0026480700000000, 0.0000000000000000, -0.0016574900000000 ] - [ -0.0026168600000000, 0.0001465100000000, -0.0057998500000000 ] - [ -0.0026801200000000, -0.0000678000000000, -0.0017101000000000 ] - [ -0.0004380000000000, 0.0000000000000000, 0.0022843000000000 ] - [ 0.0019259100000000, 0.0000000000000000, 0.0021318900000000 ] - [ 0.0011398000000000, -0.0000821800000000, 0.0023919200000000 ] - [ 0.0016147500000000, -0.0001374500000000, 0.0021261500000000 ] - [ 0.0011398000000000, 0.0000821800000000, 0.0023919200000000 ] - [ 0.0016147500000000, 0.0001374500000000, 0.0021261500000000 ] - [ -0.0018302700000000, -0.0009898100000000, -0.0035060700000000 ] - [ -0.0007926200000000, 0.0001745900000000, -0.0023086200000000 ] - [ -0.0013755500000000, 0.0000000000000000, -0.0025170800000000 ] - [ -0.0012128600000000, 0.0000000000000000, -0.0022038000000000 ] - [ -0.0018302700000000, 0.0009898100000000, -0.0035060700000000 ] - [ -0.0007926200000000, -0.0001745900000000, -0.0023086200000000 ]- atom: 31 displacement: [ 0.0099999760773639, 0.0000000000000000, -0.0000218735491084 ] forces: - [ -0.0018264600000000, 0.0000000000000000, -0.0010480400000000 ] - [ 0.0021960900000000, 0.0000000000000000, 0.0010068600000000 ] - [ -0.0003055600000000, 0.0001712600000000, 0.0003884000000000 ] - [ 0.0021158800000000, 0.0000107700000000, 0.0010194700000000 ] - [ -0.0003055600000000, -0.0001712600000000, 0.0003884000000000 ] - [ 0.0021158800000000, -0.0000107700000000, 0.0010194700000000 ] - [ -0.0005854700000000, 0.0049463400000000, -0.0063813900000000 ] - [ 0.0007099600000000, -0.0004584100000000, -0.0000827500000000 ] - [ -0.0013822800000000, 0.0000000000000000, -0.0014573600000000 ] - [ 0.0002932400000000, 0.0000000000000000, -0.0002114400000000 ] - [ -0.0005854700000000, -0.0049463400000000, -0.0063813900000000 ] - [ 0.0007099600000000, 0.0004584100000000, -0.0000827500000000 ] - [ -0.0026582600000000, -0.0003177600000000, -0.0008225600000000 ] - [ 0.0005560000000000, 0.0000680900000000, 0.0010931900000000 ] - [ -0.0021161300000000, 0.0000000000000000, -0.0003097800000000 ] - [ 0.0003961000000000, 0.0000000000000000, 0.0010902000000000 ] - [ -0.0026582600000000, 0.0003177600000000, -0.0008225600000000 ] - [ 0.0005560000000000, -0.0000680900000000, 0.0010931900000000 ] - [ 0.0062796200000000, 0.0000000000000000, -0.0097912800000000 ] - [ 0.0035275100000000, 0.0000000000000000, 0.0021473100000000 ] - [ 0.0013063700000000, -0.0010255400000000, -0.0002621600000000 ] - [ 0.0031287200000000, 0.0005763000000000, 0.0018877900000000 ] - [ 0.0013063700000000, 0.0010255400000000, -0.0002621600000000 ] - [ 0.0031287200000000, -0.0005763000000000, 0.0018877900000000 ] - [ -0.0007546900000000, 0.0008105200000000, -0.0009867800000000 ] - [ 0.0032235600000000, -0.0088499000000000, 0.0039307500000000 ] - [ -0.0015390100000000, 0.0000000000000000, -0.0008949600000000 ] - [ -0.0022999600000000, 0.0000000000000000, -0.0009228800000000 ] - [ -0.0007546900000000, -0.0008105200000000, -0.0009867800000000 ] - [ 0.0032235600000000, 0.0088499000000000, 0.0039307500000000 ] - [ -0.0937544200000000, 0.0000000000000000, 0.0064431200000000 ] - [ 0.0016575600000000, 0.0000000000000000, 0.0020162900000000 ] - [ -0.0025680700000000, 0.0001985300000000, 0.0019730900000000 ] - [ 0.0014515600000000, -0.0000344800000000, 0.0019976600000000 ] - [ -0.0025680700000000, -0.0001985300000000, 0.0019730900000000 ] - [ 0.0014515600000000, 0.0000344800000000, 0.0019976600000000 ] - [ 0.0025226100000000, 0.0093027600000000, 0.0061196200000000 ] - [ 0.0015207600000000, -0.0000889500000000, -0.0019021500000000 ] - [ -0.0004183800000000, 0.0000000000000000, -0.0018311300000000 ] - [ 0.0003531800000000, 0.0000000000000000, -0.0018036600000000 ] - [ 0.0025226100000000, -0.0093027600000000, 0.0061196200000000 ] - [ 0.0015207600000000, 0.0000889500000000, -0.0019021500000000 ] - [ 0.0013742900000000, 0.0000000000000000, -0.0004446400000000 ] - [ 0.0012922200000000, 0.0000000000000000, 0.0005473500000000 ] - [ 0.0010653500000000, 0.0001931800000000, -0.0002498000000000 ] - [ 0.0008268000000000, -0.0004279500000000, 0.0000132800000000 ] - [ 0.0010653500000000, -0.0001931800000000, -0.0002498000000000 ] - [ 0.0008268000000000, 0.0004279500000000, 0.0000132800000000 ] - [ 0.0318733000000000, 0.0000000000000000, -0.0043436100000000 ] - [ 0.0003749300000000, 0.0000000000000000, 0.0004856000000000 ] - [ 0.0029666900000000, 0.0015369700000000, 0.0010776600000000 ] - [ 0.0005559800000000, -0.0002076200000000, 0.0005346200000000 ] - [ 0.0029666900000000, -0.0015369700000000, 0.0010776600000000 ] - [ 0.0005559800000000, 0.0002076200000000, 0.0005346200000000 ] - [ -0.0035591400000000, -0.0007542700000000, -0.0015337200000000 ] - [ -0.0035961600000000, 0.0017181800000000, 0.0006912600000000 ] - [ -0.0019403600000000, 0.0000000000000000, -0.0007937200000000 ] - [ -0.0016901000000000, 0.0000000000000000, -0.0003842500000000 ] - [ -0.0035591400000000, 0.0007542700000000, -0.0015337200000000 ] - [ -0.0035961600000000, -0.0017181800000000, 0.0006912600000000 ] - [ 0.0007068800000000, 0.0000000000000000, -0.0014841500000000 ] - [ -0.0002771400000000, 0.0000000000000000, 0.0005629900000000 ] - [ 0.0003154600000000, -0.0013662500000000, -0.0005922100000000 ] - [ -0.0002288900000000, 0.0001439600000000, 0.0006132600000000 ] - [ 0.0003154600000000, 0.0013662500000000, -0.0005922100000000 ] - [ -0.0002288900000000, -0.0001439600000000, 0.0006132600000000 ] - [ 0.0032686000000000, 0.0014801500000000, -0.0019505700000000 ] - [ -0.0006632800000000, 0.0000188200000000, -0.0008000300000000 ] - [ 0.0005202500000000, 0.0000000000000000, -0.0002376000000000 ] - [ -0.0006380100000000, 0.0000000000000000, -0.0007668200000000 ] - [ 0.0032686000000000, -0.0014801500000000, -0.0019505700000000 ] - [ -0.0006632800000000, -0.0000188200000000, -0.0008000300000000 ] - [ -0.0002903300000000, 0.0000000000000000, 0.0019139600000000 ] - [ -0.0013258700000000, 0.0000000000000000, -0.0005807400000000 ] - [ 0.0001403900000000, 0.0002570400000000, 0.0000605000000000 ] - [ -0.0010653800000000, -0.0000700400000000, -0.0004668800000000 ] - [ 0.0001403900000000, -0.0002570400000000, 0.0000605000000000 ] - [ -0.0010653800000000, 0.0000700400000000, -0.0004668800000000 ] - [ -0.0001929700000000, -0.0002969100000000, 0.0004031900000000 ] - [ 0.0012656800000000, 0.0008544500000000, -0.0011247800000000 ] - [ 0.0000401700000000, 0.0000000000000000, 0.0002318900000000 ] - [ 0.0010155200000000, 0.0000000000000000, 0.0000174300000000 ] - [ -0.0001929700000000, 0.0002969100000000, 0.0004031900000000 ] - [ 0.0012656800000000, -0.0008544500000000, -0.0011247800000000 ] - [ 0.0009103100000000, 0.0000000000000000, 0.0008591800000000 ] - [ -0.0014662100000000, 0.0000000000000000, -0.0011555100000000 ] - [ 0.0007639300000000, -0.0002798500000000, 0.0001122000000000 ] - [ -0.0013797100000000, 0.0000113100000000, -0.0011371100000000 ] - [ 0.0007639300000000, 0.0002798500000000, 0.0001122000000000 ] - [ -0.0013797100000000, -0.0000113100000000, -0.0011371100000000 ] - [ 0.0007917500000000, -0.0002191000000000, 0.0011520200000000 ] - [ 0.0000562500000000, 0.0001552400000000, 0.0001902100000000 ] - [ 0.0009690700000000, 0.0000000000000000, 0.0006524800000000 ] - [ 0.0000085200000000, 0.0000000000000000, 0.0001896100000000 ] - [ 0.0007917500000000, 0.0002191000000000, 0.0011520200000000 ] - [ 0.0000562500000000, -0.0001552400000000, 0.0001902100000000 ] - [ 0.0007594800000000, 0.0000000000000000, 0.0023564200000000 ] - [ 0.0000551700000000, 0.0000000000000000, -0.0000277800000000 ] - [ 0.0023280400000000, -0.0004177400000000, 0.0017102500000000 ] - [ 0.0014182600000000, 0.0013339200000000, 0.0008792700000000 ] - [ 0.0023280400000000, 0.0004177400000000, 0.0017102500000000 ] - [ 0.0014182600000000, -0.0013339200000000, 0.0008792700000000 ] - [ -0.0009767600000000, 0.0009153300000000, -0.0001108600000000 ] - [ -0.0037516200000000, -0.0000960300000000, -0.0021915200000000 ] - [ -0.0016007300000000, 0.0000000000000000, -0.0010380100000000 ] - [ -0.0036894200000000, 0.0000000000000000, -0.0021860300000000 ] - [ -0.0009767600000000, -0.0009153300000000, -0.0001108600000000 ] - [ -0.0037516200000000, 0.0000960300000000, -0.0021915200000000 ] - [ 0.0369544100000000, 0.0000000000000000, 0.0021760600000000 ] - [ 0.0005777900000000, 0.0000000000000000, 0.0020430900000000 ] - [ 0.0020685300000000, -0.0011042500000000, 0.0024683100000000 ] - [ 0.0007469000000000, 0.0001415100000000, 0.0020304100000000 ] - [ 0.0020685300000000, 0.0011042500000000, 0.0024683100000000 ] - [ 0.0007469000000000, -0.0001415100000000, 0.0020304100000000 ] - [ 0.0024395900000000, 0.0003235500000000, -0.0017965800000000 ] - [ -0.0020232000000000, 0.0000342300000000, -0.0022816100000000 ] - [ -0.0005905800000000, 0.0000000000000000, -0.0021056700000000 ] - [ -0.0017791100000000, 0.0000000000000000, -0.0022666900000000 ] - [ 0.0024395900000000, -0.0003235500000000, -0.0017965800000000 ] - [ -0.0020232000000000, -0.0000342300000000, -0.0022816100000000 ]- atom: 31 displacement: [ -0.0099999760773639, 0.0000000000000000, 0.0000218735491084 ] forces: - [ 0.0038891800000000, 0.0000000000000000, 0.0022495500000000 ] - [ -0.0001399700000000, 0.0000000000000000, 0.0002193800000000 ] - [ 0.0023633200000000, -0.0001807200000000, 0.0008248300000000 ] - [ -0.0000606900000000, -0.0000117400000000, 0.0002090900000000 ] - [ 0.0023633200000000, 0.0001807200000000, 0.0008248300000000 ] - [ -0.0000606900000000, 0.0000117400000000, 0.0002090900000000 ] - [ -0.0014713800000000, -0.0048956000000000, 0.0051022900000000 ] - [ -0.0027692200000000, 0.0004574500000000, -0.0011449300000000 ] - [ -0.0006824200000000, 0.0000000000000000, 0.0002339700000000 ] - [ -0.0023564500000000, 0.0000000000000000, -0.0010176300000000 ] - [ -0.0014713800000000, 0.0048956000000000, 0.0051022900000000 ] - [ -0.0027692200000000, -0.0004574500000000, -0.0011449300000000 ] - [ 0.0013586600000000, 0.0003174600000000, 0.0020359800000000 ] - [ -0.0018440700000000, -0.0000662500000000, 0.0000832500000000 ] - [ 0.0008077400000000, 0.0000000000000000, 0.0014950600000000 ] - [ -0.0016861400000000, 0.0000000000000000, 0.0000813200000000 ] - [ 0.0013586600000000, -0.0003174600000000, 0.0020359800000000 ] - [ -0.0018440700000000, 0.0000662500000000, 0.0000832500000000 ] - [ -0.0020385700000000, 0.0000000000000000, 0.0122143700000000 ] - [ 0.0007679300000000, 0.0000000000000000, 0.0002159000000000 ] - [ 0.0029786500000000, 0.0010267100000000, 0.0026415900000000 ] - [ 0.0011648900000000, -0.0005741800000000, 0.0004728900000000 ] - [ 0.0029786500000000, -0.0010267100000000, 0.0026415900000000 ] - [ 0.0011648900000000, 0.0005741800000000, 0.0004728900000000 ] - [ -0.0035341300000000, -0.0008066200000000, -0.0013802200000000 ] - [ -0.0075506100000000, 0.0088901100000000, -0.0063222900000000 ] - [ -0.0027447400000000, 0.0000000000000000, -0.0014707200000000 ] - [ -0.0019744300000000, 0.0000000000000000, -0.0014525400000000 ] - [ -0.0035341300000000, 0.0008066200000000, -0.0013802200000000 ] - [ -0.0075506100000000, -0.0088901100000000, -0.0063222900000000 ] - [ 0.0943574000000000, 0.0000000000000000, -0.0031455400000000 ] - [ -0.0010912000000000, 0.0000000000000000, 0.0016678600000000 ] - [ 0.0031347200000000, -0.0002497200000000, 0.0016892900000000 ] - [ -0.0008952500000000, 0.0000240800000000, 0.0016816600000000 ] - [ 0.0031347200000000, 0.0002497200000000, 0.0016892900000000 ] - [ -0.0008952500000000, -0.0000240800000000, 0.0016816600000000 ] - [ -0.0030372500000000, -0.0092068900000000, -0.0097151400000000 ] - [ -0.0020827100000000, 0.0000875600000000, -0.0017731900000000 ] - [ -0.0001518700000000, 0.0000000000000000, -0.0018627000000000 ] - [ -0.0009002100000000, 0.0000000000000000, -0.0018734500000000 ] - [ -0.0030372500000000, 0.0092068900000000, -0.0097151400000000 ] - [ -0.0020827100000000, -0.0000875600000000, -0.0017731900000000 ] - [ -0.0000901600000000, 0.0000000000000000, -0.0007233700000000 ] - [ 0.0000106200000000, 0.0000000000000000, -0.0017257500000000 ] - [ 0.0002191100000000, -0.0001956500000000, -0.0009191100000000 ] - [ 0.0004869000000000, 0.0004327500000000, -0.0011893100000000 ] - [ 0.0002191100000000, 0.0001956500000000, -0.0009191100000000 ] - [ 0.0004869000000000, -0.0004327500000000, -0.0011893100000000 ] - [ -0.0307819400000000, 0.0000000000000000, 0.0059860900000000 ] - [ 0.0026875800000000, 0.0000000000000000, 0.0008581900000000 ] - [ 0.0000824100000000, -0.0015504300000000, 0.0002730500000000 ] - [ 0.0025077400000000, 0.0002042800000000, 0.0008181400000000 ] - [ 0.0000824100000000, 0.0015504300000000, 0.0002730500000000 ] - [ 0.0025077400000000, -0.0002042800000000, 0.0008181400000000 ] - [ 0.0004913900000000, 0.0007495800000000, 0.0001815800000000 ] - [ 0.0005432900000000, -0.0017207800000000, -0.0020526900000000 ] - [ -0.0011204900000000, 0.0000000000000000, -0.0005467500000000 ] - [ -0.0013690800000000, 0.0000000000000000, -0.0009728900000000 ] - [ 0.0004913900000000, -0.0007495800000000, 0.0001815800000000 ] - [ 0.0005432900000000, 0.0017207800000000, -0.0020526900000000 ] - [ -0.0005020000000000, 0.0000000000000000, 0.0025937600000000 ] - [ 0.0004742400000000, 0.0000000000000000, 0.0005605400000000 ] - [ -0.0001278300000000, 0.0013478600000000, 0.0017113900000000 ] - [ 0.0004279900000000, -0.0001511500000000, 0.0005138400000000 ] - [ -0.0001278300000000, -0.0013478600000000, 0.0017113900000000 ] - [ 0.0004279900000000, 0.0001511500000000, 0.0005138400000000 ] - [ -0.0034675300000000, -0.0016295500000000, 0.0009591500000000 ] - [ 0.0004692700000000, -0.0000150000000000, -0.0003325400000000 ] - [ -0.0007125600000000, 0.0000000000000000, -0.0008906500000000 ] - [ 0.0004464900000000, 0.0000000000000000, -0.0003654900000000 ] - [ -0.0034675300000000, 0.0016295500000000, 0.0009591500000000 ] - [ 0.0004692700000000, 0.0000150000000000, -0.0003325400000000 ] - [ -0.0007061200000000, 0.0000000000000000, -0.0024368700000000 ] - [ 0.0003371800000000, 0.0000000000000000, 0.0000665400000000 ] - [ -0.0011352600000000, -0.0002563500000000, -0.0005724400000000 ] - [ 0.0000837100000000, 0.0000690800000000, -0.0000469300000000 ] - [ -0.0011352600000000, 0.0002563500000000, -0.0005724400000000 ] - [ 0.0000837100000000, -0.0000690800000000, -0.0000469300000000 ] - [ 0.0011763900000000, 0.0002926000000000, 0.0001107100000000 ] - [ -0.0002829300000000, -0.0008642700000000, 0.0016485000000000 ] - [ 0.0009481400000000, 0.0000000000000000, 0.0002785500000000 ] - [ -0.0000290900000000, 0.0000000000000000, 0.0004907800000000 ] - [ 0.0011763900000000, -0.0002926000000000, 0.0001107100000000 ] - [ -0.0002829300000000, 0.0008642700000000, 0.0016485000000000 ] - [ -0.0020665300000000, 0.0000000000000000, -0.0021727600000000 ] - [ 0.0003011100000000, 0.0000000000000000, -0.0001575400000000 ] - [ -0.0019226600000000, 0.0002760600000000, -0.0014252700000000 ] - [ 0.0002153700000000, -0.0000102600000000, -0.0001763700000000 ] - [ -0.0019226600000000, -0.0002760600000000, -0.0014252700000000 ] - [ 0.0002153700000000, 0.0000102600000000, -0.0001763700000000 ] - [ 0.0003749100000000, 0.0002194200000000, 0.0001636500000000 ] - [ 0.0011110000000000, -0.0001531600000000, 0.0011250100000000 ] - [ 0.0002006500000000, 0.0000000000000000, 0.0006613800000000 ] - [ 0.0011534700000000, 0.0000000000000000, 0.0011251800000000 ] - [ 0.0003749100000000, -0.0002194200000000, 0.0001636500000000 ] - [ 0.0011110000000000, 0.0001531600000000, 0.0011250100000000 ] - [ 0.0047203700000000, 0.0000000000000000, 0.0011049200000000 ] - [ 0.0054395600000000, 0.0000000000000000, 0.0035031800000000 ] - [ 0.0031534800000000, 0.0004167900000000, 0.0017439600000000 ] - [ 0.0040695500000000, -0.0013481800000000, 0.0025852300000000 ] - [ 0.0031534800000000, -0.0004167900000000, 0.0017439600000000 ] - [ 0.0040695500000000, 0.0013481800000000, 0.0025852300000000 ] - [ -0.0045097500000000, -0.0009226100000000, -0.0033561000000000 ] - [ -0.0017322000000000, 0.0000951300000000, -0.0012653900000000 ] - [ -0.0038827600000000, 0.0000000000000000, -0.0024255800000000 ] - [ -0.0017923900000000, 0.0000000000000000, -0.0012743900000000 ] - [ -0.0045097500000000, 0.0009226100000000, -0.0033561000000000 ] - [ -0.0017322000000000, -0.0000951300000000, -0.0012653900000000 ] - [ -0.0324176800000000, 0.0000000000000000, 0.0020418700000000 ] - [ 0.0020575900000000, 0.0000000000000000, 0.0021937600000000 ] - [ 0.0005696400000000, 0.0011052300000000, 0.0017754700000000 ] - [ 0.0018859200000000, -0.0001452100000000, 0.0022102600000000 ] - [ 0.0005696400000000, -0.0011052300000000, 0.0017754700000000 ] - [ 0.0018859200000000, 0.0001452100000000, 0.0022102600000000 ] - [ -0.0050757900000000, -0.0004284800000000, -0.0025432400000000 ] - [ -0.0006023200000000, -0.0000334100000000, -0.0019600300000000 ] - [ -0.0020414300000000, 0.0000000000000000, -0.0021245400000000 ] - [ -0.0008544300000000, 0.0000000000000000, -0.0019742500000000 ] - [ -0.0050757900000000, 0.0004284800000000, -0.0025432400000000 ] - [ -0.0006023200000000, 0.0000334100000000, -0.0019600300000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010385100000000, -0.0087934000000000, 0.0000491500000000 ] - [ 0.0010044800000000, -0.0002213600000000, 0.0000819200000000 ] - [ 0.0007901700000000, 0.0042302900000000, 0.0035653100000000 ] - [ 0.0009569300000000, 0.0001403000000000, 0.0000434600000000 ] - [ 0.0013065400000000, 0.0042399400000000, -0.0034168600000000 ] - [ 0.0011093000000000, 0.0000828500000000, 0.0001407600000000 ] - [ 0.0051431300000000, -0.0015411100000000, -0.0014395100000000 ] - [ -0.0011298300000000, -0.0001032100000000, -0.0000463400000000 ] - [ -0.0010169500000000, 0.0024997600000000, -0.0000796500000000 ] - [ -0.0010295900000000, 0.0002251200000000, -0.0000806000000000 ] - [ -0.0071741400000000, -0.0015647100000000, 0.0012995800000000 ] - [ -0.0009510600000000, -0.0000960900000000, -0.0001081600000000 ] - [ -0.0029322100000000, -0.0008501800000000, -0.0066320700000000 ] - [ -0.0014788600000000, -0.0001260300000000, 0.0005617000000000 ] - [ -0.0014984600000000, 0.0023418700000000, 0.0005387600000000 ] - [ -0.0015361900000000, 0.0002455000000000, 0.0005421800000000 ] - [ -0.0000709200000000, -0.0008569400000000, 0.0076665200000000 ] - [ -0.0015912900000000, -0.0001314800000000, 0.0004809600000000 ] - [ 0.0017655100000000, -0.0018383200000000, 0.0007789100000000 ] - [ 0.0017575500000000, -0.0006230500000000, 0.0008408500000000 ] - [ 0.0008580400000000, 0.0008537100000000, 0.0009435800000000 ] - [ 0.0019599900000000, 0.0003410000000000, 0.0009241500000000 ] - [ 0.0026552800000000, 0.0008547600000000, 0.0006708800000000 ] - [ 0.0015055600000000, 0.0003181800000000, 0.0007609800000000 ] - [ -0.0014670300000000, -0.0003044200000000, -0.0010240900000000 ] - [ -0.0038446200000000, -0.0008725500000000, -0.0000909000000000 ] - [ -0.0017555200000000, 0.0005626300000000, -0.0008440600000000 ] - [ -0.0017665900000000, 0.0019743100000000, -0.0007835600000000 ] - [ -0.0019667000000000, -0.0002649400000000, -0.0006641800000000 ] - [ 0.0003268600000000, -0.0008887200000000, -0.0014931000000000 ] - [ -0.0002637900000000, -0.0960717900000000, 0.0022857800000000 ] - [ -0.0001641700000000, -0.0000430200000000, 0.0018107600000000 ] - [ -0.0003363400000000, 0.0181945700000000, 0.0030494900000000 ] - [ -0.0000824500000000, 0.0000356600000000, 0.0017857600000000 ] - [ 0.0001311400000000, 0.0179669300000000, 0.0005285700000000 ] - [ -0.0001456600000000, 0.0000248900000000, 0.0017668700000000 ] - [ 0.0093995400000000, -0.0006163200000000, -0.0009913900000000 ] - [ 0.0000166600000000, -0.0000457300000000, -0.0017881700000000 ] - [ 0.0001407300000000, 0.0029116000000000, -0.0017944200000000 ] - [ 0.0001241200000000, 0.0001861300000000, -0.0017879700000000 ] - [ -0.0091242600000000, -0.0005826500000000, -0.0025972400000000 ] - [ 0.0001895900000000, -0.0001084100000000, -0.0017473000000000 ] - [ 0.0015407400000000, -0.0007095200000000, -0.0005136600000000 ] - [ 0.0015209300000000, -0.0017103400000000, -0.0005324100000000 ] - [ 0.0018839900000000, 0.0003578700000000, -0.0000006600000000 ] - [ 0.0008474800000000, 0.0008482200000000, -0.0007926200000000 ] - [ 0.0011739600000000, 0.0003484800000000, -0.0010456700000000 ] - [ 0.0021379200000000, 0.0008488800000000, -0.0002606200000000 ] - [ 0.0016235000000000, 0.0018604500000000, 0.0006013200000000 ] - [ 0.0014919300000000, 0.0002149400000000, 0.0006213300000000 ] - [ 0.0036588200000000, -0.0010154200000000, 0.0006045000000000 ] - [ 0.0014326400000000, -0.0001106900000000, 0.0006912600000000 ] - [ -0.0005848000000000, -0.0010089800000000, 0.0006364600000000 ] - [ 0.0016426600000000, -0.0001252600000000, 0.0005871100000000 ] - [ -0.0028974400000000, 0.0000938500000000, -0.0004860400000000 ] - [ -0.0015350100000000, 0.0004695900000000, -0.0005992000000000 ] - [ -0.0014989800000000, -0.0003751900000000, -0.0006174800000000 ] - [ -0.0015521900000000, -0.0006807600000000, -0.0006463200000000 ] - [ -0.0001293100000000, 0.0000552200000000, -0.0007418300000000 ] - [ -0.0016518900000000, 0.0004943800000000, -0.0006740500000000 ] - [ -0.0004679100000000, 0.0025826400000000, 0.0006964800000000 ] - [ -0.0004528200000000, 0.0000460100000000, 0.0006006600000000 ] - [ -0.0015736400000000, -0.0016386800000000, 0.0000161500000000 ] - [ -0.0003275500000000, -0.0000902400000000, 0.0008615900000000 ] - [ 0.0006081600000000, -0.0016215100000000, 0.0014521900000000 ] - [ -0.0005564900000000, 0.0000445700000000, 0.0004233200000000 ] - [ 0.0000541200000000, 0.0237120900000000, -0.0189251900000000 ] - [ 0.0004569000000000, 0.0000676500000000, -0.0007953800000000 ] - [ 0.0004693500000000, -0.0056051900000000, -0.0006743600000000 ] - [ 0.0004733100000000, -0.0000142700000000, -0.0006985900000000 ] - [ 0.0009456400000000, 0.0228921000000000, 0.0166879900000000 ] - [ 0.0004979800000000, -0.0000810600000000, -0.0006644100000000 ] - [ -0.0004276400000000, 0.0021637300000000, -0.0003509700000000 ] - [ -0.0003944100000000, 0.0000875400000000, -0.0003777500000000 ] - [ 0.0000515400000000, -0.0010918500000000, -0.0001036200000000 ] - [ -0.0006742800000000, -0.0000346800000000, -0.0005106200000000 ] - [ -0.0008841400000000, -0.0010861300000000, -0.0006317400000000 ] - [ -0.0001108700000000, 0.0000057700000000, -0.0002503200000000 ] - [ 0.0002865200000000, 0.0001442900000000, 0.0004095000000000 ] - [ 0.0024193500000000, 0.0004102700000000, 0.0010660900000000 ] - [ 0.0004044400000000, -0.0002890800000000, 0.0003748900000000 ] - [ 0.0004276100000000, -0.0005750500000000, 0.0003565800000000 ] - [ 0.0005306900000000, 0.0001213900000000, 0.0003447500000000 ] - [ -0.0015744300000000, 0.0004270200000000, -0.0003252700000000 ] - [ 0.0005493200000000, 0.0039998300000000, -0.0002553200000000 ] - [ 0.0005370300000000, 0.0001054700000000, -0.0002820700000000 ] - [ 0.0001362600000000, -0.0017176300000000, 0.0000811400000000 ] - [ 0.0005238900000000, -0.0000609200000000, -0.0002971300000000 ] - [ 0.0010108200000000, -0.0017513800000000, -0.0005813500000000 ] - [ 0.0005530800000000, -0.0000616000000000, -0.0002364000000000 ] - [ -0.0008402400000000, 0.0007337500000000, -0.0000051800000000 ] - [ -0.0003274800000000, 0.0001360600000000, 0.0004123800000000 ] - [ -0.0005265400000000, -0.0015511800000000, 0.0002915400000000 ] - [ -0.0005788900000000, -0.0002392400000000, 0.0002496800000000 ] - [ -0.0002581800000000, 0.0007210800000000, 0.0005590300000000 ] - [ -0.0007989300000000, 0.0001293000000000, 0.0000954400000000 ] - [ 0.0017855100000000, 0.0010963600000000, 0.0015561800000000 ] - [ 0.0017770900000000, 0.0005359200000000, 0.0015724200000000 ] - [ 0.0012896800000000, -0.0004748100000000, 0.0014909800000000 ] - [ 0.0019210900000000, -0.0002836200000000, 0.0015038900000000 ] - [ 0.0022307600000000, -0.0005154500000000, 0.0015819700000000 ] - [ 0.0016198500000000, -0.0002583800000000, 0.0016124400000000 ] - [ -0.0006667000000000, 0.0007714300000000, -0.0017604400000000 ] - [ -0.0018268000000000, 0.0000764300000000, -0.0015472500000000 ] - [ -0.0017741600000000, -0.0014860600000000, -0.0015503700000000 ] - [ -0.0017949200000000, -0.0001628200000000, -0.0015589500000000 ] - [ -0.0028935200000000, 0.0007529900000000, -0.0013546600000000 ] - [ -0.0017644800000000, 0.0000660100000000, -0.0015411500000000 ] - [ 0.0013708100000000, 0.0071930400000000, 0.0012656500000000 ] - [ 0.0015570900000000, 0.0000668800000000, 0.0013274800000000 ] - [ 0.0001993900000000, -0.0018555700000000, 0.0011281500000000 ] - [ 0.0015240100000000, -0.0000680300000000, 0.0012845500000000 ] - [ 0.0027885200000000, -0.0018885400000000, 0.0013757800000000 ] - [ 0.0014852000000000, -0.0000083300000000, 0.0013175600000000 ] - [ -0.0032931500000000, 0.0100784900000000, 0.0035648700000000 ] - [ -0.0014369200000000, 0.0000591200000000, -0.0012358600000000 ] - [ -0.0015229800000000, -0.0057969900000000, -0.0013053400000000 ] - [ -0.0015226400000000, -0.0000844500000000, -0.0012959600000000 ] - [ 0.0002862300000000, 0.0095959000000000, -0.0056703400000000 ] - [ -0.0014584600000000, 0.0000283100000000, -0.0013141100000000 ]- atom: 31 displacement: [ -0.0032259099543045, 0.0000000000000000, 0.0094653845651785 ] forces: - [ -0.0003538700000000, 0.0000000000000000, 0.0135338000000000 ] - [ 0.0010483300000000, 0.0000000000000000, 0.0006146100000000 ] - [ 0.0000722900000000, 0.0028136300000000, 0.0045165500000000 ] - [ 0.0010086000000000, -0.0000311600000000, 0.0005909700000000 ] - [ 0.0000722900000000, -0.0028136300000000, 0.0045165500000000 ] - [ 0.0010086000000000, 0.0000311600000000, 0.0005909700000000 ] - [ -0.0072425500000000, -0.0022271400000000, 0.0023090500000000 ] - [ -0.0014489000000000, 0.0002001100000000, -0.0007793600000000 ] - [ -0.0019982600000000, 0.0000000000000000, -0.0007826400000000 ] - [ -0.0012688300000000, 0.0000000000000000, -0.0006980400000000 ] - [ -0.0072425500000000, 0.0022271400000000, 0.0023090500000000 ] - [ -0.0014489000000000, -0.0002001100000000, -0.0007793600000000 ] - [ 0.0005677500000000, -0.0010617800000000, 0.0077414500000000 ] - [ -0.0007907700000000, 0.0000379700000000, 0.0005786200000000 ] - [ -0.0001297500000000, 0.0000000000000000, 0.0013086100000000 ] - [ -0.0007721900000000, 0.0000000000000000, 0.0005797000000000 ] - [ 0.0005677500000000, 0.0010617800000000, 0.0077414500000000 ] - [ -0.0007907700000000, -0.0000379700000000, 0.0005786200000000 ] - [ -0.0011681700000000, 0.0000000000000000, 0.0054463700000000 ] - [ 0.0020732300000000, 0.0000000000000000, 0.0009087900000000 ] - [ 0.0016964500000000, 0.0008271500000000, 0.0016842100000000 ] - [ 0.0020678100000000, 0.0000329000000000, 0.0009400100000000 ] - [ 0.0016964500000000, -0.0008271500000000, 0.0016842100000000 ] - [ 0.0020678100000000, -0.0000329000000000, 0.0009400100000000 ] - [ -0.0026217200000000, -0.0002936800000000, -0.0014094200000000 ] - [ -0.0032186700000000, 0.0037306700000000, -0.0043855100000000 ] - [ -0.0024412800000000, 0.0000000000000000, -0.0012617600000000 ] - [ -0.0019296700000000, 0.0000000000000000, -0.0015228100000000 ] - [ -0.0026217200000000, 0.0002936800000000, -0.0014094200000000 ] - [ -0.0032186700000000, -0.0037306700000000, -0.0043855100000000 ] - [ 0.0349727100000000, 0.0000000000000000, -0.0787501000000000 ] - [ -0.0000205300000000, 0.0000000000000000, 0.0019268300000000 ] - [ 0.0012847400000000, -0.0012759700000000, -0.0087936900000000 ] - [ 0.0000278700000000, 0.0000195000000000, 0.0019216800000000 ] - [ 0.0012847400000000, 0.0012759700000000, -0.0087936900000000 ] - [ 0.0000278700000000, -0.0000195000000000, 0.0019216800000000 ] - [ 0.0063370200000000, -0.0022218600000000, -0.0058632300000000 ] - [ -0.0008990800000000, -0.0000024500000000, -0.0015575500000000 ] - [ -0.0002005600000000, 0.0000000000000000, -0.0034609200000000 ] - [ -0.0004233100000000, 0.0000000000000000, -0.0016302600000000 ] - [ 0.0063370200000000, 0.0022218600000000, -0.0058632300000000 ] - [ -0.0008990800000000, 0.0000024500000000, -0.0015575500000000 ] - [ 0.0006936400000000, 0.0000000000000000, 0.0004693700000000 ] - [ 0.0015002400000000, 0.0000000000000000, -0.0003570600000000 ] - [ 0.0007623500000000, 0.0000320900000000, -0.0000337400000000 ] - [ 0.0013645900000000, -0.0004367100000000, -0.0003972700000000 ] - [ 0.0007623500000000, -0.0000320900000000, -0.0000337400000000 ] - [ 0.0013645900000000, 0.0004367100000000, -0.0003972700000000 ] - [ -0.0131759700000000, 0.0000000000000000, 0.0047693000000000 ] - [ 0.0017908400000000, 0.0000000000000000, 0.0008203200000000 ] - [ 0.0010462100000000, -0.0006209200000000, 0.0013643200000000 ] - [ 0.0017412300000000, 0.0000092400000000, 0.0007898200000000 ] - [ 0.0010462100000000, 0.0006209200000000, 0.0013643200000000 ] - [ 0.0017412300000000, -0.0000092400000000, 0.0007898200000000 ] - [ -0.0019280600000000, 0.0001608400000000, -0.0001766000000000 ] - [ -0.0006429400000000, -0.0006465800000000, -0.0010495800000000 ] - [ -0.0013598800000000, 0.0000000000000000, -0.0004353600000000 ] - [ -0.0014123100000000, 0.0000000000000000, -0.0007289800000000 ] - [ -0.0019280600000000, -0.0001608400000000, -0.0001766000000000 ] - [ -0.0006429400000000, 0.0006465800000000, -0.0010495800000000 ] - [ -0.0008724700000000, 0.0000000000000000, 0.0007291300000000 ] - [ 0.0000615000000000, 0.0000000000000000, 0.0001832800000000 ] - [ -0.0006712300000000, -0.0006985500000000, 0.0004981600000000 ] - [ 0.0001050400000000, -0.0000500100000000, 0.0002714600000000 ] - [ -0.0006712300000000, 0.0006985500000000, 0.0004981600000000 ] - [ 0.0001050400000000, 0.0000500100000000, 0.0002714600000000 ] - [ -0.0013096300000000, -0.0185546100000000, 0.0205094200000000 ] - [ -0.0000472600000000, -0.0000108400000000, -0.0005846000000000 ] - [ -0.0000793700000000, 0.0000000000000000, 0.0004715100000000 ] - [ -0.0000391000000000, 0.0000000000000000, -0.0005707200000000 ] - [ -0.0013096300000000, 0.0185546100000000, 0.0205094200000000 ] - [ -0.0000472600000000, 0.0000108400000000, -0.0005846000000000 ] - [ -0.0005006900000000, 0.0000000000000000, -0.0022735800000000 ] - [ -0.0006643700000000, 0.0000000000000000, -0.0003408100000000 ] - [ -0.0007494200000000, 0.0003431900000000, -0.0010571400000000 ] - [ -0.0006223600000000, 0.0000270800000000, -0.0002877400000000 ] - [ -0.0007494200000000, -0.0003431900000000, -0.0010571400000000 ] - [ -0.0006223600000000, -0.0000270800000000, -0.0002877400000000 ] - [ 0.0006136700000000, 0.0000538300000000, 0.0000590200000000 ] - [ -0.0011777800000000, -0.0001368300000000, 0.0004913700000000 ] - [ 0.0006238500000000, 0.0000000000000000, 0.0000854100000000 ] - [ 0.0001576600000000, 0.0000000000000000, 0.0005184200000000 ] - [ 0.0006136700000000, -0.0000538300000000, 0.0000590200000000 ] - [ -0.0011777800000000, 0.0001368300000000, 0.0004913700000000 ] - [ 0.0001777800000000, 0.0000000000000000, -0.0028214900000000 ] - [ -0.0005520100000000, 0.0000000000000000, -0.0005445300000000 ] - [ -0.0000522400000000, 0.0011530500000000, -0.0020541200000000 ] - [ -0.0005668300000000, -0.0000067200000000, -0.0005539900000000 ] - [ -0.0000522400000000, -0.0011530500000000, -0.0020541200000000 ] - [ -0.0005668300000000, 0.0000067200000000, -0.0005539900000000 ] - [ 0.0005907300000000, -0.0001568000000000, -0.0010859100000000 ] - [ 0.0002948700000000, -0.0000137100000000, 0.0006652700000000 ] - [ 0.0005304900000000, 0.0000000000000000, 0.0001611700000000 ] - [ 0.0004464200000000, 0.0000000000000000, 0.0007619500000000 ] - [ 0.0005907300000000, 0.0001568000000000, -0.0010859100000000 ] - [ 0.0002948700000000, 0.0000137100000000, 0.0006652700000000 ] - [ 0.0039243200000000, 0.0000000000000000, 0.0016595500000000 ] - [ 0.0038143500000000, 0.0000000000000000, 0.0028144900000000 ] - [ 0.0032624800000000, 0.0003012800000000, 0.0017589300000000 ] - [ 0.0032319600000000, -0.0004962700000000, 0.0022678500000000 ] - [ 0.0032624800000000, -0.0003012800000000, 0.0017589300000000 ] - [ 0.0032319600000000, 0.0004962700000000, 0.0022678500000000 ] - [ -0.0012994900000000, -0.0003944500000000, -0.0034008600000000 ] - [ -0.0026961000000000, 0.0000019800000000, -0.0016683700000000 ] - [ -0.0024981100000000, 0.0000000000000000, -0.0021365000000000 ] - [ -0.0026534900000000, 0.0000000000000000, -0.0016506300000000 ] - [ -0.0012994900000000, 0.0003944500000000, -0.0034008600000000 ] - [ -0.0026961000000000, -0.0000019800000000, -0.0016683700000000 ] - [ -0.0084985200000000, 0.0000000000000000, 0.0080753500000000 ] - [ 0.0015001000000000, 0.0000000000000000, 0.0020659000000000 ] - [ 0.0015508700000000, 0.0004953900000000, 0.0041259500000000 ] - [ 0.0014375400000000, -0.0000623900000000, 0.0020867400000000 ] - [ 0.0015508700000000, -0.0004953900000000, 0.0041259500000000 ] - [ 0.0014375400000000, 0.0000623900000000, 0.0020867400000000 ] - [ -0.0037071200000000, 0.0055081200000000, 0.0093856800000000 ] - [ -0.0011771500000000, -0.0000045600000000, -0.0021916100000000 ] - [ -0.0014324000000000, 0.0000000000000000, -0.0002020500000000 ] - [ -0.0012598900000000, 0.0000000000000000, -0.0021881000000000 ] - [ -0.0037071200000000, -0.0055081200000000, 0.0093856800000000 ] - [ -0.0011771500000000, 0.0000045600000000, -0.0021916100000000 ]- atom: 31 displacement: [ 0.0032259099543045, 0.0000000000000000, -0.0094653845651785 ] forces: - [ 0.0024017500000000, 0.0000000000000000, -0.0121964900000000 ] - [ 0.0009945400000000, 0.0000000000000000, 0.0005634600000000 ] - [ 0.0019758500000000, -0.0027986700000000, -0.0033335100000000 ] - [ 0.0010339200000000, 0.0000328400000000, 0.0005868000000000 ] - [ 0.0019758500000000, 0.0027986700000000, -0.0033335100000000 ] - [ 0.0010339200000000, -0.0000328400000000, 0.0005868000000000 ] - [ 0.0052369400000000, 0.0022579200000000, -0.0034922700000000 ] - [ -0.0005934400000000, -0.0002010200000000, -0.0003983700000000 ] - [ -0.0000492000000000, 0.0000000000000000, -0.0003999600000000 ] - [ -0.0007751000000000, 0.0000000000000000, -0.0004795800000000 ] - [ 0.0052369400000000, -0.0022579200000000, -0.0034922700000000 ] - [ -0.0005934400000000, 0.0002010200000000, -0.0003983700000000 ] - [ -0.0019720700000000, 0.0010787500000000, -0.0065800600000000 ] - [ -0.0006080300000000, -0.0000360200000000, 0.0005717800000000 ] - [ -0.0012760800000000, 0.0000000000000000, -0.0001506100000000 ] - [ -0.0006266700000000, 0.0000000000000000, 0.0005722500000000 ] - [ -0.0019720700000000, -0.0010787500000000, -0.0065800600000000 ] - [ -0.0006080300000000, 0.0000360200000000, 0.0005717800000000 ] - [ 0.0053804800000000, 0.0000000000000000, -0.0031646900000000 ] - [ 0.0021489500000000, 0.0000000000000000, 0.0013945500000000 ] - [ 0.0025253200000000, -0.0008244200000000, 0.0006112000000000 ] - [ 0.0021533800000000, -0.0000343900000000, 0.0013610400000000 ] - [ 0.0025253200000000, 0.0008244200000000, 0.0006112000000000 ] - [ 0.0021533800000000, 0.0000343900000000, 0.0013610400000000 ] - [ -0.0015990000000000, 0.0002917300000000, -0.0008924000000000 ] - [ -0.0010038200000000, -0.0037369300000000, 0.0020910000000000 ] - [ -0.0017821800000000, 0.0000000000000000, -0.0010383500000000 ] - [ -0.0022929100000000, 0.0000000000000000, -0.0007700300000000 ] - [ -0.0015990000000000, -0.0002917300000000, -0.0008924000000000 ] - [ -0.0010038200000000, 0.0037369300000000, 0.0020910000000000 ] - [ -0.0344077300000000, 0.0000000000000000, 0.0828267600000000 ] - [ 0.0005389700000000, 0.0000000000000000, 0.0017871700000000 ] - [ -0.0007676100000000, 0.0012556400000000, 0.0124974200000000 ] - [ 0.0004915800000000, -0.0000221400000000, 0.0017938800000000 ] - [ -0.0007676100000000, -0.0012556400000000, 0.0124974200000000 ] - [ 0.0004915800000000, 0.0000221400000000, 0.0017938800000000 ] - [ -0.0068500600000000, 0.0022118400000000, 0.0021237400000000 ] - [ 0.0003781300000000, 0.0000066200000000, -0.0021580000000000 ] - [ -0.0003225400000000, 0.0000000000000000, -0.0002489300000000 ] - [ -0.0000932400000000, 0.0000000000000000, -0.0020851500000000 ] - [ -0.0068500600000000, -0.0022118400000000, 0.0021237400000000 ] - [ 0.0003781300000000, -0.0000066200000000, -0.0021580000000000 ] - [ 0.0007099100000000, 0.0000000000000000, -0.0016141300000000 ] - [ -0.0000941400000000, 0.0000000000000000, -0.0007898600000000 ] - [ 0.0006362200000000, -0.0000294300000000, -0.0011191700000000 ] - [ 0.0000436100000000, 0.0004334000000000, -0.0007552500000000 ] - [ 0.0006362200000000, 0.0000294300000000, -0.0011191700000000 ] - [ 0.0000436100000000, -0.0004334000000000, -0.0007552500000000 ] - [ 0.0160041200000000, 0.0000000000000000, -0.0034976600000000 ] - [ 0.0012675600000000, 0.0000000000000000, 0.0005232500000000 ] - [ 0.0020080000000000, 0.0006195900000000, -0.0000054700000000 ] - [ 0.0013138400000000, -0.0000113600000000, 0.0005620900000000 ] - [ 0.0020080000000000, -0.0006195900000000, -0.0000054700000000 ] - [ 0.0013138400000000, 0.0000113600000000, 0.0005620900000000 ] - [ -0.0011366100000000, -0.0001607600000000, -0.0011718600000000 ] - [ -0.0024049600000000, 0.0006474700000000, -0.0003064700000000 ] - [ -0.0017006500000000, 0.0000000000000000, -0.0009120600000000 ] - [ -0.0016378300000000, 0.0000000000000000, -0.0006290600000000 ] - [ -0.0011366100000000, 0.0001607600000000, -0.0011718600000000 ] - [ -0.0024049600000000, -0.0006474700000000, -0.0003064700000000 ] - [ 0.0010873100000000, 0.0000000000000000, 0.0003795200000000 ] - [ 0.0001584800000000, 0.0000000000000000, 0.0009392400000000 ] - [ 0.0008839800000000, 0.0006951200000000, 0.0006197700000000 ] - [ 0.0001177100000000, 0.0000488700000000, 0.0008485000000000 ] - [ 0.0008839800000000, -0.0006951200000000, 0.0006197700000000 ] - [ 0.0001177100000000, -0.0000488700000000, 0.0008485000000000 ] - [ 0.0010930800000000, 0.0193641100000000, -0.0221426900000000 ] - [ -0.0001749600000000, 0.0000115600000000, -0.0005333700000000 ] - [ -0.0001346700000000, 0.0000000000000000, -0.0015814800000000 ] - [ -0.0001785900000000, 0.0000000000000000, -0.0005506900000000 ] - [ 0.0010930800000000, -0.0193641100000000, -0.0221426900000000 ] - [ -0.0001749600000000, -0.0000115600000000, -0.0005333700000000 ] - [ -0.0004928400000000, 0.0000000000000000, 0.0017748800000000 ] - [ -0.0003263000000000, 0.0000000000000000, -0.0001688800000000 ] - [ -0.0002399000000000, -0.0003467000000000, 0.0005473000000000 ] - [ -0.0003602700000000, -0.0000289900000000, -0.0002179000000000 ] - [ -0.0002399000000000, 0.0003467000000000, 0.0005473000000000 ] - [ -0.0003602700000000, 0.0000289900000000, -0.0002179000000000 ] - [ 0.0003685200000000, -0.0000567700000000, 0.0004520700000000 ] - [ 0.0021688600000000, 0.0001304500000000, 0.0000150000000000 ] - [ 0.0003621000000000, 0.0000000000000000, 0.0004209900000000 ] - [ 0.0008319900000000, 0.0000000000000000, -0.0000185000000000 ] - [ 0.0003685200000000, 0.0000567700000000, 0.0004520700000000 ] - [ 0.0021688600000000, -0.0001304500000000, 0.0000150000000000 ] - [ -0.0013992400000000, 0.0000000000000000, 0.0015129500000000 ] - [ -0.0006701700000000, 0.0000000000000000, -0.0007740600000000 ] - [ -0.0011549600000000, -0.0011536800000000, 0.0007363300000000 ] - [ -0.0006547900000000, 0.0000093900000000, -0.0007632900000000 ] - [ -0.0011549600000000, 0.0011536800000000, 0.0007363300000000 ] - [ -0.0006547900000000, -0.0000093900000000, -0.0007632900000000 ] - [ 0.0006231700000000, 0.0001497000000000, 0.0023930300000000 ] - [ 0.0009289900000000, 0.0000135600000000, 0.0006511500000000 ] - [ 0.0006902200000000, 0.0000000000000000, 0.0011554800000000 ] - [ 0.0007675500000000, 0.0000000000000000, 0.0005532900000000 ] - [ 0.0006231700000000, -0.0001497000000000, 0.0023930300000000 ] - [ 0.0009289900000000, -0.0000135600000000, 0.0006511500000000 ] - [ 0.0015826500000000, 0.0000000000000000, 0.0018208800000000 ] - [ 0.0016896300000000, 0.0000000000000000, 0.0006635500000000 ] - [ 0.0022390300000000, -0.0003007800000000, 0.0017128800000000 ] - [ 0.0022721000000000, 0.0004928300000000, 0.0012080000000000 ] - [ 0.0022390300000000, 0.0003007800000000, 0.0017128800000000 ] - [ 0.0022721000000000, -0.0004928300000000, 0.0012080000000000 ] - [ -0.0041961300000000, 0.0003891500000000, -0.0000698800000000 ] - [ -0.0028115000000000, -0.0000060400000000, -0.0018059600000000 ] - [ -0.0030059400000000, 0.0000000000000000, -0.0013466600000000 ] - [ -0.0028502800000000, 0.0000000000000000, -0.0018284700000000 ] - [ -0.0041961300000000, -0.0003891500000000, -0.0000698800000000 ] - [ -0.0028115000000000, 0.0000060400000000, -0.0018059600000000 ] - [ 0.0111620800000000, 0.0000000000000000, -0.0038007900000000 ] - [ 0.0011295500000000, 0.0000000000000000, 0.0021905200000000 ] - [ 0.0010741700000000, -0.0005036900000000, 0.0001442700000000 ] - [ 0.0011952300000000, 0.0000606700000000, 0.0021751300000000 ] - [ 0.0010741700000000, 0.0005036900000000, 0.0001442700000000 ] - [ 0.0011952300000000, -0.0000606700000000, 0.0021751300000000 ] - [ 0.0011146700000000, -0.0051265500000000, -0.0133273300000000 ] - [ -0.0014556800000000, 0.0000012200000000, -0.0020755900000000 ] - [ -0.0012018600000000, 0.0000000000000000, -0.0040639800000000 ] - [ -0.0013746900000000, 0.0000000000000000, -0.0020757300000000 ] - [ 0.0011146700000000, 0.0051265500000000, -0.0133273300000000 ] - [ -0.0014556800000000, -0.0000012200000000, -0.0020755900000000 ]- atom: 49 displacement: [ 0.0099999760773639, 0.0000000000000000, -0.0000218735491084 ] forces: - [ 0.0015964400000000, 0.0000000000000000, -0.0015685000000000 ] - [ 0.0001769300000000, 0.0000000000000000, 0.0003322900000000 ] - [ 0.0021298200000000, -0.0007377000000000, -0.0001987900000000 ] - [ 0.0002204900000000, 0.0000537300000000, 0.0003307300000000 ] - [ 0.0021298200000000, 0.0007377000000000, -0.0001987900000000 ] - [ 0.0002204900000000, -0.0000537300000000, 0.0003307300000000 ] - [ -0.0021920400000000, -0.0006623000000000, 0.0005860700000000 ] - [ -0.0030706900000000, 0.0008342100000000, -0.0011751200000000 ] - [ -0.0012459300000000, 0.0000000000000000, -0.0003888300000000 ] - [ -0.0021448900000000, 0.0000000000000000, -0.0010198700000000 ] - [ -0.0021920400000000, 0.0006623000000000, 0.0005860700000000 ] - [ -0.0030706900000000, -0.0008342100000000, -0.0011751200000000 ] - [ 0.0016244300000000, 0.0004279200000000, 0.0028476500000000 ] - [ -0.0017531200000000, 0.0000380800000000, 0.0001533600000000 ] - [ 0.0007515300000000, 0.0000000000000000, 0.0014036600000000 ] - [ -0.0016918400000000, 0.0000000000000000, 0.0001570900000000 ] - [ 0.0016244300000000, -0.0004279200000000, 0.0028476500000000 ] - [ -0.0017531200000000, -0.0000380800000000, 0.0001533600000000 ] - [ 0.0136687400000000, 0.0000000000000000, -0.0055857900000000 ] - [ 0.0011776400000000, 0.0000000000000000, 0.0005173300000000 ] - [ 0.0042343100000000, 0.0011448800000000, 0.0025289900000000 ] - [ 0.0013041900000000, -0.0001840500000000, 0.0006373400000000 ] - [ 0.0042343100000000, -0.0011448800000000, 0.0025289900000000 ] - [ 0.0013041900000000, 0.0001840500000000, 0.0006373400000000 ] - [ -0.0030177600000000, -0.0002093700000000, -0.0014235100000000 ] - [ 0.0111891000000000, -0.0098590400000000, 0.0052263800000000 ] - [ -0.0027932400000000, 0.0000000000000000, -0.0015055400000000 ] - [ -0.0007011700000000, 0.0000000000000000, -0.0003899100000000 ] - [ -0.0030177600000000, 0.0002093700000000, -0.0014235100000000 ] - [ 0.0111891000000000, 0.0098590400000000, 0.0052263800000000 ] - [ 0.0325284900000000, 0.0000000000000000, -0.0030482500000000 ] - [ -0.0008784200000000, 0.0000000000000000, 0.0017355700000000 ] - [ 0.0017299600000000, -0.0021455600000000, 0.0018335800000000 ] - [ -0.0006982100000000, 0.0000774300000000, 0.0017452500000000 ] - [ 0.0017299600000000, 0.0021455600000000, 0.0018335800000000 ] - [ -0.0006982100000000, -0.0000774300000000, 0.0017452500000000 ] - [ -0.0023109100000000, -0.0013741400000000, -0.0029665900000000 ] - [ -0.0023569000000000, 0.0000513700000000, -0.0016266400000000 ] - [ -0.0006898500000000, 0.0000000000000000, -0.0018139900000000 ] - [ -0.0004390500000000, 0.0000000000000000, -0.0017882100000000 ] - [ -0.0023109100000000, 0.0013741400000000, -0.0029665900000000 ] - [ -0.0023569000000000, -0.0000513700000000, -0.0016266400000000 ] - [ -0.0001599100000000, 0.0000000000000000, -0.0008814100000000 ] - [ 0.0012276400000000, 0.0000000000000000, -0.0011214200000000 ] - [ -0.0000466900000000, -0.0000535000000000, -0.0010668700000000 ] - [ 0.0014639900000000, 0.0001092600000000, -0.0008319900000000 ] - [ -0.0000466900000000, 0.0000535000000000, -0.0010668700000000 ] - [ 0.0014639900000000, -0.0001092600000000, -0.0008319900000000 ] - [ -0.0969258300000000, 0.0000000000000000, 0.0039775700000000 ] - [ 0.0024376100000000, 0.0000000000000000, 0.0008283300000000 ] - [ -0.0008020500000000, -0.0003574600000000, 0.0001070600000000 ] - [ 0.0023488800000000, 0.0000587700000000, 0.0008345500000000 ] - [ -0.0008020500000000, 0.0003574600000000, 0.0001070600000000 ] - [ 0.0023488800000000, -0.0000587700000000, 0.0008345500000000 ] - [ -0.0002011300000000, 0.0002101500000000, -0.0003775200000000 ] - [ 0.0028399400000000, -0.0045589100000000, -0.0039634900000000 ] - [ -0.0008855000000000, 0.0000000000000000, -0.0005128900000000 ] - [ -0.0020983800000000, 0.0000000000000000, -0.0008642700000000 ] - [ -0.0002011300000000, -0.0002101500000000, -0.0003775200000000 ] - [ 0.0028399400000000, 0.0045589100000000, -0.0039634900000000 ] - [ 0.0003530500000000, 0.0000000000000000, 0.0012606200000000 ] - [ 0.0003691300000000, 0.0000000000000000, 0.0002996100000000 ] - [ 0.0004944500000000, 0.0006656700000000, 0.0012862100000000 ] - [ 0.0003565300000000, -0.0002519400000000, 0.0002182000000000 ] - [ 0.0004944500000000, -0.0006656700000000, 0.0012862100000000 ] - [ 0.0003565300000000, 0.0002519400000000, 0.0002182000000000 ] - [ 0.0015505000000000, 0.0031419200000000, -0.0039026100000000 ] - [ 0.0004237500000000, -0.0000528600000000, -0.0003612800000000 ] - [ -0.0004202400000000, 0.0000000000000000, -0.0011124400000000 ] - [ 0.0004172100000000, 0.0000000000000000, -0.0003799600000000 ] - [ 0.0015505000000000, -0.0031419200000000, -0.0039026100000000 ] - [ 0.0004237500000000, 0.0000528600000000, -0.0003612800000000 ] - [ 0.0002349100000000, 0.0000000000000000, -0.0038999700000000 ] - [ 0.0001807100000000, 0.0000000000000000, -0.0000520000000000 ] - [ -0.0013207700000000, -0.0000689800000000, -0.0006320600000000 ] - [ 0.0001379200000000, -0.0000055500000000, -0.0000698600000000 ] - [ -0.0013207700000000, 0.0000689800000000, -0.0006320600000000 ] - [ 0.0001379200000000, 0.0000055500000000, -0.0000698600000000 ] - [ 0.0011097000000000, 0.0000649100000000, 0.0002851500000000 ] - [ -0.0010158500000000, -0.0001634900000000, 0.0010789700000000 ] - [ 0.0010288800000000, 0.0000000000000000, 0.0003507800000000 ] - [ -0.0002393800000000, 0.0000000000000000, 0.0003420500000000 ] - [ 0.0011097000000000, -0.0000649100000000, 0.0002851500000000 ] - [ -0.0010158500000000, 0.0001634900000000, 0.0010789700000000 ] - [ -0.0010680500000000, 0.0000000000000000, -0.0013830600000000 ] - [ 0.0002883300000000, 0.0000000000000000, -0.0001608400000000 ] - [ -0.0009507300000000, 0.0004297400000000, -0.0013110900000000 ] - [ 0.0001680800000000, -0.0000509900000000, -0.0001760100000000 ] - [ -0.0009507300000000, -0.0004297400000000, -0.0013110900000000 ] - [ 0.0001680800000000, 0.0000509900000000, -0.0001760100000000 ] - [ 0.0007715400000000, 0.0001039700000000, 0.0007430500000000 ] - [ 0.0007056700000000, -0.0002675800000000, 0.0010409500000000 ] - [ 0.0007232300000000, 0.0000000000000000, 0.0008081900000000 ] - [ 0.0006792300000000, 0.0000000000000000, 0.0009639900000000 ] - [ 0.0007715400000000, -0.0001039700000000, 0.0007430500000000 ] - [ 0.0007056700000000, 0.0002675800000000, 0.0010409500000000 ] - [ 0.0037420100000000, 0.0000000000000000, 0.0016155500000000 ] - [ 0.0078607600000000, 0.0000000000000000, 0.0057676100000000 ] - [ 0.0032536100000000, 0.0001647500000000, 0.0018800300000000 ] - [ 0.0046397500000000, -0.0023930500000000, 0.0029116500000000 ] - [ 0.0032536100000000, -0.0001647500000000, 0.0018800300000000 ] - [ 0.0046397500000000, 0.0023930500000000, 0.0029116500000000 ] - [ -0.0048051500000000, -0.0002010300000000, -0.0023285300000000 ] - [ -0.0019707000000000, 0.0000150200000000, -0.0013817600000000 ] - [ -0.0038877600000000, 0.0000000000000000, -0.0023381200000000 ] - [ -0.0020141900000000, 0.0000000000000000, -0.0013817900000000 ] - [ -0.0048051500000000, 0.0002010300000000, -0.0023285300000000 ] - [ -0.0019707000000000, -0.0000150200000000, -0.0013817600000000 ] - [ 0.0091957100000000, 0.0000000000000000, 0.0027094800000000 ] - [ 0.0020237000000000, 0.0000000000000000, 0.0020977600000000 ] - [ 0.0013998100000000, 0.0005340800000000, 0.0019436600000000 ] - [ 0.0017584600000000, -0.0002104400000000, 0.0021224100000000 ] - [ 0.0013998100000000, -0.0005340800000000, 0.0019436600000000 ] - [ 0.0017584600000000, 0.0002104400000000, 0.0021224100000000 ] - [ 0.0014307800000000, 0.0035736200000000, 0.0004524500000000 ] - [ -0.0006618700000000, -0.0000782900000000, -0.0020259500000000 ] - [ -0.0015862600000000, 0.0000000000000000, -0.0018833300000000 ] - [ -0.0010141400000000, 0.0000000000000000, -0.0020350600000000 ] - [ 0.0014307800000000, -0.0035736200000000, 0.0004524500000000 ] - [ -0.0006618700000000, 0.0000782900000000, -0.0020259500000000 ]- atom: 49 displacement: [ -0.0099999760773639, 0.0000000000000000, 0.0000218735491084 ] forces: - [ 0.0004783800000000, 0.0000000000000000, 0.0028169200000000 ] - [ 0.0018734400000000, 0.0000000000000000, 0.0009204300000000 ] - [ -0.0000572100000000, 0.0007307100000000, 0.0014485700000000 ] - [ 0.0018305000000000, -0.0000559200000000, 0.0009232600000000 ] - [ -0.0000572100000000, -0.0007307100000000, 0.0014485700000000 ] - [ 0.0018305000000000, 0.0000559200000000, 0.0009232600000000 ] - [ 0.0001258800000000, 0.0006523600000000, -0.0018315900000000 ] - [ 0.0010075600000000, -0.0008380500000000, -0.0000820700000000 ] - [ -0.0008123500000000, 0.0000000000000000, -0.0008627900000000 ] - [ 0.0000708500000000, 0.0000000000000000, -0.0002384100000000 ] - [ 0.0001258800000000, -0.0006523600000000, -0.0018315900000000 ] - [ 0.0010075600000000, 0.0008380500000000, -0.0000820700000000 ] - [ -0.0029372700000000, -0.0004271300000000, -0.0016612700000000 ] - [ 0.0004362600000000, -0.0000350700000000, 0.0010076000000000 ] - [ -0.0020741900000000, 0.0000000000000000, -0.0002365400000000 ] - [ 0.0003745900000000, 0.0000000000000000, 0.0010063700000000 ] - [ -0.0029372700000000, 0.0004271300000000, -0.0016612700000000 ] - [ 0.0004362600000000, 0.0000350700000000, 0.0010076000000000 ] - [ -0.0095068100000000, 0.0000000000000000, 0.0083685900000000 ] - [ 0.0030779000000000, 0.0000000000000000, 0.0018425200000000 ] - [ 0.0000315100000000, -0.0011396200000000, -0.0001573900000000 ] - [ 0.0029561300000000, 0.0001789900000000, 0.0017199200000000 ] - [ 0.0000315100000000, 0.0011396200000000, -0.0001573900000000 ] - [ 0.0029561300000000, -0.0001789900000000, 0.0017199200000000 ] - [ -0.0012514800000000, 0.0002062300000000, -0.0009388300000000 ] - [ -0.0155737900000000, 0.0102569800000000, -0.0078294500000000 ] - [ -0.0014735000000000, 0.0000000000000000, -0.0008539500000000 ] - [ -0.0035562700000000, 0.0000000000000000, -0.0019713400000000 ] - [ -0.0012514800000000, -0.0002062300000000, -0.0009388300000000 ] - [ -0.0155737900000000, -0.0102569800000000, -0.0078294500000000 ] - [ -0.0301214700000000, 0.0000000000000000, 0.0064466200000000 ] - [ 0.0014428000000000, 0.0000000000000000, 0.0019615700000000 ] - [ -0.0011511400000000, 0.0021285200000000, 0.0018566600000000 ] - [ 0.0012575900000000, -0.0000845400000000, 0.0019472100000000 ] - [ -0.0011511400000000, -0.0021285200000000, 0.0018566600000000 ] - [ 0.0012575900000000, 0.0000845400000000, 0.0019472100000000 ] - [ 0.0017332300000000, 0.0013584700000000, -0.0007344900000000 ] - [ 0.0017850200000000, -0.0000516800000000, -0.0020622900000000 ] - [ 0.0001235800000000, 0.0000000000000000, -0.0018788700000000 ] - [ -0.0001184800000000, 0.0000000000000000, -0.0019041700000000 ] - [ 0.0017332300000000, -0.0013584700000000, -0.0007344900000000 ] - [ 0.0017850200000000, 0.0000516800000000, -0.0020622900000000 ] - [ 0.0014666500000000, 0.0000000000000000, -0.0002847100000000 ] - [ 0.0000908100000000, 0.0000000000000000, -0.0000444400000000 ] - [ 0.0013545200000000, 0.0000524900000000, -0.0001022000000000 ] - [ -0.0001315600000000, -0.0001094100000000, -0.0003365300000000 ] - [ 0.0013545200000000, -0.0000524900000000, -0.0001022000000000 ] - [ -0.0001315600000000, 0.0001094100000000, -0.0003365300000000 ] - [ 0.0983797600000000, 0.0000000000000000, -0.0022743700000000 ] - [ 0.0006416000000000, 0.0000000000000000, 0.0005313700000000 ] - [ 0.0038643000000000, 0.0003397100000000, 0.0012535300000000 ] - [ 0.0007299700000000, -0.0000589800000000, 0.0005296600000000 ] - [ 0.0038643000000000, -0.0003397100000000, 0.0012535300000000 ] - [ 0.0007299700000000, 0.0000589800000000, 0.0005296600000000 ] - [ -0.0028633000000000, -0.0002077800000000, -0.0009803200000000 ] - [ -0.0059414500000000, 0.0046013700000000, 0.0026197100000000 ] - [ -0.0021851500000000, 0.0000000000000000, -0.0008429900000000 ] - [ -0.0009732800000000, 0.0000000000000000, -0.0005026600000000 ] - [ -0.0028633000000000, 0.0002077800000000, -0.0009803200000000 ] - [ -0.0059414500000000, -0.0046013700000000, 0.0026197100000000 ] - [ -0.0001665400000000, 0.0000000000000000, -0.0001317000000000 ] - [ -0.0001815900000000, 0.0000000000000000, 0.0008161900000000 ] - [ -0.0003098400000000, -0.0006610100000000, -0.0001561900000000 ] - [ -0.0001688900000000, 0.0002452300000000, 0.0009026600000000 ] - [ -0.0003098400000000, 0.0006610100000000, -0.0001561900000000 ] - [ -0.0001688900000000, -0.0002452300000000, 0.0009026600000000 ] - [ -0.0017237800000000, -0.0031104900000000, 0.0027511500000000 ] - [ -0.0006050400000000, 0.0000589800000000, -0.0007615200000000 ] - [ 0.0002319200000000, 0.0000000000000000, -0.0000088800000000 ] - [ -0.0005977900000000, 0.0000000000000000, -0.0007426500000000 ] - [ -0.0017237800000000, 0.0031104900000000, 0.0027511500000000 ] - [ -0.0006050400000000, -0.0000589800000000, -0.0007615200000000 ] - [ -0.0012312600000000, 0.0000000000000000, 0.0033610400000000 ] - [ -0.0011645000000000, 0.0000000000000000, -0.0004614900000000 ] - [ 0.0003321100000000, 0.0000676600000000, 0.0001154900000000 ] - [ -0.0011182100000000, 0.0000041300000000, -0.0004452000000000 ] - [ 0.0003321100000000, -0.0000676600000000, 0.0001154900000000 ] - [ -0.0011182100000000, -0.0000041300000000, -0.0004452000000000 ] - [ -0.0001217000000000, -0.0000653900000000, 0.0002295100000000 ] - [ 0.0019986500000000, 0.0001541900000000, -0.0005479900000000 ] - [ -0.0000397400000000, 0.0000000000000000, 0.0001624500000000 ] - [ 0.0012217900000000, 0.0000000000000000, 0.0001717600000000 ] - [ -0.0001217000000000, 0.0000653900000000, 0.0002295100000000 ] - [ 0.0019986500000000, -0.0001541900000000, -0.0005479900000000 ] - [ -0.0000664200000000, 0.0000000000000000, 0.0000400000000000 ] - [ -0.0014169800000000, 0.0000000000000000, -0.0011726700000000 ] - [ -0.0001840100000000, -0.0004272200000000, -0.0000294200000000 ] - [ -0.0012959900000000, 0.0000526400000000, -0.0011546600000000 ] - [ -0.0001840100000000, 0.0004272200000000, -0.0000294200000000 ] - [ -0.0012959900000000, -0.0000526400000000, -0.0011546600000000 ] - [ 0.0003605100000000, -0.0001035800000000, 0.0005897700000000 ] - [ 0.0004289800000000, 0.0002687500000000, 0.0002941600000000 ] - [ 0.0004111700000000, 0.0000000000000000, 0.0005262700000000 ] - [ 0.0004536300000000, 0.0000000000000000, 0.0003741000000000 ] - [ 0.0003605100000000, 0.0001035800000000, 0.0005897700000000 ] - [ 0.0004289800000000, -0.0002687500000000, 0.0002941600000000 ] - [ 0.0017435700000000, 0.0000000000000000, 0.0018202500000000 ] - [ -0.0024030800000000, 0.0000000000000000, -0.0023591000000000 ] - [ 0.0022271000000000, -0.0001622200000000, 0.0015512800000000 ] - [ 0.0008545400000000, 0.0023690400000000, 0.0005339700000000 ] - [ 0.0022271000000000, 0.0001622200000000, 0.0015512800000000 ] - [ 0.0008545400000000, -0.0023690400000000, 0.0005339700000000 ] - [ -0.0006839600000000, 0.0001872700000000, -0.0011272300000000 ] - [ -0.0035040700000000, -0.0000148900000000, -0.0020498900000000 ] - [ -0.0015980200000000, 0.0000000000000000, -0.0011014900000000 ] - [ -0.0034597600000000, 0.0000000000000000, -0.0020527600000000 ] - [ -0.0006839600000000, -0.0001872700000000, -0.0011272300000000 ] - [ -0.0035040700000000, 0.0000148900000000, -0.0020498900000000 ] - [ -0.0065001400000000, 0.0000000000000000, 0.0015282000000000 ] - [ 0.0005938900000000, 0.0000000000000000, 0.0021344200000000 ] - [ 0.0012099900000000, -0.0005298200000000, 0.0022854700000000 ] - [ 0.0008573000000000, 0.0002070600000000, 0.0021102300000000 ] - [ 0.0012099900000000, 0.0005298200000000, 0.0022854700000000 ] - [ 0.0008573000000000, -0.0002070600000000, 0.0021102300000000 ] - [ -0.0040154400000000, -0.0035355000000000, -0.0046558700000000 ] - [ -0.0019424400000000, 0.0000775400000000, -0.0022042900000000 ] - [ -0.0010320200000000, 0.0000000000000000, -0.0023479500000000 ] - [ -0.0015991800000000, 0.0000000000000000, -0.0021974500000000 ] - [ -0.0040154400000000, 0.0035355000000000, -0.0046558700000000 ] - [ -0.0019424400000000, -0.0000775400000000, -0.0022042900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010193900000000, 0.0011769500000000, 0.0005762900000000 ] - [ 0.0010148700000000, 0.0002699700000000, 0.0005679100000000 ] - [ 0.0006756600000000, -0.0006438900000000, 0.0001327300000000 ] - [ 0.0011658000000000, -0.0001160600000000, 0.0005563300000000 ] - [ 0.0013570500000000, -0.0006532200000000, 0.0010028900000000 ] - [ 0.0008667700000000, -0.0001225500000000, 0.0005794200000000 ] - [ -0.0016109800000000, 0.0002278000000000, -0.0004457900000000 ] - [ -0.0003499400000000, 0.0006704500000000, -0.0003485900000000 ] - [ -0.0010151600000000, -0.0004148800000000, -0.0005649500000000 ] - [ -0.0010099700000000, -0.0012923000000000, -0.0005648700000000 ] - [ -0.0004138000000000, 0.0002186400000000, -0.0006898000000000 ] - [ -0.0016708600000000, 0.0006666700000000, -0.0007820800000000 ] - [ -0.0009798400000000, 0.0003323400000000, 0.0010041500000000 ] - [ -0.0006892400000000, 0.0000527800000000, 0.0005751900000000 ] - [ -0.0007073100000000, -0.0007918600000000, 0.0005705900000000 ] - [ -0.0006998000000000, -0.0001002300000000, 0.0005718100000000 ] - [ -0.0004322200000000, 0.0003232000000000, 0.0001421000000000 ] - [ -0.0007116100000000, 0.0000509900000000, 0.0005669100000000 ] - [ 0.0021219200000000, 0.0050544100000000, 0.0011234900000000 ] - [ 0.0021136100000000, 0.0001463200000000, 0.0011548700000000 ] - [ 0.0021264600000000, -0.0014107100000000, -0.0001919600000000 ] - [ 0.0020976200000000, -0.0000686600000000, 0.0011280800000000 ] - [ 0.0020902500000000, -0.0014235100000000, 0.0024829600000000 ] - [ 0.0021252900000000, -0.0000731400000000, 0.0011795300000000 ] - [ -0.0021312400000000, 0.0000609100000000, -0.0011104400000000 ] - [ -0.0137729600000000, 0.0182599600000000, -0.0094901600000000 ] - [ -0.0021085400000000, -0.0001284700000000, -0.0011527800000000 ] - [ -0.0021129500000000, -0.0048861300000000, -0.0011513700000000 ] - [ -0.0020841100000000, 0.0000575900000000, -0.0011937000000000 ] - [ 0.0089448800000000, 0.0176728700000000, 0.0066819100000000 ] - [ 0.0002174500000000, 0.0018546700000000, 0.0018691500000000 ] - [ 0.0002707500000000, 0.0002107900000000, 0.0018584200000000 ] - [ -0.0012810400000000, -0.0009859000000000, 0.0019875000000000 ] - [ 0.0004785500000000, -0.0001184200000000, 0.0019183600000000 ] - [ 0.0018043700000000, -0.0009994200000000, 0.0017306000000000 ] - [ 0.0000648700000000, -0.0001198800000000, 0.0017978500000000 ] - [ -0.0010159300000000, 0.0000844000000000, -0.0019429900000000 ] - [ 0.0014482900000000, 0.0004874300000000, -0.0019568900000000 ] - [ -0.0002682000000000, -0.0003939100000000, -0.0018585900000000 ] - [ -0.0002677400000000, -0.0006955200000000, -0.0018600500000000 ] - [ 0.0004859300000000, 0.0000770800000000, -0.0017701400000000 ] - [ -0.0019868900000000, 0.0004835800000000, -0.0017616600000000 ] - [ 0.0007062100000000, 0.0001223500000000, -0.0005692800000000 ] - [ 0.0006984300000000, 0.0017157400000000, -0.0005657700000000 ] - [ 0.0006568200000000, -0.0000610700000000, -0.0006344800000000 ] - [ 0.0009170500000000, -0.0008223000000000, 0.0002205100000000 ] - [ 0.0007530500000000, -0.0000620800000000, -0.0005026900000000 ] - [ 0.0004852100000000, -0.0008238700000000, -0.0013571900000000 ] - [ 0.0022016100000000, -0.0598523000000000, 0.0012098100000000 ] - [ 0.0015288800000000, -0.0000441000000000, 0.0006814200000000 ] - [ 0.0018822000000000, 0.0048214000000000, 0.0011129100000000 ] - [ 0.0014696500000000, 0.0000369200000000, 0.0006748800000000 ] - [ 0.0011840300000000, 0.0047730600000000, 0.0002642000000000 ] - [ 0.0015865600000000, 0.0000378000000000, 0.0006914300000000 ] - [ -0.0013255000000000, -0.0000008600000000, -0.0006708100000000 ] - [ -0.0061119300000000, 0.0013452500000000, 0.0021319400000000 ] - [ -0.0015330200000000, 0.0000697800000000, -0.0006830700000000 ] - [ -0.0015303600000000, 0.0009750300000000, -0.0006822000000000 ] - [ -0.0017424300000000, -0.0000001300000000, -0.0006957500000000 ] - [ 0.0030361100000000, 0.0013544900000000, -0.0034846900000000 ] - [ 0.0001265900000000, -0.0002578400000000, 0.0005434300000000 ] - [ 0.0001271000000000, -0.0004953700000000, 0.0005478800000000 ] - [ 0.0002724300000000, 0.0002634800000000, 0.0006431500000000 ] - [ -0.0001376800000000, 0.0002638500000000, 0.0005347600000000 ] - [ -0.0000235300000000, 0.0002663600000000, 0.0004442900000000 ] - [ 0.0003928400000000, 0.0002615300000000, 0.0005573700000000 ] - [ 0.0016646700000000, 0.0000255500000000, -0.0013894400000000 ] - [ -0.0001561100000000, -0.0000593100000000, -0.0005404000000000 ] - [ -0.0001240200000000, 0.0006477100000000, -0.0005442700000000 ] - [ -0.0001275800000000, 0.0001215800000000, -0.0005471100000000 ] - [ -0.0019121400000000, 0.0000377500000000, 0.0003041800000000 ] - [ -0.0001010000000000, -0.0000617000000000, -0.0005522900000000 ] - [ -0.0004886900000000, -0.0005741100000000, -0.0002832700000000 ] - [ -0.0005026300000000, -0.0000300600000000, -0.0002612500000000 ] - [ -0.0003294900000000, 0.0005138700000000, -0.0000832100000000 ] - [ -0.0004777100000000, 0.0000111400000000, -0.0002393900000000 ] - [ -0.0006632500000000, 0.0005164400000000, -0.0004414200000000 ] - [ -0.0005232400000000, 0.0000111600000000, -0.0002827600000000 ] - [ 0.0005075300000000, -0.0000263300000000, 0.0002527100000000 ] - [ 0.0005116600000000, 0.0000592100000000, -0.0024896000000000 ] - [ 0.0004997800000000, 0.0000457100000000, 0.0002603900000000 ] - [ 0.0005001600000000, 0.0007463100000000, 0.0002573500000000 ] - [ 0.0004889700000000, -0.0000248400000000, 0.0002707000000000 ] - [ 0.0004957500000000, 0.0000650500000000, 0.0029969900000000 ] - [ -0.0006159500000000, -0.0006043900000000, -0.0006759000000000 ] - [ -0.0006198500000000, -0.0001686900000000, -0.0006746600000000 ] - [ -0.0004515700000000, 0.0004318800000000, -0.0006029400000000 ] - [ -0.0006812300000000, 0.0001157000000000, -0.0006618000000000 ] - [ -0.0007778200000000, 0.0004350400000000, -0.0007449300000000 ] - [ -0.0005573900000000, 0.0001139000000000, -0.0006871000000000 ] - [ 0.0006970100000000, -0.0001101700000000, 0.0006783900000000 ] - [ 0.0004781400000000, -0.0002603600000000, 0.0005620900000000 ] - [ 0.0006165200000000, 0.0001972500000000, 0.0006709300000000 ] - [ 0.0006142800000000, 0.0006956600000000, 0.0006704400000000 ] - [ 0.0005340400000000, -0.0001102300000000, 0.0006659500000000 ] - [ 0.0007550100000000, -0.0002622000000000, 0.0007829900000000 ] - [ 0.0027769700000000, -0.0001692700000000, 0.0017394300000000 ] - [ 0.0027796400000000, -0.0030273400000000, 0.0017377400000000 ] - [ 0.0028376700000000, 0.0000823400000000, 0.0017460500000000 ] - [ -0.0004093100000000, 0.0052830900000000, -0.0002963300000000 ] - [ 0.0027153400000000, 0.0000835300000000, 0.0017268400000000 ] - [ 0.0059512600000000, 0.0052561900000000, 0.0037623100000000 ] - [ -0.0026855100000000, 0.0000585100000000, -0.0003520000000000 ] - [ -0.0028001200000000, -0.0000353000000000, -0.0017079100000000 ] - [ -0.0027756200000000, 0.0008325500000000, -0.0017376300000000 ] - [ -0.0027786500000000, 0.0000647000000000, -0.0017396700000000 ] - [ -0.0028689300000000, 0.0000674900000000, -0.0031205500000000 ] - [ -0.0027629000000000, -0.0000340500000000, -0.0017678900000000 ] - [ 0.0012879700000000, 0.0000773500000000, 0.0021521400000000 ] - [ 0.0013048700000000, -0.0004532500000000, 0.0021493700000000 ] - [ 0.0015770800000000, 0.0002174500000000, 0.0021809500000000 ] - [ 0.0010397600000000, 0.0002405300000000, 0.0021222500000000 ] - [ 0.0010389200000000, 0.0002211000000000, 0.0021249400000000 ] - [ 0.0015733900000000, 0.0002396200000000, 0.0021794900000000 ] - [ 0.0003215700000000, 0.0004730100000000, -0.0013116000000000 ] - [ -0.0017057100000000, -0.0000820300000000, -0.0021902400000000 ] - [ -0.0013062900000000, 0.0006391000000000, -0.0021485300000000 ] - [ -0.0013091200000000, 0.0001766900000000, -0.0021510300000000 ] - [ -0.0029338600000000, 0.0004819800000000, -0.0029879700000000 ] - [ -0.0009120300000000, -0.0000807800000000, -0.0021158400000000 ]- atom: 49 displacement: [ -0.0032259099543045, 0.0000000000000000, 0.0094653845651785 ] forces: - [ -0.0011383400000000, 0.0000000000000000, -0.0004066700000000 ] - [ 0.0012331800000000, 0.0000000000000000, 0.0002752800000000 ] - [ -0.0000500700000000, -0.0005836300000000, 0.0005518400000000 ] - [ 0.0011493500000000, -0.0000743700000000, 0.0003357800000000 ] - [ -0.0000500700000000, 0.0005836300000000, 0.0005518400000000 ] - [ 0.0011493500000000, 0.0000743700000000, 0.0003357800000000 ] - [ -0.0003630000000000, 0.0002642200000000, -0.0014801600000000 ] - [ -0.0016918800000000, 0.0002756600000000, -0.0003537000000000 ] - [ -0.0010377900000000, 0.0000000000000000, -0.0008494600000000 ] - [ -0.0015291800000000, 0.0000000000000000, -0.0002791900000000 ] - [ -0.0003630000000000, -0.0002642200000000, -0.0014801600000000 ] - [ -0.0016918800000000, -0.0002756600000000, -0.0003537000000000 ] - [ -0.0005745100000000, -0.0011427500000000, -0.0025019700000000 ] - [ -0.0006991700000000, 0.0000216800000000, 0.0006263400000000 ] - [ -0.0006987600000000, 0.0000000000000000, 0.0002113800000000 ] - [ -0.0007123000000000, 0.0000000000000000, 0.0006489800000000 ] - [ -0.0005745100000000, 0.0011427500000000, -0.0025019700000000 ] - [ -0.0006991700000000, -0.0000216800000000, 0.0006263400000000 ] - [ -0.0107190300000000, 0.0000000000000000, 0.0169123400000000 ] - [ 0.0022302200000000, 0.0000000000000000, 0.0012134800000000 ] - [ 0.0016931400000000, -0.0017658600000000, 0.0011879000000000 ] - [ 0.0021873900000000, 0.0000302900000000, 0.0011864000000000 ] - [ 0.0016931400000000, 0.0017658600000000, 0.0011879000000000 ] - [ 0.0021873900000000, -0.0000302900000000, 0.0011864000000000 ] - [ -0.0019847200000000, 0.0001131400000000, -0.0011560500000000 ] - [ 0.0006196200000000, -0.0049341100000000, 0.0065922400000000 ] - [ -0.0020689200000000, 0.0000000000000000, -0.0011724700000000 ] - [ -0.0019282700000000, 0.0000000000000000, -0.0006359900000000 ] - [ -0.0019847200000000, -0.0001131400000000, -0.0011560500000000 ] - [ 0.0006196200000000, 0.0049341100000000, 0.0065922400000000 ] - [ -0.0145520700000000, 0.0000000000000000, 0.0059041600000000 ] - [ 0.0004697300000000, 0.0000000000000000, 0.0019724400000000 ] - [ 0.0001935800000000, 0.0006946400000000, 0.0026625200000000 ] - [ 0.0004536500000000, -0.0000696300000000, 0.0019480900000000 ] - [ 0.0001935800000000, -0.0006946400000000, 0.0026625200000000 ] - [ 0.0004536500000000, 0.0000696300000000, 0.0019480900000000 ] - [ -0.0004270800000000, 0.0005542700000000, -0.0012643600000000 ] - [ 0.0016968300000000, 0.0000224300000000, -0.0018432400000000 ] - [ -0.0002562900000000, 0.0000000000000000, -0.0016617500000000 ] - [ 0.0000600500000000, 0.0000000000000000, -0.0018210500000000 ] - [ -0.0004270800000000, -0.0005542700000000, -0.0012643600000000 ] - [ 0.0016968300000000, -0.0000224300000000, -0.0018432400000000 ] - [ 0.0006368800000000, 0.0000000000000000, -0.0006783400000000 ] - [ 0.0014927500000000, 0.0000000000000000, -0.0022655500000000 ] - [ 0.0005849600000000, 0.0000055900000000, -0.0005963900000000 ] - [ 0.0005009800000000, 0.0005134500000000, -0.0013104800000000 ] - [ 0.0005849600000000, -0.0000055900000000, -0.0005963900000000 ] - [ 0.0005009800000000, -0.0005134500000000, -0.0013104800000000 ] - [ 0.0362306800000000, 0.0000000000000000, -0.0520706100000000 ] - [ 0.0013854000000000, 0.0000000000000000, 0.0006546100000000 ] - [ 0.0017424600000000, -0.0002975700000000, -0.0002875100000000 ] - [ 0.0014183100000000, -0.0000117000000000, 0.0006634500000000 ] - [ 0.0017424600000000, 0.0002975700000000, -0.0002875100000000 ] - [ 0.0014183100000000, 0.0000117000000000, 0.0006634500000000 ] - [ -0.0016807300000000, -0.0000555700000000, -0.0007296000000000 ] - [ -0.0060869400000000, 0.0041495400000000, -0.0006451200000000 ] - [ -0.0015882500000000, 0.0000000000000000, -0.0006835600000000 ] - [ -0.0015229000000000, 0.0000000000000000, -0.0010610000000000 ] - [ -0.0016807300000000, 0.0000555700000000, -0.0007296000000000 ] - [ -0.0060869400000000, -0.0041495400000000, -0.0006451200000000 ] - [ 0.0002361600000000, 0.0000000000000000, 0.0003702700000000 ] - [ -0.0003368300000000, 0.0000000000000000, 0.0009193500000000 ] - [ 0.0002309800000000, -0.0000457400000000, 0.0004248900000000 ] - [ -0.0002470500000000, 0.0001874300000000, 0.0009856800000000 ] - [ 0.0002309800000000, 0.0000457400000000, 0.0004248900000000 ] - [ -0.0002470500000000, -0.0001874300000000, 0.0009856800000000 ] - [ -0.0020299600000000, -0.0016662000000000, 0.0011544000000000 ] - [ -0.0000734900000000, 0.0000218800000000, -0.0006969900000000 ] - [ -0.0001682500000000, 0.0000000000000000, -0.0004185100000000 ] - [ -0.0000889800000000, 0.0000000000000000, -0.0007091500000000 ] - [ -0.0020299600000000, 0.0016662000000000, 0.0011544000000000 ] - [ -0.0000734900000000, -0.0000218800000000, -0.0006969900000000 ] - [ -0.0033189000000000, 0.0000000000000000, 0.0085644600000000 ] - [ -0.0004912500000000, 0.0000000000000000, -0.0002426600000000 ] - [ -0.0009128200000000, 0.0000826800000000, 0.0003962600000000 ] - [ -0.0004596000000000, -0.0000103000000000, -0.0002441700000000 ] - [ -0.0009128200000000, -0.0000826800000000, 0.0003962600000000 ] - [ -0.0004596000000000, 0.0000103000000000, -0.0002441700000000 ] - [ 0.0004613800000000, -0.0000341500000000, 0.0002920500000000 ] - [ 0.0006001800000000, -0.0006283600000000, 0.0027914500000000 ] - [ 0.0004797000000000, 0.0000000000000000, 0.0002660100000000 ] - [ 0.0003093700000000, 0.0000000000000000, 0.0003616400000000 ] - [ 0.0004613800000000, 0.0000341500000000, 0.0002920500000000 ] - [ 0.0006001800000000, 0.0006283600000000, 0.0027914500000000 ] - [ -0.0002539000000000, 0.0000000000000000, 0.0000836000000000 ] - [ -0.0004642000000000, 0.0000000000000000, -0.0005796600000000 ] - [ -0.0003070500000000, 0.0000409100000000, 0.0001643700000000 ] - [ -0.0004906000000000, -0.0000114100000000, -0.0005915900000000 ] - [ -0.0003070500000000, -0.0000409100000000, 0.0001643700000000 ] - [ -0.0004906000000000, 0.0000114100000000, -0.0005915900000000 ] - [ 0.0007779800000000, 0.0000247300000000, 0.0009560400000000 ] - [ 0.0007143700000000, 0.0000493700000000, 0.0008892900000000 ] - [ 0.0007234500000000, 0.0000000000000000, 0.0007890700000000 ] - [ 0.0008737000000000, 0.0000000000000000, 0.0011441900000000 ] - [ 0.0007779800000000, -0.0000247300000000, 0.0009560400000000 ] - [ 0.0007143700000000, -0.0000493700000000, 0.0008892900000000 ] - [ 0.0023997700000000, 0.0000000000000000, 0.0018953300000000 ] - [ 0.0054302300000000, 0.0000000000000000, 0.0025492300000000 ] - [ 0.0027067200000000, -0.0000956300000000, 0.0017462700000000 ] - [ 0.0037891200000000, -0.0013776400000000, 0.0024877200000000 ] - [ 0.0027067200000000, 0.0000956300000000, 0.0017462700000000 ] - [ 0.0037891200000000, 0.0013776400000000, 0.0024877200000000 ] - [ -0.0017476400000000, 0.0028023800000000, 0.0012838000000000 ] - [ -0.0028057300000000, 0.0000007400000000, -0.0016915400000000 ] - [ -0.0024568200000000, 0.0000000000000000, -0.0015178200000000 ] - [ -0.0027719500000000, 0.0000000000000000, -0.0017033800000000 ] - [ -0.0017476400000000, -0.0028023800000000, 0.0012838000000000 ] - [ -0.0028057300000000, -0.0000007400000000, -0.0016915400000000 ] - [ -0.0022335000000000, 0.0000000000000000, 0.0020113300000000 ] - [ 0.0010629600000000, 0.0000000000000000, 0.0016256100000000 ] - [ 0.0012533400000000, -0.0001820800000000, 0.0020445100000000 ] - [ 0.0011229400000000, 0.0001525500000000, 0.0017504600000000 ] - [ 0.0012533400000000, 0.0001820800000000, 0.0020445100000000 ] - [ 0.0011229400000000, -0.0001525500000000, 0.0017504600000000 ] - [ -0.0006551500000000, -0.0000714800000000, -0.0031196700000000 ] - [ -0.0017280600000000, 0.0000594300000000, -0.0021335200000000 ] - [ -0.0012752900000000, 0.0000000000000000, -0.0024810300000000 ] - [ -0.0014063300000000, 0.0000000000000000, -0.0020863300000000 ] - [ -0.0006551500000000, 0.0000714800000000, -0.0031196700000000 ] - [ -0.0017280600000000, -0.0000594300000000, -0.0021335200000000 ]- atom: 49 displacement: [ 0.0032259099543045, 0.0000000000000000, -0.0094653845651785 ] forces: - [ 0.0031720000000000, 0.0000000000000000, 0.0016398300000000 ] - [ 0.0008216500000000, 0.0000000000000000, 0.0009538500000000 ] - [ 0.0020917800000000, 0.0005770000000000, 0.0006842900000000 ] - [ 0.0009014300000000, 0.0000734100000000, 0.0008956900000000 ] - [ 0.0020917800000000, -0.0005770000000000, 0.0006842900000000 ] - [ 0.0009014300000000, -0.0000734100000000, 0.0008956900000000 ] - [ -0.0016920300000000, -0.0002655100000000, 0.0002409100000000 ] - [ -0.0003695600000000, -0.0002751800000000, -0.0008758100000000 ] - [ -0.0010166000000000, 0.0000000000000000, -0.0003864100000000 ] - [ -0.0005349500000000, 0.0000000000000000, -0.0009537000000000 ] - [ -0.0016920300000000, 0.0002655100000000, 0.0002409100000000 ] - [ -0.0003695600000000, 0.0002751800000000, -0.0008758100000000 ] - [ -0.0007860900000000, 0.0011293200000000, 0.0036449000000000 ] - [ -0.0006547700000000, -0.0000204600000000, 0.0005371200000000 ] - [ -0.0006570200000000, 0.0000000000000000, 0.0009420900000000 ] - [ -0.0006425200000000, 0.0000000000000000, 0.0005147300000000 ] - [ -0.0007860900000000, -0.0011293200000000, 0.0036449000000000 ] - [ -0.0006547700000000, 0.0000204600000000, 0.0005371200000000 ] - [ 0.0141686700000000, 0.0000000000000000, -0.0134019400000000 ] - [ 0.0020171300000000, 0.0000000000000000, 0.0011201600000000 ] - [ 0.0025544200000000, 0.0017561000000000, 0.0011575700000000 ] - [ 0.0020630700000000, -0.0000330700000000, 0.0011440600000000 ] - [ 0.0025544200000000, -0.0017561000000000, 0.0011575700000000 ] - [ 0.0020630700000000, 0.0000330700000000, 0.0011440600000000 ] - [ -0.0022669300000000, -0.0001143700000000, -0.0011763300000000 ] - [ -0.0049381900000000, 0.0049715400000000, -0.0088439900000000 ] - [ -0.0021811700000000, 0.0000000000000000, -0.0011588600000000 ] - [ -0.0023159500000000, 0.0000000000000000, -0.0016936900000000 ] - [ -0.0022669300000000, 0.0001143700000000, -0.0011763300000000 ] - [ -0.0049381900000000, -0.0049715400000000, -0.0088439900000000 ] - [ 0.0154132900000000, 0.0000000000000000, -0.0020833100000000 ] - [ 0.0000822100000000, 0.0000000000000000, 0.0017324900000000 ] - [ 0.0003659000000000, -0.0006941500000000, 0.0010341400000000 ] - [ 0.0000970200000000, 0.0000673300000000, 0.0017536600000000 ] - [ 0.0003659000000000, 0.0006941500000000, 0.0010341400000000 ] - [ 0.0000970200000000, -0.0000673300000000, 0.0017536600000000 ] - [ -0.0001188900000000, -0.0005545800000000, -0.0024339600000000 ] - [ -0.0022388300000000, -0.0000259000000000, -0.0018526000000000 ] - [ -0.0002942900000000, 0.0000000000000000, -0.0020426000000000 ] - [ -0.0006067700000000, 0.0000000000000000, -0.0018792600000000 ] - [ -0.0001188900000000, 0.0005545800000000, -0.0024339600000000 ] - [ -0.0022388300000000, 0.0000259000000000, -0.0018526000000000 ] - [ 0.0007173900000000, 0.0000000000000000, -0.0004861400000000 ] - [ -0.0001147200000000, 0.0000000000000000, 0.0010936300000000 ] - [ 0.0007662500000000, -0.0000065600000000, -0.0005667600000000 ] - [ 0.0008643600000000, -0.0005140800000000, 0.0001471200000000 ] - [ 0.0007662500000000, 0.0000065600000000, -0.0005667600000000 ] - [ 0.0008643600000000, 0.0005140800000000, 0.0001471200000000 ] - [ -0.0324568200000000, 0.0000000000000000, 0.0518077800000000 ] - [ 0.0016922300000000, 0.0000000000000000, 0.0006986100000000 ] - [ 0.0013332100000000, 0.0002797500000000, 0.0016371100000000 ] - [ 0.0016592100000000, 0.0000099800000000, 0.0006947400000000 ] - [ 0.0013332100000000, -0.0002797500000000, 0.0016371100000000 ] - [ 0.0016592100000000, -0.0000099800000000, 0.0006947400000000 ] - [ -0.0013986800000000, 0.0000557800000000, -0.0006243800000000 ] - [ 0.0029708100000000, -0.0041159400000000, -0.0007270400000000 ] - [ -0.0014895200000000, 0.0000000000000000, -0.0006669000000000 ] - [ -0.0015509800000000, 0.0000000000000000, -0.0003031400000000 ] - [ -0.0013986800000000, -0.0000557800000000, -0.0006243800000000 ] - [ 0.0029708100000000, 0.0041159400000000, -0.0007270400000000 ] - [ -0.0000494000000000, 0.0000000000000000, 0.0007612400000000 ] - [ 0.0005149500000000, 0.0000000000000000, 0.0002047600000000 ] - [ -0.0000506500000000, 0.0000427700000000, 0.0007060800000000 ] - [ 0.0004322100000000, -0.0001943600000000, 0.0001446700000000 ] - [ -0.0000506500000000, -0.0000427700000000, 0.0007060800000000 ] - [ 0.0004322100000000, 0.0001943600000000, 0.0001446700000000 ] - [ 0.0018523200000000, 0.0016687700000000, -0.0022767900000000 ] - [ -0.0001085400000000, -0.0000156300000000, -0.0004346200000000 ] - [ -0.0000187800000000, 0.0000000000000000, -0.0007035400000000 ] - [ -0.0000916500000000, 0.0000000000000000, -0.0004245700000000 ] - [ 0.0018523200000000, -0.0016687700000000, -0.0022767900000000 ] - [ -0.0001085400000000, 0.0000156300000000, -0.0004346200000000 ] - [ 0.0023122400000000, 0.0000000000000000, -0.0089646800000000 ] - [ -0.0004831400000000, 0.0000000000000000, -0.0002630500000000 ] - [ -0.0000641600000000, -0.0000794000000000, -0.0008990400000000 ] - [ -0.0005097600000000, 0.0000087400000000, -0.0002625800000000 ] - [ -0.0000641600000000, 0.0000794000000000, -0.0008990400000000 ] - [ -0.0005097600000000, -0.0000087400000000, -0.0002625800000000 ] - [ 0.0005095400000000, 0.0000327500000000, 0.0002148400000000 ] - [ 0.0003587100000000, 0.0006422300000000, -0.0022837500000000 ] - [ 0.0004952600000000, 0.0000000000000000, 0.0002378100000000 ] - [ 0.0006616100000000, 0.0000000000000000, 0.0001438500000000 ] - [ 0.0005095400000000, -0.0000327500000000, 0.0002148400000000 ] - [ 0.0003587100000000, -0.0006422300000000, -0.0022837500000000 ] - [ -0.0008928300000000, 0.0000000000000000, -0.0014164200000000 ] - [ -0.0006837700000000, 0.0000000000000000, -0.0007566400000000 ] - [ -0.0008379300000000, -0.0000383400000000, -0.0014924100000000 ] - [ -0.0006585500000000, 0.0000144200000000, -0.0007395700000000 ] - [ -0.0008379300000000, 0.0000383400000000, -0.0014924100000000 ] - [ -0.0006585500000000, -0.0000144200000000, -0.0007395700000000 ] - [ 0.0003742200000000, -0.0000248200000000, 0.0003816800000000 ] - [ 0.0004371700000000, -0.0000504500000000, 0.0004456500000000 ] - [ 0.0004319300000000, 0.0000000000000000, 0.0005461000000000 ] - [ 0.0002719600000000, 0.0000000000000000, 0.0001923100000000 ] - [ 0.0003742200000000, 0.0000248200000000, 0.0003816800000000 ] - [ 0.0004371700000000, 0.0000504500000000, 0.0004456500000000 ] - [ 0.0030711300000000, 0.0000000000000000, 0.0015357900000000 ] - [ 0.0000651000000000, 0.0000000000000000, 0.0009055200000000 ] - [ 0.0027632000000000, 0.0000955900000000, 0.0016767500000000 ] - [ 0.0017084700000000, 0.0013510800000000, 0.0009472300000000 ] - [ 0.0027632000000000, -0.0000955900000000, 0.0016767500000000 ] - [ 0.0017084700000000, -0.0013510800000000, 0.0009472300000000 ] - [ -0.0037166000000000, -0.0027696800000000, -0.0046776500000000 ] - [ -0.0026659600000000, -0.0000025100000000, -0.0017328100000000 ] - [ -0.0030126600000000, 0.0000000000000000, -0.0019100000000000 ] - [ -0.0026974400000000, 0.0000000000000000, -0.0017239900000000 ] - [ -0.0037166000000000, 0.0027696800000000, -0.0046776500000000 ] - [ -0.0026659600000000, 0.0000025100000000, -0.0017328100000000 ] - [ 0.0048390600000000, 0.0000000000000000, 0.0022219500000000 ] - [ 0.0015534200000000, 0.0000000000000000, 0.0026105900000000 ] - [ 0.0013575200000000, 0.0001810000000000, 0.0021952300000000 ] - [ 0.0014909800000000, -0.0001556600000000, 0.0024849200000000 ] - [ 0.0013575200000000, -0.0001810000000000, 0.0021952300000000 ] - [ 0.0014909800000000, 0.0001556600000000, 0.0024849200000000 ] - [ -0.0019697000000000, 0.0000655500000000, -0.0011281000000000 ] - [ -0.0008838900000000, -0.0000614200000000, -0.0021049600000000 ] - [ -0.0013423100000000, 0.0000000000000000, -0.0017614300000000 ] - [ -0.0012120700000000, 0.0000000000000000, -0.0021533000000000 ] - [ -0.0019697000000000, -0.0000655500000000, -0.0011281000000000 ] - [ -0.0008838900000000, 0.0000614200000000, -0.0021049600000000 ]- atom: 61 displacement: [ 0.0099999760773639, 0.0000000000000000, -0.0000218735491084 ] forces: - [ 0.0159603500000000, 0.0000000000000000, -0.0001779900000000 ] - [ 0.0003458600000000, 0.0000000000000000, 0.0006630400000000 ] - [ 0.0015495700000000, 0.0011820000000000, 0.0006053200000000 ] - [ 0.0004873300000000, -0.0001237500000000, 0.0005365100000000 ] - [ 0.0015495700000000, -0.0011820000000000, 0.0006053200000000 ] - [ 0.0004873300000000, 0.0001237500000000, 0.0005365100000000 ] - [ -0.0006191700000000, 0.0000655000000000, 0.0008071100000000 ] - [ -0.0016491600000000, -0.0001993800000000, -0.0010177000000000 ] - [ -0.0004506000000000, 0.0000000000000000, -0.0000282000000000 ] - [ -0.0015096600000000, 0.0000000000000000, -0.0008773700000000 ] - [ -0.0006191700000000, -0.0000655000000000, 0.0008071100000000 ] - [ -0.0016491600000000, 0.0001993800000000, -0.0010177000000000 ] - [ -0.0012993100000000, 0.0002610700000000, 0.0008275800000000 ] - [ -0.0012632800000000, -0.0015157500000000, -0.0002301600000000 ] - [ -0.0009020600000000, 0.0000000000000000, 0.0005125800000000 ] - [ -0.0007374500000000, 0.0000000000000000, 0.0003017700000000 ] - [ -0.0012993100000000, -0.0002610700000000, 0.0008275800000000 ] - [ -0.0012632800000000, 0.0015157500000000, -0.0002301600000000 ] - [ 0.0014012000000000, 0.0000000000000000, 0.0007050500000000 ] - [ -0.0007811000000000, 0.0000000000000000, 0.0016190900000000 ] - [ 0.0015540600000000, 0.0003694800000000, 0.0008201300000000 ] - [ 0.0017255400000000, -0.0009495100000000, 0.0007873200000000 ] - [ 0.0015540600000000, -0.0003694800000000, 0.0008201300000000 ] - [ 0.0017255400000000, 0.0009495100000000, 0.0007873200000000 ] - [ -0.0022082600000000, -0.0000663800000000, -0.0000014200000000 ] - [ -0.0025511800000000, -0.0000382600000000, -0.0015098800000000 ] - [ -0.0017005600000000, 0.0000000000000000, -0.0006633800000000 ] - [ -0.0025218800000000, 0.0000000000000000, -0.0015056800000000 ] - [ -0.0022082600000000, 0.0000663800000000, -0.0000014200000000 ] - [ -0.0025511800000000, 0.0000382600000000, -0.0015098800000000 ] - [ 0.0008610200000000, 0.0000000000000000, 0.0010025600000000 ] - [ -0.0001084500000000, 0.0000000000000000, 0.0016509400000000 ] - [ 0.0004785800000000, 0.0010772600000000, 0.0010858900000000 ] - [ -0.0000632200000000, -0.0001047600000000, 0.0017123700000000 ] - [ 0.0004785800000000, -0.0010772600000000, 0.0010858900000000 ] - [ -0.0000632200000000, 0.0001047600000000, 0.0017123700000000 ] - [ 0.0030885200000000, -0.0004806200000000, -0.0019299000000000 ] - [ -0.0008283300000000, -0.0000232500000000, -0.0019538800000000 ] - [ 0.0003523800000000, 0.0000000000000000, -0.0015889200000000 ] - [ -0.0007995600000000, 0.0000000000000000, -0.0019389600000000 ] - [ 0.0030885200000000, 0.0004806200000000, -0.0019299000000000 ] - [ -0.0008283300000000, 0.0000232500000000, -0.0019538800000000 ] - [ 0.0053454900000000, 0.0000000000000000, 0.0042801600000000 ] - [ 0.0000816500000000, 0.0000000000000000, -0.0007157800000000 ] - [ 0.0022076600000000, 0.0001230000000000, -0.0006491600000000 ] - [ 0.0001244000000000, -0.0000220700000000, -0.0007477800000000 ] - [ 0.0022076600000000, -0.0001230000000000, -0.0006491600000000 ] - [ 0.0001244000000000, 0.0000220700000000, -0.0007477800000000 ] - [ 0.0017961500000000, 0.0000000000000000, 0.0009156800000000 ] - [ 0.0018109700000000, 0.0000000000000000, 0.0003175800000000 ] - [ 0.0019372300000000, -0.0001480600000000, 0.0009629200000000 ] - [ 0.0017992000000000, 0.0002646100000000, 0.0004060800000000 ] - [ 0.0019372300000000, 0.0001480600000000, 0.0009629200000000 ] - [ 0.0017992000000000, -0.0002646100000000, 0.0004060800000000 ] - [ 0.0001086400000000, 0.0017999600000000, -0.0021788400000000 ] - [ -0.0010247500000000, -0.0000275400000000, -0.0004861400000000 ] - [ -0.0018635100000000, 0.0000000000000000, -0.0008633100000000 ] - [ -0.0010299700000000, 0.0000000000000000, -0.0005055900000000 ] - [ 0.0001086400000000, -0.0017999600000000, -0.0021788400000000 ] - [ -0.0010247500000000, 0.0000275400000000, -0.0004861400000000 ] - [ -0.0385233900000000, 0.0000000000000000, -0.0008484400000000 ] - [ 0.0003603400000000, 0.0000000000000000, 0.0006565500000000 ] - [ -0.0008219800000000, 0.0008540200000000, 0.0006131900000000 ] - [ 0.0003478600000000, 0.0000069900000000, 0.0006524400000000 ] - [ -0.0008219800000000, -0.0008540200000000, 0.0006131900000000 ] - [ 0.0003478600000000, -0.0000069900000000, 0.0006524400000000 ] - [ -0.0001477700000000, -0.0000930800000000, -0.0005346100000000 ] - [ 0.0000259100000000, 0.0000539900000000, -0.0002180000000000 ] - [ -0.0000829100000000, 0.0000000000000000, -0.0001491100000000 ] - [ -0.0000208500000000, 0.0000000000000000, -0.0004996100000000 ] - [ -0.0001477700000000, 0.0000930800000000, -0.0005346100000000 ] - [ 0.0000259100000000, -0.0000539900000000, -0.0002180000000000 ] - [ -0.0000844700000000, 0.0000000000000000, -0.0003047900000000 ] - [ 0.0078723600000000, 0.0000000000000000, 0.0053113000000000 ] - [ -0.0001190900000000, -0.0001121300000000, -0.0003272400000000 ] - [ -0.0007259800000000, 0.0003080800000000, -0.0001751200000000 ] - [ -0.0001190900000000, 0.0001121300000000, -0.0003272400000000 ] - [ -0.0007259800000000, -0.0003080800000000, -0.0001751200000000 ] - [ 0.0001030400000000, 0.0002706800000000, 0.0001583900000000 ] - [ 0.0008107300000000, -0.0000055000000000, 0.0002931400000000 ] - [ 0.0000940700000000, 0.0000000000000000, 0.0001741200000000 ] - [ 0.0007637100000000, 0.0000000000000000, 0.0002956100000000 ] - [ 0.0001030400000000, -0.0002706800000000, 0.0001583900000000 ] - [ 0.0008107300000000, 0.0000055000000000, 0.0002931400000000 ] - [ -0.0000550100000000, 0.0000000000000000, -0.0029806400000000 ] - [ 0.0004167300000000, 0.0000000000000000, -0.0001740500000000 ] - [ -0.0006418400000000, -0.0002403900000000, -0.0007976000000000 ] - [ -0.0001675500000000, 0.0001776100000000, -0.0004930200000000 ] - [ -0.0006418400000000, 0.0002403900000000, -0.0007976000000000 ] - [ -0.0001675500000000, -0.0001776100000000, -0.0004930200000000 ] - [ 0.0006360400000000, -0.0035086000000000, -0.0034940000000000 ] - [ 0.0009566300000000, 0.0000544000000000, 0.0008189500000000 ] - [ 0.0000556200000000, 0.0000000000000000, 0.0004363900000000 ] - [ 0.0009248600000000, 0.0000000000000000, 0.0008235500000000 ] - [ 0.0006360400000000, 0.0035086000000000, -0.0034940000000000 ] - [ 0.0009566300000000, -0.0000544000000000, 0.0008189500000000 ] - [ 0.0015233200000000, 0.0000000000000000, 0.0019041800000000 ] - [ 0.0031810900000000, 0.0000000000000000, 0.0019100200000000 ] - [ 0.0021589000000000, -0.0000740500000000, 0.0011704200000000 ] - [ 0.0031746100000000, 0.0000232300000000, 0.0019093100000000 ] - [ 0.0021589000000000, 0.0000740500000000, 0.0011704200000000 ] - [ 0.0031746100000000, -0.0000232300000000, 0.0019093100000000 ] - [ -0.0015260300000000, -0.0013165800000000, -0.0013473000000000 ] - [ -0.0022166400000000, 0.0002671600000000, -0.0016223200000000 ] - [ -0.0025965000000000, 0.0000000000000000, -0.0016759500000000 ] - [ -0.0024741300000000, 0.0000000000000000, -0.0015941400000000 ] - [ -0.0015260300000000, 0.0013165800000000, -0.0013473000000000 ] - [ -0.0022166400000000, -0.0002671600000000, -0.0016223200000000 ] - [ 0.0001070200000000, 0.0000000000000000, 0.0012598200000000 ] - [ 0.0015705200000000, 0.0000000000000000, 0.0022987200000000 ] - [ 0.0010069100000000, 0.0004720200000000, 0.0013568400000000 ] - [ 0.0015428500000000, 0.0000350900000000, 0.0022568000000000 ] - [ 0.0010069100000000, -0.0004720200000000, 0.0013568400000000 ] - [ 0.0015428500000000, -0.0000350900000000, 0.0022568000000000 ] - [ 0.0002341700000000, -0.0036217500000000, 0.0011688500000000 ] - [ -0.0010662900000000, 0.0000339900000000, -0.0020584500000000 ] - [ -0.0017292800000000, 0.0000000000000000, -0.0022562900000000 ] - [ -0.0010905000000000, 0.0000000000000000, -0.0020446600000000 ] - [ 0.0002341700000000, 0.0036217500000000, 0.0011688500000000 ] - [ -0.0010662900000000, -0.0000339900000000, -0.0020584500000000 ]- atom: 61 displacement: [ -0.0099999760773639, 0.0000000000000000, 0.0000218735491084 ] forces: - [ -0.0148083800000000, 0.0000000000000000, 0.0015514500000000 ] - [ 0.0017071800000000, 0.0000000000000000, 0.0005467000000000 ] - [ 0.0004855600000000, -0.0011866300000000, 0.0005942100000000 ] - [ 0.0015646700000000, 0.0001241200000000, 0.0006742200000000 ] - [ 0.0004855600000000, 0.0011866300000000, 0.0005942100000000 ] - [ 0.0015646700000000, -0.0001241200000000, 0.0006742200000000 ] - [ -0.0014363100000000, -0.0000678500000000, -0.0020282100000000 ] - [ -0.0003969500000000, 0.0001983900000000, -0.0001912500000000 ] - [ -0.0016031000000000, 0.0000000000000000, -0.0011861000000000 ] - [ -0.0005381600000000, 0.0000000000000000, -0.0003313600000000 ] - [ -0.0014363100000000, 0.0000678500000000, -0.0020282100000000 ] - [ -0.0003969500000000, -0.0001983900000000, -0.0001912500000000 ] - [ -0.0000721900000000, -0.0002688600000000, 0.0003316500000000 ] - [ -0.0000826900000000, 0.0015228100000000, 0.0014092500000000 ] - [ -0.0004771500000000, 0.0000000000000000, 0.0006498600000000 ] - [ -0.0006163100000000, 0.0000000000000000, 0.0008745100000000 ] - [ -0.0000721900000000, 0.0002688600000000, 0.0003316500000000 ] - [ -0.0000826900000000, -0.0015228100000000, 0.0014092500000000 ] - [ 0.0028445500000000, 0.0000000000000000, 0.0016153300000000 ] - [ 0.0050078700000000, 0.0000000000000000, 0.0006937300000000 ] - [ 0.0026892400000000, -0.0003763700000000, 0.0015060800000000 ] - [ 0.0025131400000000, 0.0009440500000000, 0.0015338900000000 ] - [ 0.0026892400000000, 0.0003763700000000, 0.0015060800000000 ] - [ 0.0025131400000000, -0.0009440500000000, 0.0015338900000000 ] - [ -0.0020257900000000, 0.0000675000000000, -0.0023158600000000 ] - [ -0.0016881200000000, 0.0000341900000000, -0.0008090300000000 ] - [ -0.0025332300000000, 0.0000000000000000, -0.0016549200000000 ] - [ -0.0017118300000000, 0.0000000000000000, -0.0008083300000000 ] - [ -0.0020257900000000, -0.0000675000000000, -0.0023158600000000 ] - [ -0.0016881200000000, -0.0000341900000000, -0.0008090300000000 ] - [ -0.0003474700000000, 0.0000000000000000, 0.0027006200000000 ] - [ 0.0006440700000000, 0.0000000000000000, 0.0020511500000000 ] - [ 0.0000392000000000, -0.0010857100000000, 0.0026190000000000 ] - [ 0.0005946100000000, 0.0001001700000000, 0.0019860400000000 ] - [ 0.0000392000000000, 0.0010857100000000, 0.0026190000000000 ] - [ 0.0005946100000000, -0.0001001700000000, 0.0019860400000000 ] - [ -0.0036545300000000, 0.0003448300000000, -0.0016348700000000 ] - [ 0.0003034800000000, 0.0000254200000000, -0.0017420700000000 ] - [ -0.0008805400000000, 0.0000000000000000, -0.0021058600000000 ] - [ 0.0002825200000000, 0.0000000000000000, -0.0017587400000000 ] - [ -0.0036545300000000, -0.0003448300000000, -0.0016348700000000 ] - [ 0.0003034800000000, -0.0000254200000000, -0.0017420700000000 ] - [ -0.0040499800000000, 0.0000000000000000, -0.0055035500000000 ] - [ 0.0012959100000000, 0.0000000000000000, -0.0004426600000000 ] - [ -0.0008527200000000, -0.0001235800000000, -0.0005230900000000 ] - [ 0.0012575700000000, 0.0000203800000000, -0.0004203500000000 ] - [ -0.0008527200000000, 0.0001235800000000, -0.0005230900000000 ] - [ 0.0012575700000000, -0.0000203800000000, -0.0004203500000000 ] - [ 0.0012679100000000, 0.0000000000000000, 0.0004311900000000 ] - [ 0.0012497100000000, 0.0000000000000000, 0.0010242000000000 ] - [ 0.0011212700000000, 0.0001477600000000, 0.0003865400000000 ] - [ 0.0012616500000000, -0.0002671600000000, 0.0009423300000000 ] - [ 0.0011212700000000, -0.0001477600000000, 0.0003865400000000 ] - [ 0.0012616500000000, 0.0002671600000000, 0.0009423300000000 ] - [ -0.0031652700000000, -0.0017827500000000, 0.0008161100000000 ] - [ -0.0020386100000000, 0.0000272400000000, -0.0008701100000000 ] - [ -0.0012042200000000, 0.0000000000000000, -0.0004793300000000 ] - [ -0.0020329400000000, 0.0000000000000000, -0.0008502600000000 ] - [ -0.0031652700000000, 0.0017827500000000, 0.0008161100000000 ] - [ -0.0020386100000000, -0.0000272400000000, -0.0008701100000000 ] - [ 0.0396794500000000, 0.0000000000000000, 0.0015155700000000 ] - [ -0.0001631000000000, 0.0000000000000000, 0.0004748900000000 ] - [ 0.0010171200000000, -0.0008675300000000, 0.0005131900000000 ] - [ -0.0001464100000000, -0.0000121900000000, 0.0004796600000000 ] - [ 0.0010171200000000, 0.0008675300000000, 0.0005131900000000 ] - [ -0.0001464100000000, 0.0000121900000000, 0.0004796600000000 ] - [ -0.0000469700000000, 0.0000942600000000, -0.0005936500000000 ] - [ -0.0002255000000000, -0.0000491000000000, -0.0009154400000000 ] - [ -0.0001114600000000, 0.0000000000000000, -0.0009812300000000 ] - [ -0.0001749400000000, 0.0000000000000000, -0.0006369700000000 ] - [ -0.0000469700000000, -0.0000942600000000, -0.0005936500000000 ] - [ -0.0002255000000000, 0.0000491000000000, -0.0009154400000000 ] - [ -0.0009072300000000, 0.0000000000000000, -0.0001949700000000 ] - [ -0.0087486700000000, 0.0000000000000000, -0.0057378100000000 ] - [ -0.0008698600000000, 0.0001120800000000, -0.0001791900000000 ] - [ -0.0002534700000000, -0.0003121400000000, -0.0003332100000000 ] - [ -0.0008698600000000, -0.0001120800000000, -0.0001791900000000 ] - [ -0.0002534700000000, 0.0003121400000000, -0.0003332100000000 ] - [ 0.0008717100000000, -0.0002846000000000, 0.0003460200000000 ] - [ 0.0001700500000000, 0.0000015000000000, 0.0002114300000000 ] - [ 0.0008871600000000, 0.0000000000000000, 0.0003318100000000 ] - [ 0.0002210300000000, 0.0000000000000000, 0.0002065800000000 ] - [ 0.0008717100000000, 0.0002846000000000, 0.0003460200000000 ] - [ 0.0001700500000000, -0.0000015000000000, 0.0002114300000000 ] - [ -0.0011335400000000, 0.0000000000000000, 0.0016991400000000 ] - [ -0.0016027200000000, 0.0000000000000000, -0.0011399000000000 ] - [ -0.0005327100000000, 0.0002409700000000, -0.0005075800000000 ] - [ -0.0010202500000000, -0.0001765000000000, -0.0008198900000000 ] - [ -0.0005327100000000, -0.0002409700000000, -0.0005075800000000 ] - [ -0.0010202500000000, 0.0001765000000000, -0.0008198900000000 ] - [ 0.0005727100000000, 0.0035280500000000, 0.0048293500000000 ] - [ 0.0002297400000000, -0.0000525400000000, 0.0004898200000000 ] - [ 0.0011340900000000, 0.0000000000000000, 0.0008764100000000 ] - [ 0.0002516700000000, 0.0000000000000000, 0.0004844600000000 ] - [ 0.0005727100000000, -0.0035280500000000, 0.0048293500000000 ] - [ 0.0002297400000000, 0.0000525400000000, 0.0004898200000000 ] - [ 0.0039629800000000, 0.0000000000000000, 0.0015499700000000 ] - [ 0.0023001000000000, 0.0000000000000000, 0.0015489400000000 ] - [ 0.0033204300000000, 0.0000744900000000, 0.0022773400000000 ] - [ 0.0023045300000000, -0.0000269900000000, 0.0015423200000000 ] - [ 0.0033204300000000, -0.0000744900000000, 0.0022773400000000 ] - [ 0.0023045300000000, 0.0000269900000000, 0.0015423200000000 ] - [ -0.0039721600000000, 0.0013392600000000, -0.0021106100000000 ] - [ -0.0032703800000000, -0.0002713300000000, -0.0018297800000000 ] - [ -0.0028804000000000, 0.0000000000000000, -0.0017818200000000 ] - [ -0.0030083200000000, 0.0000000000000000, -0.0018622800000000 ] - [ -0.0039721600000000, -0.0013392600000000, -0.0021106100000000 ] - [ -0.0032703800000000, 0.0002713300000000, -0.0018297800000000 ] - [ 0.0025283200000000, 0.0000000000000000, 0.0030198300000000 ] - [ 0.0010555400000000, 0.0000000000000000, 0.0019439400000000 ] - [ 0.0016253500000000, -0.0004975300000000, 0.0029198500000000 ] - [ 0.0010829300000000, -0.0000377400000000, 0.0019884200000000 ] - [ 0.0016253500000000, 0.0004975300000000, 0.0029198500000000 ] - [ 0.0010829300000000, 0.0000377400000000, 0.0019884200000000 ] - [ -0.0028871600000000, 0.0036686800000000, -0.0054547400000000 ] - [ -0.0015611600000000, -0.0000366300000000, -0.0021897600000000 ] - [ -0.0008968200000000, 0.0000000000000000, -0.0019875000000000 ] - [ -0.0015410200000000, 0.0000000000000000, -0.0022028200000000 ] - [ -0.0028871600000000, -0.0036686800000000, -0.0054547400000000 ] - [ -0.0015611600000000, 0.0000366300000000, -0.0021897600000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010175100000000, 0.0065464400000000, 0.0005829500000000 ] - [ 0.0010090900000000, 0.0001308700000000, 0.0005883900000000 ] - [ 0.0023774700000000, -0.0013767100000000, 0.0002292100000000 ] - [ 0.0009659800000000, -0.0000652200000000, 0.0005786800000000 ] - [ -0.0003511800000000, -0.0013984600000000, 0.0009389200000000 ] - [ 0.0010511500000000, -0.0000677900000000, 0.0005992100000000 ] - [ -0.0005481700000000, 0.0010729100000000, -0.0006532700000000 ] - [ -0.0010190500000000, 0.0000335100000000, -0.0005865900000000 ] - [ -0.0010122200000000, -0.0017773300000000, -0.0005819500000000 ] - [ -0.0010108500000000, -0.0000617300000000, -0.0005886600000000 ] - [ -0.0014857400000000, 0.0010725000000000, -0.0004902100000000 ] - [ -0.0010012300000000, 0.0000312500000000, -0.0005918500000000 ] - [ -0.0005435400000000, 0.0001781400000000, 0.0006413100000000 ] - [ -0.0009481800000000, 0.0001537400000000, 0.0004329900000000 ] - [ -0.0006988100000000, -0.0003100200000000, 0.0005666700000000 ] - [ -0.0006989100000000, -0.0004310900000000, 0.0005668300000000 ] - [ -0.0008570900000000, 0.0001751100000000, 0.0004947800000000 ] - [ -0.0004426500000000, 0.0001395100000000, 0.0007056100000000 ] - [ 0.0021118800000000, 0.0004015200000000, 0.0011525800000000 ] - [ 0.0021111100000000, 0.0019455100000000, 0.0011409100000000 ] - [ 0.0023310700000000, -0.0001869000000000, 0.0010259900000000 ] - [ 0.0013476300000000, -0.0010348000000000, 0.0007850400000000 ] - [ 0.0018943900000000, -0.0001897800000000, 0.0012789900000000 ] - [ 0.0028725000000000, -0.0010316500000000, 0.0015138300000000 ] - [ -0.0026987100000000, 0.0003914900000000, -0.0003885000000000 ] - [ -0.0019777700000000, 0.0002182900000000, -0.0010610800000000 ] - [ -0.0021142300000000, -0.0007207000000000, -0.0011502500000000 ] - [ -0.0021128600000000, -0.0004285900000000, -0.0011541300000000 ] - [ -0.0015353300000000, 0.0003884900000000, -0.0019008700000000 ] - [ -0.0022476500000000, 0.0002172900000000, -0.0012458100000000 ] - [ 0.0002806700000000, 0.0025806100000000, 0.0018497100000000 ] - [ 0.0002744400000000, 0.0000677100000000, 0.0018530500000000 ] - [ 0.0016417500000000, -0.0016339400000000, 0.0030508000000000 ] - [ 0.0001276500000000, -0.0000326900000000, 0.0018554900000000 ] - [ -0.0010794500000000, -0.0016334400000000, 0.0006504000000000 ] - [ 0.0004180800000000, -0.0000314900000000, 0.0018506800000000 ] - [ 0.0012947500000000, 0.0236763700000000, -0.0218544800000000 ] - [ -0.0002555700000000, 0.0000166600000000, -0.0018566500000000 ] - [ -0.0002774200000000, -0.0056287800000000, -0.0018508100000000 ] - [ -0.0002759500000000, -0.0000446000000000, -0.0018516800000000 ] - [ -0.0017373600000000, 0.0229492200000000, 0.0171760400000000 ] - [ -0.0002942300000000, 0.0000190800000000, -0.0018448500000000 ] - [ 0.0006964000000000, 0.0026983900000000, -0.0005947400000000 ] - [ 0.0006970000000000, 0.0000721500000000, -0.0005660400000000 ] - [ 0.0000443600000000, -0.0011544000000000, -0.0021015700000000 ] - [ 0.0007301100000000, -0.0000380200000000, -0.0005622100000000 ] - [ 0.0013627700000000, -0.0011693500000000, 0.0009529300000000 ] - [ 0.0006664100000000, -0.0000383800000000, -0.0005674700000000 ] - [ 0.0015300400000000, -0.0002575400000000, 0.0006808900000000 ] - [ 0.0015324800000000, -0.0004961500000000, 0.0006791700000000 ] - [ 0.0008655200000000, 0.0002646500000000, 0.0005010200000000 ] - [ 0.0017816000000000, 0.0002634800000000, 0.0005605100000000 ] - [ 0.0021943300000000, 0.0002651800000000, 0.0008606000000000 ] - [ 0.0012848700000000, 0.0002639100000000, 0.0007977000000000 ] - [ 0.0016036200000000, 0.0000308800000000, -0.0013764200000000 ] - [ -0.0015878500000000, -0.0000607600000000, -0.0006799500000000 ] - [ -0.0015272000000000, 0.0006490200000000, -0.0006800600000000 ] - [ -0.0015310800000000, 0.0001223900000000, -0.0006800700000000 ] - [ -0.0046468900000000, 0.0000309200000000, 0.0000173200000000 ] - [ -0.0014766000000000, -0.0000603000000000, -0.0006803000000000 ] - [ 0.0000509600000000, -0.0721639000000000, 0.0016023000000000 ] - [ 0.0001027900000000, -0.0000222700000000, 0.0005525400000000 ] - [ -0.0007634100000000, 0.0049571400000000, 0.0013482900000000 ] - [ 0.0000917800000000, 0.0000144300000000, 0.0005408900000000 ] - [ 0.0009550200000000, 0.0049134000000000, -0.0002234300000000 ] - [ 0.0001135000000000, 0.0000161400000000, 0.0005653200000000 ] - [ -0.0001968400000000, -0.0004030700000000, -0.0007430200000000 ] - [ -0.0000528800000000, -0.0000031400000000, -0.0005292200000000 ] - [ -0.0001035700000000, 0.0014868100000000, -0.0005565800000000 ] - [ -0.0001021900000000, 0.0000457600000000, -0.0005536100000000 ] - [ -0.0000072000000000, -0.0004038500000000, -0.0003698600000000 ] - [ -0.0001530700000000, -0.0000040400000000, -0.0005836900000000 ] - [ -0.0004840000000000, -0.0001612600000000, -0.0002602200000000 ] - [ -0.0005108700000000, -0.0016809900000000, -0.0002705800000000 ] - [ -0.0005436500000000, 0.0000727000000000, -0.0002278700000000 ] - [ -0.0000973300000000, 0.0000968600000000, 0.0000153500000000 ] - [ -0.0004240100000000, 0.0000735500000000, -0.0002932500000000 ] - [ -0.0008675400000000, 0.0001010500000000, -0.0005321600000000 ] - [ 0.0005406400000000, -0.0005764200000000, 0.0003316600000000 ] - [ 0.0004134400000000, -0.0000218200000000, 0.0002153200000000 ] - [ 0.0004833900000000, 0.0006671900000000, 0.0002592300000000 ] - [ 0.0004849700000000, 0.0000243300000000, 0.0002597600000000 ] - [ 0.0004214600000000, -0.0005638600000000, 0.0001807700000000 ] - [ 0.0005556200000000, -0.0000216500000000, 0.0003051500000000 ] - [ -0.0005863200000000, -0.0005731800000000, -0.0006887100000000 ] - [ -0.0005929200000000, -0.0000801400000000, -0.0006764900000000 ] - [ -0.0008975400000000, 0.0004160800000000, -0.0006943000000000 ] - [ -0.0005870400000000, 0.0000189500000000, -0.0006482800000000 ] - [ -0.0002785400000000, 0.0004201700000000, -0.0006602700000000 ] - [ -0.0005932900000000, 0.0000200200000000, -0.0007020200000000 ] - [ -0.0026476100000000, 0.0018923900000000, 0.0049552100000000 ] - [ 0.0005862700000000, -0.0000135700000000, 0.0006684400000000 ] - [ 0.0005887700000000, 0.0010404400000000, 0.0006756700000000 ] - [ 0.0005890400000000, 0.0000268400000000, 0.0006755200000000 ] - [ 0.0038226300000000, 0.0019206500000000, -0.0035976700000000 ] - [ 0.0005931900000000, -0.0000137900000000, 0.0006842300000000 ] - [ 0.0027593900000000, -0.0004718200000000, 0.0017081900000000 ] - [ 0.0027523900000000, -0.0000721300000000, 0.0017166200000000 ] - [ 0.0029954200000000, 0.0003811500000000, 0.0017251900000000 ] - [ 0.0027304500000000, 0.0000423500000000, 0.0017056500000000 ] - [ 0.0025125300000000, 0.0003846000000000, 0.0017038500000000 ] - [ 0.0027731700000000, 0.0000425800000000, 0.0017285700000000 ] - [ -0.0029358300000000, -0.0004161100000000, -0.0016159900000000 ] - [ -0.0025993400000000, -0.0001784700000000, -0.0015979800000000 ] - [ -0.0027524900000000, 0.0004400700000000, -0.0017164100000000 ] - [ -0.0027508500000000, 0.0003528100000000, -0.0017166600000000 ] - [ -0.0025634700000000, -0.0004057800000000, -0.0018131900000000 ] - [ -0.0029043900000000, -0.0001767400000000, -0.0018311900000000 ] - [ 0.0012956200000000, -0.0035666100000000, 0.0021145600000000 ] - [ 0.0013005000000000, -0.0000371800000000, 0.0021303000000000 ] - [ 0.0005876300000000, 0.0059353000000000, -0.0018690300000000 ] - [ 0.0013270700000000, 0.0000205900000000, 0.0021410700000000 ] - [ 0.0020037000000000, 0.0059103900000000, 0.0061113900000000 ] - [ 0.0012731700000000, 0.0000219500000000, 0.0021192300000000 ] - [ -0.0057688000000000, 0.0016374900000000, -0.0047085100000000 ] - [ -0.0012849000000000, -0.0000253400000000, -0.0021343500000000 ] - [ -0.0013031500000000, 0.0012728600000000, -0.0021301800000000 ] - [ -0.0012996900000000, 0.0000559400000000, -0.0021304300000000 ] - [ 0.0031391200000000, 0.0016530400000000, 0.0004425400000000 ] - [ -0.0013137800000000, -0.0000254700000000, -0.0021263800000000 ]- atom: 61 displacement: [ -0.0032259099543045, 0.0000000000000000, 0.0094653845651785 ] forces: - [ -0.0037138100000000, 0.0000000000000000, 0.0068260100000000 ] - [ 0.0010568500000000, 0.0000000000000000, 0.0006448400000000 ] - [ 0.0013019700000000, -0.0013729100000000, 0.0029649900000000 ] - [ 0.0010695200000000, -0.0000222100000000, 0.0006126800000000 ] - [ 0.0013019700000000, 0.0013729100000000, 0.0029649900000000 ] - [ 0.0010695200000000, 0.0000222100000000, 0.0006126800000000 ] - [ 0.0008227000000000, 0.0008423300000000, -0.0048233100000000 ] - [ -0.0012938600000000, -0.0000773300000000, -0.0006082000000000 ] - [ -0.0003692900000000, 0.0000000000000000, -0.0023893500000000 ] - [ -0.0011876800000000, 0.0000000000000000, -0.0006248800000000 ] - [ 0.0008227000000000, -0.0008423300000000, -0.0048233100000000 ] - [ -0.0012938600000000, 0.0000773300000000, -0.0006082000000000 ] - [ -0.0004979300000000, -0.0001044700000000, 0.0000961900000000 ] - [ -0.0016863000000000, -0.0005780600000000, 0.0006470800000000 ] - [ -0.0006743600000000, 0.0000000000000000, 0.0002005500000000 ] - [ -0.0009328800000000, 0.0000000000000000, 0.0006366100000000 ] - [ -0.0004979300000000, 0.0001044700000000, 0.0000961900000000 ] - [ -0.0016863000000000, 0.0005780600000000, 0.0006470800000000 ] - [ 0.0022188700000000, 0.0000000000000000, 0.0015311700000000 ] - [ 0.0044551800000000, 0.0000000000000000, 0.0032643500000000 ] - [ 0.0021879000000000, -0.0001868600000000, 0.0015210000000000 ] - [ 0.0029117500000000, 0.0007939900000000, 0.0022259000000000 ] - [ 0.0021879000000000, 0.0001868600000000, 0.0015210000000000 ] - [ 0.0029117500000000, -0.0007939900000000, 0.0022259000000000 ] - [ -0.0011617900000000, -0.0004691500000000, -0.0036969200000000 ] - [ -0.0023814000000000, -0.0000199100000000, -0.0012682900000000 ] - [ -0.0019535000000000, 0.0000000000000000, -0.0017853300000000 ] - [ -0.0023922800000000, 0.0000000000000000, -0.0012479700000000 ] - [ -0.0011617900000000, 0.0004691500000000, -0.0036969200000000 ] - [ -0.0023814000000000, 0.0000199100000000, -0.0012682900000000 ] - [ -0.0018457800000000, 0.0000000000000000, 0.0016367900000000 ] - [ 0.0003897400000000, 0.0000000000000000, 0.0015418200000000 ] - [ -0.0008879100000000, 0.0003357000000000, 0.0016640900000000 ] - [ 0.0004233100000000, -0.0001599500000000, 0.0016253200000000 ] - [ -0.0008879100000000, -0.0003357000000000, 0.0016640900000000 ] - [ 0.0004233100000000, 0.0001599500000000, 0.0016253200000000 ] - [ -0.0026891600000000, -0.0162928400000000, 0.0188036400000000 ] - [ -0.0003132800000000, -0.0000245600000000, -0.0019210700000000 ] - [ -0.0001572500000000, 0.0000000000000000, -0.0008069300000000 ] - [ -0.0002867000000000, 0.0000000000000000, -0.0019025800000000 ] - [ -0.0026891600000000, 0.0162928400000000, 0.0188036400000000 ] - [ -0.0003132800000000, 0.0000245600000000, -0.0019210700000000 ] - [ 0.0029442600000000, 0.0000000000000000, 0.0259011400000000 ] - [ 0.0006516100000000, 0.0000000000000000, -0.0006783500000000 ] - [ 0.0003502400000000, -0.0021837800000000, 0.0002094800000000 ] - [ 0.0006510300000000, -0.0000115900000000, -0.0006878800000000 ] - [ 0.0003502400000000, 0.0021837800000000, 0.0002094800000000 ] - [ 0.0006510300000000, 0.0000115900000000, -0.0006878800000000 ] - [ 0.0021150700000000, 0.0000000000000000, 0.0006301100000000 ] - [ 0.0012084400000000, 0.0000000000000000, 0.0010693000000000 ] - [ 0.0020921700000000, -0.0000478000000000, 0.0006795600000000 ] - [ 0.0011313100000000, -0.0000751000000000, 0.0010769900000000 ] - [ 0.0020921700000000, 0.0000478000000000, 0.0006795600000000 ] - [ 0.0011313100000000, 0.0000751000000000, 0.0010769900000000 ] - [ -0.0052135300000000, -0.0013753100000000, 0.0004471700000000 ] - [ -0.0015142600000000, 0.0000135500000000, -0.0008085000000000 ] - [ -0.0019572700000000, 0.0000000000000000, -0.0006513500000000 ] - [ -0.0015300100000000, 0.0000000000000000, -0.0008191500000000 ] - [ -0.0052135300000000, 0.0013753100000000, 0.0004471700000000 ] - [ -0.0015142600000000, -0.0000135500000000, -0.0008085000000000 ] - [ 0.0113794100000000, 0.0000000000000000, -0.0998010400000000 ] - [ 0.0000991200000000, 0.0000000000000000, 0.0005966300000000 ] - [ 0.0004327100000000, -0.0010228500000000, -0.0018442900000000 ] - [ 0.0001003500000000, 0.0000069100000000, 0.0005933600000000 ] - [ 0.0004327100000000, 0.0010228500000000, -0.0018442900000000 ] - [ 0.0001003500000000, -0.0000069100000000, 0.0005933600000000 ] - [ -0.0000506800000000, -0.0001458700000000, -0.0000337700000000 ] - [ 0.0001949000000000, 0.0000107800000000, -0.0002240000000000 ] - [ 0.0002954000000000, 0.0000000000000000, 0.0000293500000000 ] - [ -0.0000567200000000, 0.0000000000000000, -0.0004555100000000 ] - [ -0.0000506800000000, 0.0001458700000000, -0.0000337700000000 ] - [ 0.0001949000000000, -0.0000107800000000, -0.0002240000000000 ] - [ -0.0005565400000000, 0.0000000000000000, -0.0002303500000000 ] - [ 0.0023903300000000, 0.0000000000000000, -0.0016207400000000 ] - [ -0.0005725800000000, 0.0000385600000000, -0.0002152200000000 ] - [ -0.0003766900000000, 0.0002093800000000, -0.0008432700000000 ] - [ -0.0005725800000000, -0.0000385600000000, -0.0002152200000000 ] - [ -0.0003766900000000, -0.0002093800000000, -0.0008432700000000 ] - [ 0.0017167900000000, 0.0025435700000000, 0.0018979400000000 ] - [ 0.0005590700000000, 0.0000094000000000, 0.0003593400000000 ] - [ 0.0005947100000000, 0.0000000000000000, 0.0004883100000000 ] - [ 0.0005942000000000, 0.0000000000000000, 0.0003801900000000 ] - [ 0.0017167900000000, -0.0025435700000000, 0.0018979400000000 ] - [ 0.0005590700000000, -0.0000094000000000, 0.0003593400000000 ] - [ -0.0010870100000000, 0.0000000000000000, 0.0011395600000000 ] - [ -0.0002587600000000, 0.0000000000000000, -0.0005770400000000 ] - [ -0.0008548200000000, 0.0004441700000000, -0.0002557100000000 ] - [ -0.0004242300000000, 0.0000995300000000, -0.0006858000000000 ] - [ -0.0008548200000000, -0.0004441700000000, -0.0002557100000000 ] - [ -0.0004242300000000, -0.0000995300000000, -0.0006858000000000 ] - [ -0.0044339000000000, 0.0069333000000000, 0.0058546200000000 ] - [ 0.0006241200000000, 0.0000173700000000, 0.0006558900000000 ] - [ 0.0004431600000000, 0.0000000000000000, 0.0006065200000000 ] - [ 0.0006227500000000, 0.0000000000000000, 0.0006753100000000 ] - [ -0.0044339000000000, -0.0069333000000000, 0.0058546200000000 ] - [ 0.0006241200000000, -0.0000173700000000, 0.0006558900000000 ] - [ 0.0004552800000000, 0.0000000000000000, 0.0044231400000000 ] - [ 0.0028961400000000, 0.0000000000000000, 0.0017787700000000 ] - [ 0.0022771300000000, 0.0003862500000000, 0.0022644100000000 ] - [ 0.0028963000000000, 0.0000195200000000, 0.0017803300000000 ] - [ 0.0022771300000000, -0.0003862500000000, 0.0022644100000000 ] - [ 0.0028963000000000, -0.0000195200000000, 0.0017803300000000 ] - [ -0.0035122600000000, 0.0009693200000000, -0.0021171300000000 ] - [ -0.0029745000000000, 0.0001452300000000, -0.0021414200000000 ] - [ -0.0028731900000000, 0.0000000000000000, -0.0017697100000000 ] - [ -0.0029643900000000, 0.0000000000000000, -0.0019291500000000 ] - [ -0.0035122600000000, -0.0009693200000000, -0.0021171300000000 ] - [ -0.0029745000000000, -0.0001452300000000, -0.0021414200000000 ] - [ 0.0021377600000000, 0.0000000000000000, 0.0124650600000000 ] - [ 0.0013612500000000, 0.0000000000000000, 0.0021878700000000 ] - [ 0.0019436400000000, -0.0032061600000000, 0.0060114700000000 ] - [ 0.0013158900000000, 0.0000385400000000, 0.0021511200000000 ] - [ 0.0019436400000000, 0.0032061600000000, 0.0060114700000000 ] - [ 0.0013158900000000, -0.0000385400000000, 0.0021511200000000 ] - [ 0.0015839600000000, -0.0013037400000000, -0.0032365500000000 ] - [ -0.0012948500000000, 0.0000212900000000, -0.0020382400000000 ] - [ -0.0010935000000000, 0.0000000000000000, -0.0026959100000000 ] - [ -0.0013241900000000, 0.0000000000000000, -0.0020540900000000 ] - [ 0.0015839600000000, 0.0013037400000000, -0.0032365500000000 ] - [ -0.0012948500000000, -0.0000212900000000, -0.0020382400000000 ]- atom: 61 displacement: [ 0.0032259099543045, 0.0000000000000000, -0.0094653845651785 ] forces: - [ 0.0055175700000000, 0.0000000000000000, -0.0055261100000000 ] - [ 0.0009939800000000, 0.0000000000000000, 0.0005544200000000 ] - [ 0.0007554000000000, 0.0013749700000000, -0.0017447700000000 ] - [ 0.0009802700000000, 0.0000236800000000, 0.0005883700000000 ] - [ 0.0007554000000000, -0.0013749700000000, -0.0017447700000000 ] - [ 0.0009802700000000, -0.0000236800000000, 0.0005883700000000 ] - [ -0.0028725200000000, -0.0008521600000000, 0.0036341000000000 ] - [ -0.0007619100000000, 0.0000775200000000, -0.0005917000000000 ] - [ -0.0016795500000000, 0.0000000000000000, 0.0011838800000000 ] - [ -0.0008711700000000, 0.0000000000000000, -0.0005766200000000 ] - [ -0.0028725200000000, 0.0008521600000000, 0.0036341000000000 ] - [ -0.0007619100000000, -0.0000775200000000, -0.0005917000000000 ] - [ -0.0009038200000000, 0.0001034900000000, 0.0010737000000000 ] - [ 0.0002914600000000, 0.0005909400000000, 0.0005332600000000 ] - [ -0.0007268600000000, 0.0000000000000000, 0.0009653000000000 ] - [ -0.0004569700000000, 0.0000000000000000, 0.0005386600000000 ] - [ -0.0009038200000000, -0.0001034900000000, 0.0010737000000000 ] - [ 0.0002914600000000, -0.0005909400000000, 0.0005332600000000 ] - [ 0.0020162200000000, 0.0000000000000000, 0.0007710100000000 ] - [ -0.0002165600000000, 0.0000000000000000, -0.0009567000000000 ] - [ 0.0020494000000000, 0.0001875000000000, 0.0007882700000000 ] - [ 0.0013277700000000, -0.0007956200000000, 0.0000830100000000 ] - [ 0.0020494000000000, -0.0001875000000000, 0.0007882700000000 ] - [ 0.0013277700000000, 0.0007956200000000, 0.0000830100000000 ] - [ -0.0030729600000000, 0.0004635500000000, 0.0013763900000000 ] - [ -0.0018611700000000, 0.0000156800000000, -0.0010383100000000 ] - [ -0.0022854800000000, 0.0000000000000000, -0.0005235100000000 ] - [ -0.0018466400000000, 0.0000000000000000, -0.0010543700000000 ] - [ -0.0030729600000000, -0.0004635500000000, 0.0013763900000000 ] - [ -0.0018611700000000, -0.0000156800000000, -0.0010383100000000 ] - [ 0.0023684800000000, 0.0000000000000000, 0.0020515700000000 ] - [ 0.0001258500000000, 0.0000000000000000, 0.0021641000000000 ] - [ 0.0014064200000000, -0.0003204400000000, 0.0020293300000000 ] - [ 0.0000913000000000, 0.0001566800000000, 0.0020757800000000 ] - [ 0.0014064200000000, 0.0003204400000000, 0.0020293300000000 ] - [ 0.0000913000000000, -0.0001566800000000, 0.0020757800000000 ] - [ 0.0021765600000000, 0.0170900300000000, -0.0229948100000000 ] - [ -0.0002047600000000, 0.0000293700000000, -0.0017816600000000 ] - [ -0.0003563800000000, 0.0000000000000000, -0.0028959200000000 ] - [ -0.0002250200000000, 0.0000000000000000, -0.0018020200000000 ] - [ 0.0021765600000000, -0.0170900300000000, -0.0229948100000000 ] - [ -0.0002047600000000, -0.0000293700000000, -0.0017816600000000 ] - [ -0.0012631400000000, 0.0000000000000000, -0.0256674600000000 ] - [ 0.0007516000000000, 0.0000000000000000, -0.0004866500000000 ] - [ 0.0010430600000000, 0.0021729000000000, -0.0013748000000000 ] - [ 0.0007535500000000, 0.0000087000000000, -0.0004835200000000 ] - [ 0.0010430600000000, -0.0021729000000000, -0.0013748000000000 ] - [ 0.0007535500000000, -0.0000087000000000, -0.0004835200000000 ] - [ 0.0009607400000000, 0.0000000000000000, 0.0007233000000000 ] - [ 0.0018685900000000, 0.0000000000000000, 0.0002799800000000 ] - [ 0.0009810100000000, 0.0000451100000000, 0.0006774200000000 ] - [ 0.0019416300000000, 0.0000744500000000, 0.0002773100000000 ] - [ 0.0009810100000000, -0.0000451100000000, 0.0006774200000000 ] - [ 0.0019416300000000, -0.0000744500000000, 0.0002773100000000 ] - [ 0.0021377600000000, 0.0013802800000000, -0.0017951600000000 ] - [ -0.0015526100000000, -0.0000146500000000, -0.0005480900000000 ] - [ -0.0011204900000000, 0.0000000000000000, -0.0006950800000000 ] - [ -0.0015390800000000, 0.0000000000000000, -0.0005372200000000 ] - [ 0.0021377600000000, -0.0013802800000000, -0.0017951600000000 ] - [ -0.0015526100000000, 0.0000146500000000, -0.0005480900000000 ] - [ -0.0111478500000000, 0.0000000000000000, 0.1003460000000000 ] - [ 0.0001000600000000, 0.0000000000000000, 0.0005284900000000 ] - [ -0.0002399500000000, 0.0010170400000000, 0.0029677500000000 ] - [ 0.0001040300000000, -0.0000096900000000, 0.0005295400000000 ] - [ -0.0002399500000000, -0.0010170400000000, 0.0029677500000000 ] - [ 0.0001040300000000, 0.0000096900000000, 0.0005295400000000 ] - [ -0.0001490500000000, 0.0001452400000000, -0.0010814400000000 ] - [ -0.0003930300000000, -0.0000071500000000, -0.0008984800000000 ] - [ -0.0004933200000000, 0.0000000000000000, -0.0011401700000000 ] - [ -0.0001405900000000, 0.0000000000000000, -0.0006704900000000 ] - [ -0.0001490500000000, -0.0001452400000000, -0.0010814400000000 ] - [ -0.0003930300000000, 0.0000071500000000, -0.0008984800000000 ] - [ -0.0004298900000000, 0.0000000000000000, -0.0002718200000000 ] - [ -0.0034141400000000, 0.0000000000000000, 0.0010756800000000 ] - [ -0.0004110000000000, -0.0000407900000000, -0.0002952600000000 ] - [ -0.0005974500000000, -0.0002118700000000, 0.0003336300000000 ] - [ -0.0004110000000000, 0.0000407900000000, -0.0002952600000000 ] - [ -0.0005974500000000, 0.0002118700000000, 0.0003336300000000 ] - [ -0.0007261100000000, -0.0025202200000000, -0.0013804700000000 ] - [ 0.0004197700000000, -0.0000134100000000, 0.0001464400000000 ] - [ 0.0003887200000000, 0.0000000000000000, 0.0000179700000000 ] - [ 0.0003866800000000, 0.0000000000000000, 0.0001244200000000 ] - [ -0.0007261100000000, 0.0025202200000000, -0.0013804700000000 ] - [ 0.0004197700000000, 0.0000134100000000, 0.0001464400000000 ] - [ -0.0000889800000000, 0.0000000000000000, -0.0024884300000000 ] - [ -0.0009249500000000, 0.0000000000000000, -0.0007488200000000 ] - [ -0.0003225100000000, -0.0004438900000000, -0.0010651700000000 ] - [ -0.0007562100000000, -0.0000973600000000, -0.0006332100000000 ] - [ -0.0003225100000000, 0.0004438900000000, -0.0010651700000000 ] - [ -0.0007562100000000, 0.0000973600000000, -0.0006332100000000 ] - [ 0.0055603200000000, -0.0068665600000000, -0.0044998100000000 ] - [ 0.0005573300000000, -0.0000178000000000, 0.0006631600000000 ] - [ 0.0007330500000000, 0.0000000000000000, 0.0007104200000000 ] - [ 0.0005516400000000, 0.0000000000000000, 0.0006432700000000 ] - [ 0.0055603200000000, 0.0068665600000000, -0.0044998100000000 ] - [ 0.0005573300000000, 0.0000178000000000, 0.0006631600000000 ] - [ 0.0050140600000000, 0.0000000000000000, -0.0009546000000000 ] - [ 0.0025883700000000, 0.0000000000000000, 0.0016779700000000 ] - [ 0.0031985000000000, -0.0003835600000000, 0.0011830700000000 ] - [ 0.0025852200000000, -0.0000216100000000, 0.0016713500000000 ] - [ 0.0031985000000000, 0.0003835600000000, 0.0011830700000000 ] - [ 0.0025852200000000, 0.0000216100000000, 0.0016713500000000 ] - [ -0.0019673700000000, -0.0009679500000000, -0.0013341100000000 ] - [ -0.0025057000000000, -0.0001492500000000, -0.0013071700000000 ] - [ -0.0026072300000000, 0.0000000000000000, -0.0016859100000000 ] - [ -0.0025135100000000, 0.0000000000000000, -0.0015230600000000 ] - [ -0.0019673700000000, 0.0009679500000000, -0.0013341100000000 ] - [ -0.0025057000000000, 0.0001492500000000, -0.0013071700000000 ] - [ 0.0004754200000000, 0.0000000000000000, -0.0083256500000000 ] - [ 0.0012641500000000, 0.0000000000000000, 0.0020516400000000 ] - [ 0.0006786000000000, 0.0031989200000000, -0.0017661900000000 ] - [ 0.0013105100000000, -0.0000400700000000, 0.0020907800000000 ] - [ 0.0006786000000000, -0.0031989200000000, -0.0017661900000000 ] - [ 0.0013105100000000, 0.0000400700000000, 0.0020907800000000 ] - [ -0.0041834700000000, 0.0012736400000000, -0.0009745100000000 ] - [ -0.0013287000000000, -0.0000254300000000, -0.0022042400000000 ] - [ -0.0015346300000000, 0.0000000000000000, -0.0015482400000000 ] - [ -0.0013018400000000, 0.0000000000000000, -0.0021888100000000 ] - [ -0.0041834700000000, -0.0012736400000000, -0.0009745100000000 ] - [ -0.0013287000000000, 0.0000254300000000, -0.0022042400000000 ]- atom: 73 displacement: [ 0.0099999760773639, 0.0000000000000000, -0.0000218735491084 ] forces: - [ -0.0005070000000000, 0.0000000000000000, 0.0012061300000000 ] - [ -0.0009678400000000, 0.0000000000000000, 0.0009958400000000 ] - [ 0.0002144700000000, -0.0007843600000000, 0.0005448400000000 ] - [ 0.0004306600000000, 0.0005126500000000, 0.0002842600000000 ] - [ 0.0002144700000000, 0.0007843600000000, 0.0005448400000000 ] - [ 0.0004306600000000, -0.0005126500000000, 0.0002842600000000 ] - [ -0.0020475700000000, -0.0009323100000000, -0.0018526500000000 ] - [ -0.0016761700000000, 0.0004504600000000, -0.0004446000000000 ] - [ -0.0014844800000000, 0.0000000000000000, -0.0012156700000000 ] - [ -0.0011899800000000, 0.0000000000000000, -0.0006138400000000 ] - [ -0.0020475700000000, 0.0009323100000000, -0.0018526500000000 ] - [ -0.0016761700000000, -0.0004504600000000, -0.0004446000000000 ] - [ 0.0148214200000000, 0.0131474500000000, 0.0077407700000000 ] - [ -0.0015364700000000, 0.0000630300000000, 0.0003722800000000 ] - [ 0.0007966200000000, 0.0000000000000000, 0.0008719100000000 ] - [ -0.0014605200000000, 0.0000000000000000, 0.0003429200000000 ] - [ 0.0148214200000000, -0.0131474500000000, 0.0077407700000000 ] - [ -0.0015364700000000, -0.0000630300000000, 0.0003722800000000 ] - [ 0.0154051800000000, 0.0000000000000000, -0.0172668700000000 ] - [ 0.0014271300000000, 0.0000000000000000, 0.0007343600000000 ] - [ 0.0041420900000000, -0.0006482300000000, 0.0023725300000000 ] - [ 0.0014898700000000, 0.0000412400000000, 0.0007691900000000 ] - [ 0.0041420900000000, 0.0006482300000000, 0.0023725300000000 ] - [ 0.0014898700000000, -0.0000412400000000, 0.0007691900000000 ] - [ -0.0027772700000000, -0.0000710700000000, -0.0016069600000000 ] - [ -0.0012440700000000, 0.0003464700000000, 0.0011271400000000 ] - [ -0.0027062400000000, 0.0000000000000000, -0.0015876200000000 ] - [ -0.0014868200000000, 0.0000000000000000, -0.0003269000000000 ] - [ -0.0027772700000000, 0.0000710700000000, -0.0016069600000000 ] - [ -0.0012440700000000, -0.0003464700000000, 0.0011271400000000 ] - [ 0.0004815900000000, 0.0000000000000000, 0.0019380000000000 ] - [ -0.0005652700000000, 0.0000000000000000, 0.0014078800000000 ] - [ 0.0009077200000000, -0.0004758700000000, 0.0018176400000000 ] - [ -0.0003060900000000, 0.0002748700000000, 0.0015355600000000 ] - [ 0.0009077200000000, 0.0004758700000000, 0.0018176400000000 ] - [ -0.0003060900000000, -0.0002748700000000, 0.0015355600000000 ] - [ -0.0009510600000000, -0.0001325100000000, -0.0019731400000000 ] - [ 0.0004979500000000, 0.0020092300000000, -0.0033723800000000 ] - [ -0.0007187000000000, 0.0000000000000000, -0.0018831700000000 ] - [ 0.0002548800000000, 0.0000000000000000, -0.0020499500000000 ] - [ -0.0009510600000000, 0.0001325100000000, -0.0019731400000000 ] - [ 0.0004979500000000, -0.0020092300000000, -0.0033723800000000 ] - [ -0.0002049400000000, 0.0000000000000000, -0.0007896300000000 ] - [ 0.0113838800000000, 0.0000000000000000, -0.0021625700000000 ] - [ -0.0001565100000000, -0.0000447300000000, -0.0008301500000000 ] - [ 0.0010859300000000, 0.0013611100000000, -0.0011147000000000 ] - [ -0.0001565100000000, 0.0000447300000000, -0.0008301500000000 ] - [ 0.0010859300000000, -0.0013611100000000, -0.0011147000000000 ] - [ 0.0022711000000000, 0.0000000000000000, -0.0020414600000000 ] - [ 0.0022149000000000, 0.0000000000000000, 0.0009005200000000 ] - [ 0.0007141300000000, -0.0001667200000000, -0.0000504000000000 ] - [ 0.0021694100000000, -0.0000238000000000, 0.0009180000000000 ] - [ 0.0007141300000000, 0.0001667200000000, -0.0000504000000000 ] - [ 0.0021694100000000, 0.0000238000000000, 0.0009180000000000 ] - [ -0.0009291500000000, 0.0000087900000000, -0.0004923700000000 ] - [ -0.0030464100000000, 0.0000105600000000, -0.0010694000000000 ] - [ -0.0010104200000000, 0.0000000000000000, -0.0005018900000000 ] - [ -0.0022713700000000, 0.0000000000000000, -0.0011171000000000 ] - [ -0.0009291500000000, -0.0000087900000000, -0.0004923700000000 ] - [ -0.0030464100000000, -0.0000105600000000, -0.0010694000000000 ] - [ 0.0005100900000000, 0.0000000000000000, 0.0006247700000000 ] - [ 0.0083499100000000, 0.0000000000000000, 0.0064139900000000 ] - [ 0.0004709100000000, 0.0000589900000000, 0.0005960100000000 ] - [ -0.0001334600000000, -0.0003855500000000, 0.0005960700000000 ] - [ 0.0004709100000000, -0.0000589900000000, 0.0005960100000000 ] - [ -0.0001334600000000, 0.0003855500000000, 0.0005960700000000 ] - [ -0.0004809200000000, 0.0000578800000000, 0.0005971100000000 ] - [ 0.0002210700000000, -0.0000682300000000, -0.0003735300000000 ] - [ -0.0004954200000000, 0.0000000000000000, -0.0005817100000000 ] - [ 0.0001723100000000, 0.0000000000000000, -0.0003541400000000 ] - [ -0.0004809200000000, -0.0000578800000000, 0.0005971100000000 ] - [ 0.0002210700000000, 0.0000682300000000, -0.0003735300000000 ] - [ -0.0760744200000000, 0.0000000000000000, 0.0141004300000000 ] - [ 0.0000323400000000, 0.0000000000000000, -0.0001939400000000 ] - [ -0.0022834100000000, -0.0000133700000000, -0.0006342800000000 ] - [ 0.0000061200000000, -0.0000169600000000, -0.0001997100000000 ] - [ -0.0022834100000000, 0.0000133700000000, -0.0006342800000000 ] - [ 0.0000061200000000, 0.0000169600000000, -0.0001997100000000 ] - [ 0.0010133000000000, 0.0000126400000000, 0.0003457000000000 ] - [ -0.0001880700000000, -0.0045756900000000, -0.0044695400000000 ] - [ 0.0009918700000000, 0.0000000000000000, 0.0003485500000000 ] - [ -0.0000501100000000, 0.0000000000000000, 0.0001953000000000 ] - [ 0.0010133000000000, -0.0000126400000000, 0.0003457000000000 ] - [ -0.0001880700000000, 0.0045756900000000, -0.0044695400000000 ] - [ 0.0048261000000000, 0.0000000000000000, 0.0024436500000000 ] - [ 0.0000033800000000, 0.0000000000000000, -0.0006996600000000 ] - [ 0.0004766500000000, 0.0012374100000000, -0.0004234400000000 ] - [ -0.0001260200000000, -0.0001479100000000, -0.0005114300000000 ] - [ 0.0004766500000000, -0.0012374100000000, -0.0004234400000000 ] - [ -0.0001260200000000, 0.0001479100000000, -0.0005114300000000 ] - [ 0.0012132000000000, 0.0002142100000000, 0.0008881000000000 ] - [ 0.0016306200000000, -0.0013385100000000, 0.0008669900000000 ] - [ 0.0011629800000000, 0.0000000000000000, 0.0009379800000000 ] - [ 0.0006836600000000, 0.0000000000000000, 0.0006350700000000 ] - [ 0.0012132000000000, -0.0002142100000000, 0.0008881000000000 ] - [ 0.0016306200000000, 0.0013385100000000, 0.0008669900000000 ] - [ 0.0035035000000000, 0.0000000000000000, 0.0020438100000000 ] - [ 0.0032294300000000, 0.0000000000000000, -0.0013661900000000 ] - [ 0.0033598900000000, 0.0000833000000000, 0.0020059300000000 ] - [ 0.0026137600000000, -0.0003729300000000, 0.0014872500000000 ] - [ 0.0033598900000000, -0.0000833000000000, 0.0020059300000000 ] - [ 0.0026137600000000, 0.0003729300000000, 0.0014872500000000 ] - [ 0.0008691500000000, 0.0050198100000000, -0.0037463200000000 ] - [ -0.0020785900000000, -0.0001331900000000, -0.0014845500000000 ] - [ -0.0034322500000000, 0.0000000000000000, -0.0020248800000000 ] - [ -0.0021970400000000, 0.0000000000000000, -0.0015196800000000 ] - [ 0.0008691500000000, -0.0050198100000000, -0.0037463200000000 ] - [ -0.0020785900000000, 0.0001331900000000, -0.0014845500000000 ] - [ 0.0016355500000000, 0.0000000000000000, 0.0024015300000000 ] - [ 0.0015661300000000, 0.0000000000000000, 0.0024527300000000 ] - [ 0.0013542700000000, 0.0001567400000000, 0.0023204800000000 ] - [ 0.0013491500000000, -0.0002917100000000, 0.0023175700000000 ] - [ 0.0013542700000000, -0.0001567400000000, 0.0023204800000000 ] - [ 0.0013491500000000, 0.0002917100000000, 0.0023175700000000 ] - [ -0.0010094800000000, 0.0000773300000000, -0.0024132000000000 ] - [ -0.0008505100000000, -0.0005674900000000, -0.0016942200000000 ] - [ -0.0013086300000000, 0.0000000000000000, -0.0022250000000000 ] - [ -0.0012321400000000, 0.0000000000000000, -0.0019663400000000 ] - [ -0.0010094800000000, -0.0000773300000000, -0.0024132000000000 ] - [ -0.0008505100000000, 0.0005674900000000, -0.0016942200000000 ]- atom: 73 displacement: [ -0.0099999760773639, 0.0000000000000000, 0.0000218735491084 ] forces: - [ 0.0025650800000000, 0.0000000000000000, -0.0000151100000000 ] - [ 0.0030150900000000, 0.0000000000000000, 0.0001825600000000 ] - [ 0.0018330800000000, 0.0007890000000000, 0.0006383300000000 ] - [ 0.0016105100000000, -0.0005145500000000, 0.0009010200000000 ] - [ 0.0018330800000000, -0.0007890000000000, 0.0006383300000000 ] - [ 0.0016105100000000, 0.0005145500000000, 0.0009010200000000 ] - [ 0.0000088900000000, 0.0009290000000000, 0.0006653000000000 ] - [ -0.0003606700000000, -0.0004550100000000, -0.0007408800000000 ] - [ -0.0005552400000000, 0.0000000000000000, 0.0000358200000000 ] - [ -0.0008551900000000, 0.0000000000000000, -0.0005711300000000 ] - [ 0.0000088900000000, -0.0009290000000000, 0.0006653000000000 ] - [ -0.0003606700000000, 0.0004550100000000, -0.0007408800000000 ] - [ -0.0160985900000000, -0.0127714000000000, -0.0063336800000000 ] - [ 0.0001828200000000, -0.0000588700000000, 0.0007917600000000 ] - [ -0.0021593900000000, 0.0000000000000000, 0.0002927400000000 ] - [ 0.0001045200000000, 0.0000000000000000, 0.0008213300000000 ] - [ -0.0160985900000000, 0.0127714000000000, -0.0063336800000000 ] - [ 0.0001828200000000, 0.0000588700000000, 0.0007917600000000 ] - [ -0.0111923500000000, 0.0000000000000000, 0.0191750300000000 ] - [ 0.0028173700000000, 0.0000000000000000, 0.0015931400000000 ] - [ 0.0001033400000000, 0.0006524300000000, -0.0000552400000000 ] - [ 0.0027575100000000, -0.0000420700000000, 0.0015503300000000 ] - [ 0.0001033400000000, -0.0006524300000000, -0.0000552400000000 ] - [ 0.0027575100000000, 0.0000420700000000, 0.0015503300000000 ] - [ -0.0014661200000000, 0.0000674400000000, -0.0007120800000000 ] - [ -0.0030105600000000, -0.0003454300000000, -0.0034586100000000 ] - [ -0.0015343700000000, 0.0000000000000000, -0.0007307600000000 ] - [ -0.0027560500000000, 0.0000000000000000, -0.0019928400000000 ] - [ -0.0014661200000000, -0.0000674400000000, -0.0007120800000000 ] - [ -0.0030105600000000, 0.0003454300000000, -0.0034586100000000 ] - [ 0.0000749600000000, 0.0000000000000000, 0.0017722500000000 ] - [ 0.0011204900000000, 0.0000000000000000, 0.0023077900000000 ] - [ -0.0003615800000000, 0.0004795300000000, 0.0018954700000000 ] - [ 0.0008541300000000, -0.0002828200000000, 0.0021761800000000 ] - [ -0.0003615800000000, -0.0004795300000000, 0.0018954700000000 ] - [ 0.0008541300000000, 0.0002828200000000, 0.0021761800000000 ] - [ 0.0004075400000000, 0.0001297600000000, -0.0017339700000000 ] - [ -0.0010590500000000, -0.0020157200000000, -0.0003370200000000 ] - [ 0.0001742500000000, 0.0000000000000000, -0.0018223800000000 ] - [ -0.0008009200000000, 0.0000000000000000, -0.0016639600000000 ] - [ 0.0004075400000000, -0.0001297600000000, -0.0017339700000000 ] - [ -0.0010590500000000, 0.0020157200000000, -0.0003370200000000 ] - [ 0.0015675100000000, 0.0000000000000000, -0.0003668700000000 ] - [ -0.0108558400000000, 0.0000000000000000, 0.0014235000000000 ] - [ 0.0015184500000000, 0.0000475600000000, -0.0003320500000000 ] - [ 0.0002703800000000, -0.0013678800000000, -0.0000565600000000 ] - [ 0.0015184500000000, -0.0000475600000000, -0.0003320500000000 ] - [ 0.0002703800000000, 0.0013678800000000, -0.0000565600000000 ] - [ 0.0007876900000000, 0.0000000000000000, 0.0034471100000000 ] - [ 0.0008537000000000, 0.0000000000000000, 0.0004523600000000 ] - [ 0.0023546600000000, 0.0001659200000000, 0.0014132500000000 ] - [ 0.0008963600000000, 0.0000222400000000, 0.0004404500000000 ] - [ 0.0023546600000000, -0.0001659200000000, 0.0014132500000000 ] - [ 0.0008963600000000, -0.0000222400000000, 0.0004404500000000 ] - [ -0.0021459400000000, -0.0000085400000000, -0.0008648400000000 ] - [ -0.0000086400000000, -0.0000176100000000, -0.0002837300000000 ] - [ -0.0020640700000000, 0.0000000000000000, -0.0008543300000000 ] - [ -0.0007924200000000, 0.0000000000000000, -0.0002453000000000 ] - [ -0.0021459400000000, 0.0000085400000000, -0.0008648400000000 ] - [ -0.0000086400000000, 0.0000176100000000, -0.0002837300000000 ] - [ -0.0002952300000000, 0.0000000000000000, 0.0004805500000000 ] - [ -0.0082587300000000, 0.0000000000000000, -0.0053918500000000 ] - [ -0.0002647700000000, -0.0000610700000000, 0.0005101600000000 ] - [ 0.0003532000000000, 0.0003833100000000, 0.0005132500000000 ] - [ -0.0002647700000000, 0.0000610700000000, 0.0005101600000000 ] - [ 0.0003532000000000, -0.0003833100000000, 0.0005132500000000 ] - [ 0.0002683300000000, -0.0000614500000000, -0.0017072400000000 ] - [ -0.0004359500000000, 0.0000725100000000, -0.0007345700000000 ] - [ 0.0002825300000000, 0.0000000000000000, -0.0005210700000000 ] - [ -0.0003843800000000, 0.0000000000000000, -0.0007580700000000 ] - [ 0.0002683300000000, 0.0000614500000000, -0.0017072400000000 ] - [ -0.0004359500000000, -0.0000725100000000, -0.0007345700000000 ] - [ 0.0758077900000000, 0.0000000000000000, -0.0150972300000000 ] - [ -0.0010140100000000, 0.0000000000000000, -0.0003194700000000 ] - [ 0.0013078600000000, 0.0000040900000000, 0.0001185000000000 ] - [ -0.0009805500000000, 0.0000150800000000, -0.0003125600000000 ] - [ 0.0013078600000000, -0.0000040900000000, 0.0001185000000000 ] - [ -0.0009805500000000, -0.0000150800000000, -0.0003125600000000 ] - [ -0.0000410400000000, -0.0000144600000000, 0.0001702600000000 ] - [ 0.0011908600000000, 0.0045782100000000, 0.0049878700000000 ] - [ -0.0000153300000000, 0.0000000000000000, 0.0001623500000000 ] - [ 0.0010297300000000, 0.0000000000000000, 0.0003121600000000 ] - [ -0.0000410400000000, 0.0000144600000000, 0.0001702600000000 ] - [ 0.0011908600000000, -0.0045782100000000, 0.0049878700000000 ] - [ -0.0059799400000000, 0.0000000000000000, -0.0037477200000000 ] - [ -0.0012155000000000, 0.0000000000000000, -0.0006380200000000 ] - [ -0.0016911600000000, -0.0012473300000000, -0.0009142100000000 ] - [ -0.0010856300000000, 0.0001517400000000, -0.0008244800000000 ] - [ -0.0016911600000000, 0.0012473300000000, -0.0009142100000000 ] - [ -0.0010856300000000, -0.0001517400000000, -0.0008244800000000 ] - [ -0.0000107900000000, -0.0002134500000000, 0.0004477500000000 ] - [ -0.0004258200000000, 0.0013505700000000, 0.0004638200000000 ] - [ 0.0000424000000000, 0.0000000000000000, 0.0003946300000000 ] - [ 0.0005219300000000, 0.0000000000000000, 0.0006994900000000 ] - [ -0.0000107900000000, 0.0002134500000000, 0.0004477500000000 ] - [ -0.0004258200000000, -0.0013505700000000, 0.0004638200000000 ] - [ 0.0020105700000000, 0.0000000000000000, 0.0014241300000000 ] - [ 0.0022855500000000, 0.0000000000000000, 0.0048683000000000 ] - [ 0.0021520800000000, -0.0000841800000000, 0.0014515100000000 ] - [ 0.0029071300000000, 0.0003711200000000, 0.0019772200000000 ] - [ 0.0021520800000000, 0.0000841800000000, 0.0014515100000000 ] - [ 0.0029071300000000, -0.0003711200000000, 0.0019772200000000 ] - [ -0.0063734300000000, -0.0049796300000000, 0.0002637900000000 ] - [ -0.0034416400000000, 0.0001312000000000, -0.0019774300000000 ] - [ -0.0020814600000000, 0.0000000000000000, -0.0014389500000000 ] - [ -0.0033189600000000, 0.0000000000000000, -0.0019459100000000 ] - [ -0.0063734300000000, 0.0049796300000000, 0.0002637900000000 ] - [ -0.0034416400000000, -0.0001312000000000, -0.0019774300000000 ] - [ 0.0009764100000000, 0.0000000000000000, 0.0018787300000000 ] - [ 0.0010469800000000, 0.0000000000000000, 0.0018173100000000 ] - [ 0.0012587200000000, -0.0001580100000000, 0.0019544900000000 ] - [ 0.0012674800000000, 0.0002911100000000, 0.0019532100000000 ] - [ 0.0012587200000000, 0.0001580100000000, 0.0019544900000000 ] - [ 0.0012674800000000, -0.0002911100000000, 0.0019532100000000 ] - [ -0.0016080800000000, -0.0000786200000000, -0.0018565600000000 ] - [ -0.0017647000000000, 0.0005676100000000, -0.0025822800000000 ] - [ -0.0013080000000000, 0.0000000000000000, -0.0020453500000000 ] - [ -0.0013844400000000, 0.0000000000000000, -0.0023068200000000 ] - [ -0.0016080800000000, 0.0000786200000000, -0.0018565600000000 ] - [ -0.0017647000000000, -0.0005676100000000, -0.0025822800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010222300000000, 0.0017580100000000, 0.0005714900000000 ] - [ 0.0010155100000000, 0.0000801200000000, 0.0005740600000000 ] - [ 0.0000097700000000, -0.0008453700000000, 0.0007340900000000 ] - [ 0.0011929500000000, -0.0000817100000000, 0.0005670400000000 ] - [ 0.0020331100000000, -0.0008511100000000, 0.0004169800000000 ] - [ 0.0008414100000000, -0.0000875700000000, 0.0005777400000000 ] - [ -0.0018157700000000, 0.0006803800000000, -0.0008741700000000 ] - [ -0.0008256900000000, 0.0001964000000000, -0.0005323300000000 ] - [ -0.0010220800000000, -0.0013807100000000, -0.0005758500000000 ] - [ -0.0010205500000000, -0.0003926300000000, -0.0005717400000000 ] - [ -0.0002247900000000, 0.0006700000000000, -0.0002694500000000 ] - [ -0.0012173300000000, 0.0001917900000000, -0.0006122300000000 ] - [ 0.0113247600000000, 0.0220288600000000, 0.0116080200000000 ] - [ -0.0007025800000000, 0.0000217700000000, 0.0005716700000000 ] - [ -0.0007087900000000, -0.0035553800000000, 0.0005718700000000 ] - [ -0.0007076300000000, -0.0000433000000000, 0.0005758300000000 ] - [ -0.0121004200000000, 0.0213304700000000, -0.0098962800000000 ] - [ -0.0007122400000000, 0.0000178000000000, 0.0005809200000000 ] - [ 0.0020782200000000, 0.0034422300000000, 0.0011925400000000 ] - [ 0.0021087800000000, 0.0000639200000000, 0.0011502300000000 ] - [ 0.0018612800000000, -0.0014584800000000, 0.0025395000000000 ] - [ 0.0020964000000000, -0.0000327000000000, 0.0011496400000000 ] - [ 0.0023617600000000, -0.0014673500000000, -0.0002308700000000 ] - [ 0.0021211900000000, -0.0000293800000000, 0.0011494600000000 ] - [ -0.0021490500000000, 0.0000540300000000, -0.0011519700000000 ] - [ -0.0014344100000000, 0.0004880800000000, -0.0024535200000000 ] - [ -0.0021131700000000, -0.0001068200000000, -0.0011488100000000 ] - [ -0.0021065600000000, -0.0010827300000000, -0.0011487800000000 ] - [ -0.0020707200000000, 0.0000526300000000, -0.0011528400000000 ] - [ -0.0027856700000000, 0.0004827500000000, 0.0001585900000000 ] - [ 0.0002702500000000, 0.0021713500000000, 0.0018536700000000 ] - [ 0.0002636600000000, 0.0000587900000000, 0.0018574900000000 ] - [ 0.0000093400000000, -0.0010839400000000, 0.0014024100000000 ] - [ 0.0003336700000000, -0.0000134900000000, 0.0018508300000000 ] - [ 0.0005243400000000, -0.0010824200000000, 0.0023068200000000 ] - [ 0.0001946100000000, -0.0000119700000000, 0.0018616900000000 ] - [ -0.0005633300000000, 0.0001550600000000, -0.0018995500000000 ] - [ 0.0005944300000000, 0.0003971200000000, -0.0017101800000000 ] - [ -0.0002655200000000, -0.0002956300000000, -0.0018575400000000 ] - [ -0.0002629500000000, -0.0005769700000000, -0.0018579800000000 ] - [ 0.0000291500000000, 0.0001551500000000, -0.0018147700000000 ] - [ -0.0011291800000000, 0.0003906200000000, -0.0020088000000000 ] - [ 0.0007039800000000, 0.0001626100000000, -0.0005750000000000 ] - [ 0.0007242500000000, 0.0044484600000000, -0.0005799000000000 ] - [ 0.0006529000000000, -0.0000930000000000, -0.0005770200000000 ] - [ 0.0022031900000000, -0.0014717600000000, -0.0001367000000000 ] - [ 0.0007567700000000, -0.0000913000000000, -0.0005777200000000 ] - [ -0.0007783800000000, -0.0014796800000000, -0.0010171600000000 ] - [ 0.0015209600000000, -0.0005751400000000, 0.0006946100000000 ] - [ 0.0015314400000000, -0.0000292800000000, 0.0006774300000000 ] - [ 0.0015938800000000, 0.0005142800000000, 0.0006205800000000 ] - [ 0.0015357600000000, 0.0000103700000000, 0.0006930400000000 ] - [ 0.0014580300000000, 0.0005157700000000, 0.0007438000000000 ] - [ 0.0015250000000000, 0.0000118000000000, 0.0006679600000000 ] - [ -0.0014664900000000, -0.0000248200000000, -0.0006913900000000 ] - [ -0.0016873700000000, 0.0000578000000000, -0.0014054800000000 ] - [ -0.0015306600000000, 0.0000465900000000, -0.0006786000000000 ] - [ -0.0015295500000000, 0.0007415000000000, -0.0006828900000000 ] - [ -0.0015946300000000, -0.0000246100000000, -0.0006665700000000 ] - [ -0.0013647600000000, 0.0000652700000000, 0.0000447500000000 ] - [ 0.0001245800000000, -0.0001618000000000, 0.0005496100000000 ] - [ 0.0001333200000000, -0.0016806300000000, 0.0005580200000000 ] - [ 0.0002350400000000, 0.0000728500000000, 0.0005463100000000 ] - [ -0.0001863600000000, 0.0000974600000000, 0.0002219100000000 ] - [ 0.0000079100000000, 0.0000735900000000, 0.0005523900000000 ] - [ 0.0004336100000000, 0.0000980600000000, 0.0008786000000000 ] - [ 0.0001603400000000, -0.0005712200000000, 0.0022308100000000 ] - [ -0.0001285900000000, -0.0000219300000000, -0.0005409600000000 ] - [ -0.0001217600000000, 0.0006664400000000, -0.0005463800000000 ] - [ -0.0001212300000000, 0.0000239700000000, -0.0005509900000000 ] - [ -0.0004058100000000, -0.0005675200000000, -0.0033103300000000 ] - [ -0.0001175800000000, -0.0000235200000000, -0.0005586100000000 ] - [ -0.0011143100000000, -0.0674985600000000, -0.0009386900000000 ] - [ -0.0005006700000000, -0.0000111000000000, -0.0002593800000000 ] - [ -0.0004917900000000, 0.0046041100000000, -0.0006088300000000 ] - [ -0.0004830600000000, 0.0000072000000000, -0.0002457200000000 ] - [ -0.0005083600000000, 0.0045611900000000, 0.0000831600000000 ] - [ -0.0005132700000000, 0.0000076000000000, -0.0002728000000000 ] - [ 0.0005143400000000, -0.0000100200000000, 0.0002518700000000 ] - [ -0.0040804500000000, 0.0037423800000000, 0.0069717100000000 ] - [ 0.0005018600000000, 0.0000335100000000, 0.0002595900000000 ] - [ 0.0004958300000000, 0.0010149900000000, 0.0002598200000000 ] - [ 0.0004868000000000, -0.0000078900000000, 0.0002709800000000 ] - [ 0.0050484600000000, 0.0037376900000000, -0.0063986600000000 ] - [ -0.0006231900000000, -0.0023174000000000, -0.0006770600000000 ] - [ -0.0006127800000000, -0.0000816700000000, -0.0006685900000000 ] - [ 0.0024615800000000, 0.0030432100000000, -0.0000001800000000 ] - [ -0.0006319100000000, 0.0000478300000000, -0.0006511400000000 ] - [ -0.0036629000000000, 0.0030265800000000, -0.0013341500000000 ] - [ -0.0005930300000000, 0.0000458600000000, -0.0006837000000000 ] - [ 0.0007707500000000, -0.0002367200000000, 0.0006850300000000 ] - [ 0.0003745900000000, -0.0002421500000000, 0.0006017800000000 ] - [ 0.0006144300000000, 0.0007330600000000, 0.0006666000000000 ] - [ 0.0006100900000000, 0.0004571500000000, 0.0006664400000000 ] - [ 0.0004532300000000, -0.0002361200000000, 0.0006516200000000 ] - [ 0.0008547100000000, -0.0002388500000000, 0.0007347800000000 ] - [ 0.0027729500000000, -0.0001912700000000, 0.0017430100000000 ] - [ 0.0027746600000000, -0.0007643700000000, 0.0017367800000000 ] - [ 0.0028580500000000, 0.0000950300000000, 0.0017727000000000 ] - [ 0.0022522100000000, 0.0006356000000000, 0.0017703000000000 ] - [ 0.0026871400000000, 0.0000962300000000, 0.0017068200000000 ] - [ 0.0032891200000000, 0.0006382300000000, 0.0017121200000000 ] - [ 0.0013261500000000, 0.0016077200000000, -0.0035933400000000 ] - [ -0.0027955800000000, -0.0000187700000000, -0.0017413800000000 ] - [ -0.0027709900000000, 0.0011952000000000, -0.0017443100000000 ] - [ -0.0027703200000000, 0.0000436300000000, -0.0017413300000000 ] - [ -0.0068621800000000, 0.0016199900000000, 0.0001017700000000 ] - [ -0.0027495600000000, -0.0000164000000000, -0.0017377700000000 ] - [ 0.0013115900000000, -0.0005138800000000, 0.0021507100000000 ] - [ 0.0013107200000000, -0.0002017800000000, 0.0021454500000000 ] - [ 0.0015003500000000, 0.0002470200000000, 0.0022299500000000 ] - [ 0.0012182200000000, 0.0000890600000000, 0.0021474800000000 ] - [ 0.0011230400000000, 0.0002488900000000, 0.0020701100000000 ] - [ 0.0014057100000000, 0.0000889900000000, 0.0021469300000000 ] - [ -0.0009491000000000, -0.0003204900000000, -0.0022975000000000 ] - [ -0.0013715800000000, -0.0001419800000000, -0.0021310400000000 ] - [ -0.0013113900000000, 0.0005059900000000, -0.0021451600000000 ] - [ -0.0013119800000000, 0.0001368900000000, -0.0021475100000000 ] - [ -0.0016729200000000, -0.0003206400000000, -0.0019914400000000 ] - [ -0.0012514000000000, -0.0001390800000000, -0.0021668400000000 ]- atom: 73 displacement: [ -0.0032259099543045, 0.0000000000000000, 0.0094653845651785 ] forces: - [ 0.0025293800000000, 0.0000000000000000, 0.0015579800000000 ] - [ 0.0012319200000000, 0.0000000000000000, 0.0012434400000000 ] - [ 0.0020589700000000, 0.0009056900000000, 0.0013517100000000 ] - [ 0.0012452400000000, -0.0001390600000000, 0.0009933500000000 ] - [ 0.0020589700000000, -0.0009056900000000, 0.0013517100000000 ] - [ 0.0012452400000000, 0.0001390600000000, 0.0009933500000000 ] - [ -0.0014268300000000, -0.0000213200000000, -0.0009456100000000 ] - [ -0.0006567300000000, -0.0000659800000000, -0.0010342600000000 ] - [ -0.0010719100000000, 0.0000000000000000, -0.0008874900000000 ] - [ -0.0007740900000000, 0.0000000000000000, -0.0007538300000000 ] - [ -0.0014268300000000, 0.0000213200000000, -0.0009456100000000 ] - [ -0.0006567300000000, 0.0000659800000000, -0.0010342600000000 ] - [ 0.0005532300000000, 0.0055942000000000, 0.0107201900000000 ] - [ -0.0005205100000000, 0.0000022900000000, 0.0006170900000000 ] - [ -0.0009656600000000, 0.0000000000000000, 0.0007245200000000 ] - [ -0.0005200600000000, 0.0000000000000000, 0.0006062700000000 ] - [ 0.0005532300000000, -0.0055942000000000, 0.0107201900000000 ] - [ -0.0005205100000000, -0.0000022900000000, 0.0006170900000000 ] - [ -0.0177338100000000, 0.0000000000000000, 0.0334097300000000 ] - [ 0.0022422200000000, 0.0000000000000000, 0.0012515000000000 ] - [ 0.0014532400000000, 0.0019248600000000, 0.0012894400000000 ] - [ 0.0022313900000000, 0.0000330800000000, 0.0012419400000000 ] - [ 0.0014532400000000, -0.0019248600000000, 0.0012894400000000 ] - [ 0.0022313900000000, -0.0000330800000000, 0.0012419400000000 ] - [ -0.0020752000000000, 0.0000079000000000, -0.0011463800000000 ] - [ -0.0018688300000000, 0.0012288700000000, -0.0061737600000000 ] - [ -0.0020878700000000, 0.0000000000000000, -0.0011309100000000 ] - [ -0.0022763900000000, 0.0000000000000000, -0.0020876600000000 ] - [ -0.0020752000000000, -0.0000079000000000, -0.0011463800000000 ] - [ -0.0018688300000000, -0.0012288700000000, -0.0061737600000000 ] - [ 0.0022416500000000, 0.0000000000000000, 0.0005234300000000 ] - [ 0.0002291900000000, 0.0000000000000000, 0.0018141600000000 ] - [ 0.0003608500000000, -0.0000785700000000, 0.0011791200000000 ] - [ 0.0002554200000000, 0.0000485200000000, 0.0018600900000000 ] - [ 0.0003608500000000, 0.0000785700000000, 0.0011791200000000 ] - [ 0.0002554200000000, -0.0000485200000000, 0.0018600900000000 ] - [ 0.0000908500000000, 0.0000776000000000, -0.0019722300000000 ] - [ -0.0018219100000000, 0.0000025400000000, -0.0015885200000000 ] - [ -0.0001441300000000, 0.0000000000000000, -0.0020269700000000 ] - [ -0.0006611800000000, 0.0000000000000000, -0.0016082700000000 ] - [ 0.0000908500000000, -0.0000776000000000, -0.0019722300000000 ] - [ -0.0018219100000000, -0.0000025400000000, -0.0015885200000000 ] - [ 0.0008737200000000, 0.0000000000000000, -0.0004774800000000 ] - [ -0.0075824700000000, 0.0000000000000000, 0.0059063600000000 ] - [ 0.0008518600000000, 0.0000258400000000, -0.0005079900000000 ] - [ 0.0012908700000000, -0.0013832200000000, 0.0009318300000000 ] - [ 0.0008518600000000, -0.0000258400000000, -0.0005079900000000 ] - [ 0.0012908700000000, 0.0013832200000000, 0.0009318300000000 ] - [ -0.0020893100000000, 0.0000000000000000, 0.0091182700000000 ] - [ 0.0015169300000000, 0.0000000000000000, 0.0006856900000000 ] - [ 0.0014559300000000, -0.0001136200000000, 0.0014465900000000 ] - [ 0.0015138300000000, -0.0000123900000000, 0.0006754500000000 ] - [ 0.0014559300000000, 0.0001136200000000, 0.0014465900000000 ] - [ 0.0015138300000000, 0.0000123900000000, 0.0006754500000000 ] - [ -0.0017138100000000, -0.0000110100000000, -0.0006969500000000 ] - [ -0.0002842600000000, -0.0025847500000000, 0.0022318400000000 ] - [ -0.0016259600000000, 0.0000000000000000, -0.0006950400000000 ] - [ -0.0012237900000000, 0.0000000000000000, -0.0004051100000000 ] - [ -0.0017138100000000, 0.0000110100000000, -0.0006969500000000 ] - [ -0.0002842600000000, 0.0025847500000000, 0.0022318400000000 ] - [ -0.0000712900000000, 0.0000000000000000, 0.0005391100000000 ] - [ 0.0026689500000000, 0.0000000000000000, -0.0008940800000000 ] - [ -0.0000812500000000, -0.0000496000000000, 0.0005605100000000 ] - [ 0.0002593600000000, -0.0001338000000000, -0.0000167600000000 ] - [ -0.0000812500000000, 0.0000496000000000, 0.0005605100000000 ] - [ 0.0002593600000000, 0.0001338000000000, -0.0000167600000000 ] - [ -0.0000667700000000, 0.0000548500000000, 0.0006691100000000 ] - [ -0.0001778400000000, -0.0000186000000000, -0.0004996100000000 ] - [ -0.0000520300000000, 0.0000000000000000, -0.0003408000000000 ] - [ -0.0001570700000000, 0.0000000000000000, -0.0004842600000000 ] - [ -0.0000667700000000, -0.0000548500000000, 0.0006691100000000 ] - [ -0.0001778400000000, 0.0000186000000000, -0.0004996100000000 ] - [ 0.0373495600000000, 0.0000000000000000, -0.0816390100000000 ] - [ -0.0006172300000000, 0.0000000000000000, -0.0002952500000000 ] - [ -0.0002829700000000, 0.0003212900000000, -0.0014186300000000 ] - [ -0.0006118000000000, -0.0000069000000000, -0.0002906500000000 ] - [ -0.0002829700000000, -0.0003212900000000, -0.0014186300000000 ] - [ -0.0006118000000000, 0.0000069000000000, -0.0002906500000000 ] - [ 0.0004201300000000, -0.0000132900000000, 0.0002292000000000 ] - [ -0.0037540600000000, 0.0078465100000000, 0.0079143600000000 ] - [ 0.0004328800000000, 0.0000000000000000, 0.0002384100000000 ] - [ 0.0006228400000000, 0.0000000000000000, 0.0003760300000000 ] - [ 0.0004201300000000, 0.0000132900000000, 0.0002292000000000 ] - [ -0.0037540600000000, -0.0078465100000000, 0.0079143600000000 ] - [ 0.0013450800000000, 0.0000000000000000, -0.0013913500000000 ] - [ -0.0007682300000000, 0.0000000000000000, -0.0007581600000000 ] - [ 0.0009332600000000, 0.0010335900000000, -0.0007138100000000 ] - [ -0.0007652200000000, 0.0000376800000000, -0.0006937600000000 ] - [ 0.0009332600000000, -0.0010335900000000, -0.0007138100000000 ] - [ -0.0007652200000000, -0.0000376800000000, -0.0006937600000000 ] - [ 0.0004349200000000, 0.0000274400000000, 0.0003696900000000 ] - [ -0.0004401900000000, 0.0006887500000000, 0.0002304100000000 ] - [ 0.0005142800000000, 0.0000000000000000, 0.0002952400000000 ] - [ 0.0002957200000000, 0.0000000000000000, 0.0005931900000000 ] - [ 0.0004349200000000, -0.0000274400000000, 0.0003696900000000 ] - [ -0.0004401900000000, -0.0006887500000000, 0.0002304100000000 ] - [ 0.0027803400000000, 0.0000000000000000, 0.0017369500000000 ] - [ 0.0022739900000000, 0.0000000000000000, 0.0038710800000000 ] - [ 0.0027796400000000, -0.0000090900000000, 0.0016919400000000 ] - [ 0.0022832300000000, 0.0002794100000000, 0.0022878200000000 ] - [ 0.0027796400000000, 0.0000090900000000, 0.0016919400000000 ] - [ 0.0022832300000000, -0.0002794100000000, 0.0022878200000000 ] - [ -0.0073488400000000, -0.0052594000000000, -0.0026122700000000 ] - [ -0.0028707800000000, -0.0000368900000000, -0.0017917500000000 ] - [ -0.0027014800000000, 0.0000000000000000, -0.0019869000000000 ] - [ -0.0029003500000000, 0.0000000000000000, -0.0017872100000000 ] - [ -0.0073488400000000, 0.0052594000000000, -0.0026122700000000 ] - [ -0.0028707800000000, 0.0000368900000000, -0.0017917500000000 ] - [ 0.0009497100000000, 0.0000000000000000, 0.0023568700000000 ] - [ 0.0014213300000000, 0.0000000000000000, 0.0023680800000000 ] - [ 0.0012937700000000, -0.0000224800000000, 0.0023511500000000 ] - [ 0.0014258300000000, -0.0001443700000000, 0.0023127500000000 ] - [ 0.0012937700000000, 0.0000224800000000, 0.0023511500000000 ] - [ 0.0014258300000000, 0.0001443700000000, 0.0023127500000000 ] - [ -0.0017268300000000, -0.0000923200000000, -0.0015974600000000 ] - [ -0.0011328500000000, -0.0000443600000000, -0.0021919800000000 ] - [ -0.0013621400000000, 0.0000000000000000, -0.0018402700000000 ] - [ -0.0012618100000000, 0.0000000000000000, -0.0022527100000000 ] - [ -0.0017268300000000, 0.0000923200000000, -0.0015974600000000 ] - [ -0.0011328500000000, 0.0000443600000000, -0.0021919800000000 ]- atom: 73 displacement: [ 0.0032259099543045, 0.0000000000000000, -0.0094653845651785 ] forces: - [ -0.0004777600000000, 0.0000000000000000, -0.0003803000000000 ] - [ 0.0008170300000000, 0.0000000000000000, -0.0000403800000000 ] - [ -0.0000087300000000, -0.0009121500000000, -0.0001643900000000 ] - [ 0.0008099100000000, 0.0001420000000000, 0.0002072000000000 ] - [ -0.0000087300000000, 0.0009121500000000, -0.0001643900000000 ] - [ 0.0008099100000000, -0.0001420000000000, 0.0002072000000000 ] - [ -0.0006211500000000, 0.0000327900000000, -0.0002359400000000 ] - [ -0.0013965100000000, 0.0000677300000000, -0.0001610200000000 ] - [ -0.0009819300000000, 0.0000000000000000, -0.0003009000000000 ] - [ -0.0012815000000000, 0.0000000000000000, -0.0004413800000000 ] - [ -0.0006211500000000, -0.0000327900000000, -0.0002359400000000 ] - [ -0.0013965100000000, -0.0000677300000000, -0.0001610200000000 ] - [ -0.0018642400000000, -0.0055297100000000, -0.0096321800000000 ] - [ -0.0008674900000000, -0.0000005300000000, 0.0005539600000000 ] - [ -0.0004273200000000, 0.0000000000000000, 0.0004469900000000 ] - [ -0.0008691000000000, 0.0000000000000000, 0.0005675600000000 ] - [ -0.0018642400000000, 0.0055297100000000, -0.0096321800000000 ] - [ -0.0008674900000000, 0.0000005300000000, 0.0005539600000000 ] - [ 0.0230195800000000, 0.0000000000000000, -0.0329858400000000 ] - [ 0.0019899700000000, 0.0000000000000000, 0.0010610600000000 ] - [ 0.0027824700000000, -0.0019391700000000, 0.0010042600000000 ] - [ 0.0020019800000000, -0.0000339000000000, 0.0010694500000000 ] - [ 0.0027824700000000, 0.0019391700000000, 0.0010042600000000 ] - [ 0.0020019800000000, 0.0000339000000000, 0.0010694500000000 ] - [ -0.0021529800000000, -0.0000074000000000, -0.0011602700000000 ] - [ -0.0023613700000000, -0.0012451300000000, 0.0038916200000000 ] - [ -0.0021418700000000, 0.0000000000000000, -0.0011777100000000 ] - [ -0.0019598200000000, 0.0000000000000000, -0.0002136900000000 ] - [ -0.0021529800000000, 0.0000074000000000, -0.0011602700000000 ] - [ -0.0023613700000000, 0.0012451300000000, 0.0038916200000000 ] - [ -0.0017340700000000, 0.0000000000000000, 0.0031996700000000 ] - [ 0.0003131500000000, 0.0000000000000000, 0.0018933600000000 ] - [ 0.0001778000000000, 0.0000790700000000, 0.0025382300000000 ] - [ 0.0002903300000000, -0.0000484200000000, 0.0018479000000000 ] - [ 0.0001778000000000, -0.0000790700000000, 0.0025382300000000 ] - [ 0.0002903300000000, 0.0000484200000000, 0.0018479000000000 ] - [ -0.0006337400000000, -0.0000763500000000, -0.0017363000000000 ] - [ 0.0012962500000000, 0.0000132700000000, -0.0021344300000000 ] - [ -0.0003995800000000, 0.0000000000000000, -0.0016791800000000 ] - [ 0.0001193700000000, 0.0000000000000000, -0.0020999100000000 ] - [ -0.0006337400000000, 0.0000763500000000, -0.0017363000000000 ] - [ 0.0012962500000000, -0.0000132700000000, -0.0021344300000000 ] - [ 0.0005247800000000, 0.0000000000000000, -0.0006910700000000 ] - [ 0.0084078800000000, 0.0000000000000000, -0.0068596000000000 ] - [ 0.0005434800000000, -0.0000237400000000, -0.0006620100000000 ] - [ 0.0000881000000000, 0.0013815700000000, -0.0020932400000000 ] - [ 0.0005434800000000, 0.0000237400000000, -0.0006620100000000 ] - [ 0.0000881000000000, -0.0013815700000000, -0.0020932400000000 ] - [ 0.0052073300000000, 0.0000000000000000, -0.0078383800000000 ] - [ 0.0015520600000000, 0.0000000000000000, 0.0006748500000000 ] - [ 0.0016157100000000, 0.0001170300000000, -0.0000782800000000 ] - [ 0.0015533900000000, 0.0000116000000000, 0.0006893300000000 ] - [ 0.0016157100000000, -0.0001170300000000, -0.0000782800000000 ] - [ 0.0015533900000000, -0.0000116000000000, 0.0006893300000000 ] - [ -0.0013583700000000, 0.0000105800000000, -0.0006687300000000 ] - [ -0.0027984300000000, 0.0026150200000000, -0.0036227200000000 ] - [ -0.0014472100000000, 0.0000000000000000, -0.0006686400000000 ] - [ -0.0018458000000000, 0.0000000000000000, -0.0009623800000000 ] - [ -0.0013583700000000, -0.0000105800000000, -0.0006687300000000 ] - [ -0.0027984300000000, -0.0026150200000000, -0.0036227200000000 ] - [ 0.0002859300000000, 0.0000000000000000, 0.0005693800000000 ] - [ -0.0024252400000000, 0.0000000000000000, 0.0020411100000000 ] - [ 0.0002914300000000, 0.0000499900000000, 0.0005491300000000 ] - [ -0.0000473900000000, 0.0001339900000000, 0.0011283700000000 ] - [ 0.0002914300000000, -0.0000499900000000, 0.0005491300000000 ] - [ -0.0000473900000000, -0.0001339900000000, 0.0011283700000000 ] - [ -0.0001382900000000, -0.0000496800000000, -0.0018009700000000 ] - [ -0.0000366500000000, 0.0000207000000000, -0.0006119300000000 ] - [ -0.0001538200000000, 0.0000000000000000, -0.0007706800000000 ] - [ -0.0000552000000000, 0.0000000000000000, -0.0006285100000000 ] - [ -0.0001382900000000, 0.0000496800000000, -0.0018009700000000 ] - [ -0.0000366500000000, -0.0000207000000000, -0.0006119300000000 ] - [ -0.0389260300000000, 0.0000000000000000, 0.0829223000000000 ] - [ -0.0003834900000000, 0.0000000000000000, -0.0002240400000000 ] - [ -0.0007136400000000, -0.0003390900000000, 0.0009086400000000 ] - [ -0.0003854200000000, 0.0000060100000000, -0.0002281900000000 ] - [ -0.0007136400000000, 0.0003390900000000, 0.0009086400000000 ] - [ -0.0003854200000000, -0.0000060100000000, -0.0002281900000000 ] - [ 0.0005766000000000, 0.0000117800000000, 0.0002929800000000 ] - [ 0.0047105100000000, -0.0077529300000000, -0.0073557900000000 ] - [ 0.0005648600000000, 0.0000000000000000, 0.0002814200000000 ] - [ 0.0003770900000000, 0.0000000000000000, 0.0001386700000000 ] - [ 0.0005766000000000, -0.0000117800000000, 0.0002929800000000 ] - [ 0.0047105100000000, 0.0077529300000000, -0.0073557900000000 ] - [ -0.0025720200000000, 0.0000000000000000, 0.0000299400000000 ] - [ -0.0003994500000000, 0.0000000000000000, -0.0005681500000000 ] - [ -0.0021112700000000, -0.0010450500000000, -0.0006022900000000 ] - [ -0.0004003800000000, -0.0000360900000000, -0.0006299700000000 ] - [ -0.0021112700000000, 0.0010450500000000, -0.0006022900000000 ] - [ -0.0004003800000000, 0.0000360900000000, -0.0006299700000000 ] - [ 0.0007253900000000, -0.0000289200000000, 0.0009579300000000 ] - [ 0.0016018100000000, -0.0006818100000000, 0.0010882700000000 ] - [ 0.0006490000000000, 0.0000000000000000, 0.0010318000000000 ] - [ 0.0008617400000000, 0.0000000000000000, 0.0007258100000000 ] - [ 0.0007253900000000, 0.0000289200000000, 0.0009579300000000 ] - [ 0.0016018100000000, 0.0006818100000000, 0.0010882700000000 ] - [ 0.0027129700000000, 0.0000000000000000, 0.0017285500000000 ] - [ 0.0032220300000000, 0.0000000000000000, -0.0004187300000000 ] - [ 0.0027112500000000, 0.0000082500000000, 0.0017684600000000 ] - [ 0.0032060400000000, -0.0002744500000000, 0.0011716200000000 ] - [ 0.0027112500000000, -0.0000082500000000, 0.0017684600000000 ] - [ 0.0032060400000000, 0.0002744500000000, 0.0011716200000000 ] - [ 0.0018944500000000, 0.0053112500000000, -0.0008280600000000 ] - [ -0.0026275600000000, 0.0000356100000000, -0.0016702700000000 ] - [ -0.0027921100000000, 0.0000000000000000, -0.0014735600000000 ] - [ -0.0025949000000000, 0.0000000000000000, -0.0016779300000000 ] - [ 0.0018944500000000, -0.0053112500000000, -0.0008280600000000 ] - [ -0.0026275600000000, -0.0000356100000000, -0.0016702700000000 ] - [ 0.0016763800000000, 0.0000000000000000, 0.0018996500000000 ] - [ 0.0011941900000000, 0.0000000000000000, 0.0018872800000000 ] - [ 0.0013296700000000, 0.0000223600000000, 0.0019044200000000 ] - [ 0.0011925100000000, 0.0001454200000000, 0.0019439800000000 ] - [ 0.0013296700000000, -0.0000223600000000, 0.0019044200000000 ] - [ 0.0011925100000000, -0.0001454200000000, 0.0019439800000000 ] - [ -0.0008896100000000, 0.0000934100000000, -0.0026607000000000 ] - [ -0.0014900400000000, 0.0000394400000000, -0.0020656500000000 ] - [ -0.0012564800000000, 0.0000000000000000, -0.0024182700000000 ] - [ -0.0013622900000000, 0.0000000000000000, -0.0020049900000000 ] - [ -0.0008896100000000, -0.0000934100000000, -0.0026607000000000 ] - [ -0.0014900400000000, -0.0000394400000000, -0.0020656500000000 ]- atom: 85 displacement: [ 0.0099999760773639, 0.0000000000000000, -0.0000218735491084 ] forces: - [ 0.0115844700000000, 0.0000000000000000, -0.0055048900000000 ] - [ 0.0000676700000000, 0.0000000000000000, 0.0004333200000000 ] - [ 0.0032823900000000, -0.0006707700000000, 0.0016797600000000 ] - [ 0.0002477800000000, 0.0000579100000000, 0.0003516000000000 ] - [ 0.0032823900000000, 0.0006707700000000, 0.0016797600000000 ] - [ 0.0002477800000000, -0.0000579100000000, 0.0003516000000000 ] - [ 0.0078196300000000, 0.0041334600000000, 0.0036442500000000 ] - [ -0.0017285300000000, 0.0000413700000000, -0.0007448700000000 ] - [ 0.0000798000000000, 0.0000000000000000, 0.0000457700000000 ] - [ -0.0016761500000000, 0.0000000000000000, -0.0007704000000000 ] - [ 0.0078196300000000, -0.0041334600000000, 0.0036442500000000 ] - [ -0.0017285300000000, -0.0000413700000000, -0.0007448700000000 ] - [ 0.0062612800000000, 0.0012202100000000, 0.0003750700000000 ] - [ -0.0015603300000000, -0.0000280100000000, 0.0003744600000000 ] - [ 0.0011906700000000, 0.0000000000000000, 0.0019275500000000 ] - [ -0.0015177100000000, 0.0000000000000000, 0.0003678600000000 ] - [ 0.0062612800000000, -0.0012202100000000, 0.0003750700000000 ] - [ -0.0015603300000000, 0.0000280100000000, 0.0003744600000000 ] - [ 0.0032892300000000, 0.0000000000000000, -0.0006531900000000 ] - [ 0.0016018000000000, 0.0000000000000000, 0.0008209200000000 ] - [ 0.0026024600000000, 0.0004187200000000, 0.0001382800000000 ] - [ 0.0016590400000000, -0.0000480900000000, 0.0008282100000000 ] - [ 0.0026024600000000, -0.0004187200000000, 0.0001382800000000 ] - [ 0.0016590400000000, 0.0000480900000000, 0.0008282100000000 ] - [ -0.0031326800000000, -0.0005921400000000, -0.0020745900000000 ] - [ -0.0023806900000000, 0.0000439400000000, -0.0007347200000000 ] - [ -0.0026471400000000, 0.0000000000000000, -0.0018193800000000 ] - [ -0.0021879900000000, 0.0000000000000000, -0.0011630100000000 ] - [ -0.0031326800000000, 0.0005921400000000, -0.0020745900000000 ] - [ -0.0023806900000000, -0.0000439400000000, -0.0007347200000000 ] - [ 0.0017533500000000, 0.0000000000000000, 0.0032062000000000 ] - [ -0.0006070900000000, 0.0000000000000000, 0.0016189500000000 ] - [ 0.0016148500000000, 0.0004564100000000, 0.0029020300000000 ] - [ -0.0005224600000000, 0.0000211400000000, 0.0016316200000000 ] - [ 0.0016148500000000, -0.0004564100000000, 0.0029020300000000 ] - [ -0.0005224600000000, -0.0000211400000000, 0.0016316200000000 ] - [ -0.0000673900000000, -0.0002978300000000, -0.0017984200000000 ] - [ -0.0008004600000000, 0.0002340200000000, -0.0023684700000000 ] - [ 0.0001086400000000, 0.0000000000000000, -0.0018084600000000 ] - [ -0.0008430400000000, 0.0000000000000000, -0.0022186800000000 ] - [ -0.0000673900000000, 0.0002978300000000, -0.0017984200000000 ] - [ -0.0008004600000000, -0.0002340200000000, -0.0023684700000000 ] - [ -0.0009045000000000, 0.0000000000000000, -0.0004206500000000 ] - [ -0.0012555100000000, 0.0000000000000000, -0.0000252200000000 ] - [ -0.0001895900000000, -0.0009636100000000, -0.0007043200000000 ] - [ -0.0003700600000000, 0.0002676700000000, -0.0006825700000000 ] - [ -0.0001895900000000, 0.0009636100000000, -0.0007043200000000 ] - [ -0.0003700600000000, -0.0002676700000000, -0.0006825700000000 ] - [ 0.0010130200000000, 0.0000000000000000, 0.0008515800000000 ] - [ 0.0023633900000000, 0.0000000000000000, 0.0010899800000000 ] - [ 0.0011297800000000, -0.0001633700000000, 0.0008343200000000 ] - [ 0.0022418900000000, 0.0000624700000000, 0.0010236900000000 ] - [ 0.0011297800000000, 0.0001633700000000, 0.0008343200000000 ] - [ 0.0022418900000000, -0.0000624700000000, 0.0010236900000000 ] - [ -0.0013071400000000, 0.0000817100000000, -0.0004015100000000 ] - [ -0.0013720300000000, -0.0001377300000000, -0.0004952800000000 ] - [ -0.0013562300000000, 0.0000000000000000, -0.0004772300000000 ] - [ -0.0013962200000000, 0.0000000000000000, -0.0003318600000000 ] - [ -0.0013071400000000, -0.0000817100000000, -0.0004015100000000 ] - [ -0.0013720300000000, 0.0001377300000000, -0.0004952800000000 ] - [ 0.0006252700000000, 0.0000000000000000, 0.0001826600000000 ] - [ 0.0010970900000000, 0.0000000000000000, 0.0012211700000000 ] - [ 0.0000314800000000, 0.0003083700000000, 0.0002282200000000 ] - [ 0.0005149500000000, -0.0000051600000000, 0.0008473100000000 ] - [ 0.0000314800000000, -0.0003083700000000, 0.0002282200000000 ] - [ 0.0005149500000000, 0.0000051600000000, 0.0008473100000000 ] - [ -0.0000527300000000, -0.0032356900000000, -0.0057982300000000 ] - [ 0.0002760400000000, -0.0000014100000000, -0.0003680900000000 ] - [ -0.0006273800000000, 0.0000000000000000, -0.0008660800000000 ] - [ 0.0002492600000000, 0.0000000000000000, -0.0003779800000000 ] - [ -0.0000527300000000, 0.0032356900000000, -0.0057982300000000 ] - [ 0.0002760400000000, 0.0000014100000000, -0.0003680900000000 ] - [ 0.0048547900000000, 0.0000000000000000, 0.0036168800000000 ] - [ 0.0000930400000000, 0.0000000000000000, -0.0002589000000000 ] - [ 0.0005659600000000, -0.0030501500000000, 0.0017018700000000 ] - [ -0.0000341300000000, 0.0000202300000000, -0.0003004400000000 ] - [ 0.0005659600000000, 0.0030501500000000, 0.0017018700000000 ] - [ -0.0000341300000000, -0.0000202300000000, -0.0003004400000000 ] - [ 0.0011230400000000, 0.0001575900000000, 0.0003266800000000 ] - [ 0.0015394700000000, -0.0002405800000000, -0.0004548200000000 ] - [ 0.0010724300000000, 0.0000000000000000, 0.0003914600000000 ] - [ 0.0005967000000000, 0.0000000000000000, -0.0000021400000000 ] - [ 0.0011230400000000, -0.0001575900000000, 0.0003266800000000 ] - [ 0.0015394700000000, 0.0002405800000000, -0.0004548200000000 ] - [ -0.0567454900000000, 0.0000000000000000, -0.0021826400000000 ] - [ -0.0000736100000000, 0.0000000000000000, -0.0004939600000000 ] - [ -0.0028203600000000, 0.0000814800000000, -0.0018085600000000 ] - [ -0.0000962600000000, -0.0000048100000000, -0.0004725900000000 ] - [ -0.0028203600000000, -0.0000814800000000, -0.0018085600000000 ] - [ -0.0000962600000000, 0.0000048100000000, -0.0004725900000000 ] - [ 0.0041906500000000, 0.0039743300000000, -0.0004251900000000 ] - [ 0.0011355100000000, -0.0001040600000000, 0.0008493200000000 ] - [ -0.0000125600000000, 0.0000000000000000, 0.0003942700000000 ] - [ 0.0010545900000000, 0.0000000000000000, 0.0008261200000000 ] - [ 0.0041906500000000, -0.0039743300000000, -0.0004251900000000 ] - [ 0.0011355100000000, 0.0001040600000000, 0.0008493200000000 ] - [ 0.0046458400000000, 0.0000000000000000, 0.0026791600000000 ] - [ 0.0032307100000000, 0.0000000000000000, 0.0016318700000000 ] - [ 0.0036518700000000, 0.0010628500000000, 0.0020155600000000 ] - [ 0.0031436100000000, -0.0000996500000000, 0.0017763800000000 ] - [ 0.0036518700000000, -0.0010628500000000, 0.0020155600000000 ] - [ 0.0031436100000000, 0.0000996500000000, 0.0017763800000000 ] - [ -0.0047840900000000, -0.0013893700000000, 0.0000811100000000 ] - [ -0.0022003900000000, 0.0000009800000000, -0.0015197300000000 ] - [ -0.0037577400000000, 0.0000000000000000, -0.0020352900000000 ] - [ -0.0022249500000000, 0.0000000000000000, -0.0015190900000000 ] - [ -0.0047840900000000, 0.0013893700000000, 0.0000811100000000 ] - [ -0.0022003900000000, -0.0000009800000000, -0.0015197300000000 ] - [ 0.0004842600000000, 0.0000000000000000, 0.0032196900000000 ] - [ 0.0016864600000000, 0.0000000000000000, 0.0023429400000000 ] - [ 0.0004167700000000, 0.0010852800000000, 0.0030476100000000 ] - [ 0.0016511600000000, -0.0000333500000000, 0.0023205000000000 ] - [ 0.0004167700000000, -0.0010852800000000, 0.0030476100000000 ] - [ 0.0016511600000000, 0.0000333500000000, 0.0023205000000000 ] - [ -0.0018127900000000, 0.0009165000000000, -0.0035370000000000 ] - [ -0.0008859700000000, -0.0000512100000000, -0.0018743600000000 ] - [ -0.0019286200000000, 0.0000000000000000, -0.0028346400000000 ] - [ -0.0009436600000000, 0.0000000000000000, -0.0019328700000000 ] - [ -0.0018127900000000, -0.0009165000000000, -0.0035370000000000 ] - [ -0.0008859700000000, 0.0000512100000000, -0.0018743600000000 ]- atom: 85 displacement: [ -0.0099999760773639, 0.0000000000000000, 0.0000218735491084 ] forces: - [ -0.0094382000000000, 0.0000000000000000, 0.0064123800000000 ] - [ 0.0019809300000000, 0.0000000000000000, 0.0007558100000000 ] - [ -0.0012365100000000, 0.0006728600000000, -0.0004992100000000 ] - [ 0.0018018100000000, -0.0000572800000000, 0.0008380700000000 ] - [ -0.0012365100000000, -0.0006728600000000, -0.0004992100000000 ] - [ 0.0018018100000000, 0.0000572800000000, 0.0008380700000000 ] - [ -0.0098018700000000, -0.0039647500000000, -0.0046986400000000 ] - [ -0.0003153700000000, -0.0000406200000000, -0.0004429300000000 ] - [ -0.0021272700000000, 0.0000000000000000, -0.0012276100000000 ] - [ -0.0003675500000000, 0.0000000000000000, -0.0004188200000000 ] - [ -0.0098018700000000, 0.0039647500000000, -0.0046986400000000 ] - [ -0.0003153700000000, 0.0000406200000000, -0.0004429300000000 ] - [ -0.0079538300000000, -0.0009108100000000, 0.0007028800000000 ] - [ 0.0001900900000000, 0.0000294600000000, 0.0007817200000000 ] - [ -0.0025920800000000, 0.0000000000000000, -0.0007809400000000 ] - [ 0.0001476900000000, 0.0000000000000000, 0.0007899900000000 ] - [ -0.0079538300000000, 0.0009108100000000, 0.0007028800000000 ] - [ 0.0001900900000000, -0.0000294600000000, 0.0007817200000000 ] - [ 0.0009424300000000, 0.0000000000000000, 0.0029848200000000 ] - [ 0.0026472300000000, 0.0000000000000000, 0.0015143800000000 ] - [ 0.0016390600000000, -0.0004186300000000, 0.0021955000000000 ] - [ 0.0025897600000000, 0.0000470400000000, 0.0015043000000000 ] - [ 0.0016390600000000, 0.0004186300000000, 0.0021955000000000 ] - [ 0.0025897600000000, -0.0000470400000000, 0.0015043000000000 ] - [ -0.0011153500000000, 0.0005856700000000, -0.0002572500000000 ] - [ -0.0018667700000000, -0.0000478000000000, -0.0015967600000000 ] - [ -0.0015946000000000, 0.0000000000000000, -0.0005059400000000 ] - [ -0.0020556900000000, 0.0000000000000000, -0.0011649100000000 ] - [ -0.0011153500000000, -0.0005856700000000, -0.0002572500000000 ] - [ -0.0018667700000000, 0.0000478000000000, -0.0015967600000000 ] - [ -0.0012268800000000, 0.0000000000000000, 0.0005014400000000 ] - [ 0.0011568400000000, 0.0000000000000000, 0.0020808500000000 ] - [ -0.0010779500000000, -0.0004502300000000, 0.0007995900000000 ] - [ 0.0010677800000000, -0.0000258500000000, 0.0020671500000000 ] - [ -0.0010779500000000, 0.0004502300000000, 0.0007995900000000 ] - [ 0.0010677800000000, 0.0000258500000000, 0.0020671500000000 ] - [ -0.0004767100000000, 0.0003063800000000, -0.0018951200000000 ] - [ 0.0002581700000000, -0.0002352300000000, -0.0013248400000000 ] - [ -0.0006549500000000, 0.0000000000000000, -0.0018869200000000 ] - [ 0.0003071700000000, 0.0000000000000000, -0.0014751500000000 ] - [ -0.0004767100000000, -0.0003063800000000, -0.0018951200000000 ] - [ 0.0002581700000000, 0.0002352300000000, -0.0013248400000000 ] - [ 0.0022899100000000, 0.0000000000000000, -0.0007295900000000 ] - [ 0.0026512600000000, 0.0000000000000000, -0.0011325200000000 ] - [ 0.0015649400000000, 0.0009669000000000, -0.0004562200000000 ] - [ 0.0017622100000000, -0.0002723300000000, -0.0004742500000000 ] - [ 0.0015649400000000, -0.0009669000000000, -0.0004562200000000 ] - [ 0.0017622100000000, 0.0002723300000000, -0.0004742500000000 ] - [ 0.0020521300000000, 0.0000000000000000, 0.0005037900000000 ] - [ 0.0006981800000000, 0.0000000000000000, 0.0002604200000000 ] - [ 0.0019321700000000, 0.0001624000000000, 0.0005223900000000 ] - [ 0.0008170500000000, -0.0000626200000000, 0.0003311000000000 ] - [ 0.0019321700000000, -0.0001624000000000, 0.0005223900000000 ] - [ 0.0008170500000000, 0.0000626200000000, 0.0003311000000000 ] - [ -0.0017587200000000, -0.0000817100000000, -0.0009512300000000 ] - [ -0.0016874200000000, 0.0001384200000000, -0.0008644400000000 ] - [ -0.0017065800000000, 0.0000000000000000, -0.0008746800000000 ] - [ -0.0016618900000000, 0.0000000000000000, -0.0010277500000000 ] - [ -0.0017587200000000, 0.0000817100000000, -0.0009512300000000 ] - [ -0.0016874200000000, -0.0001384200000000, -0.0008644400000000 ] - [ -0.0004384100000000, 0.0000000000000000, 0.0009447600000000 ] - [ -0.0009018000000000, 0.0000000000000000, -0.0000999500000000 ] - [ 0.0001617600000000, -0.0003110500000000, 0.0008975500000000 ] - [ -0.0003155800000000, 0.0000014200000000, 0.0002771400000000 ] - [ 0.0001617600000000, 0.0003110500000000, 0.0008975500000000 ] - [ -0.0003155800000000, -0.0000014200000000, 0.0002771400000000 ] - [ -0.0001325900000000, 0.0032524800000000, 0.0046958900000000 ] - [ -0.0004748300000000, 0.0000052100000000, -0.0007613800000000 ] - [ 0.0004320700000000, 0.0000000000000000, -0.0002570100000000 ] - [ -0.0004453300000000, 0.0000000000000000, -0.0007511000000000 ] - [ -0.0001325900000000, -0.0032524800000000, 0.0046958900000000 ] - [ -0.0004748300000000, -0.0000052100000000, -0.0007613800000000 ] - [ -0.0059140300000000, 0.0000000000000000, -0.0041792600000000 ] - [ -0.0010828900000000, 0.0000000000000000, -0.0002540400000000 ] - [ -0.0015682100000000, 0.0030692600000000, -0.0022277600000000 ] - [ -0.0009504700000000, -0.0000216700000000, -0.0002117100000000 ] - [ -0.0015682100000000, -0.0030692600000000, -0.0022277600000000 ] - [ -0.0009504700000000, 0.0000216700000000, -0.0002117100000000 ] - [ -0.0001422900000000, -0.0001596800000000, 0.0001851800000000 ] - [ -0.0005558200000000, 0.0002390100000000, 0.0009693800000000 ] - [ -0.0000885000000000, 0.0000000000000000, 0.0001204000000000 ] - [ 0.0003933500000000, 0.0000000000000000, 0.0005120100000000 ] - [ -0.0001422900000000, 0.0001596800000000, 0.0001851800000000 ] - [ -0.0005558200000000, -0.0002390100000000, 0.0009693800000000 ] - [ 0.0560004800000000, 0.0000000000000000, 0.0010541900000000 ] - [ -0.0010942900000000, 0.0000000000000000, -0.0008299800000000 ] - [ 0.0016661800000000, -0.0000951200000000, 0.0004879700000000 ] - [ -0.0010698400000000, 0.0000056300000000, -0.0008510800000000 ] - [ 0.0016661800000000, 0.0000951200000000, 0.0004879700000000 ] - [ -0.0010698400000000, -0.0000056300000000, -0.0008510800000000 ] - [ -0.0029987700000000, -0.0039416800000000, 0.0017414600000000 ] - [ 0.0000280900000000, 0.0001068400000000, 0.0004733700000000 ] - [ 0.0011773800000000, 0.0000000000000000, 0.0009287500000000 ] - [ 0.0001045300000000, 0.0000000000000000, 0.0004949000000000 ] - [ -0.0029987700000000, 0.0039416800000000, 0.0017414600000000 ] - [ 0.0000280900000000, -0.0001068400000000, 0.0004733700000000 ] - [ 0.0008477000000000, 0.0000000000000000, 0.0007812700000000 ] - [ 0.0022512300000000, 0.0000000000000000, 0.0018245600000000 ] - [ 0.0018193400000000, -0.0010702800000000, 0.0014282200000000 ] - [ 0.0023363900000000, 0.0000974900000000, 0.0016753000000000 ] - [ 0.0018193400000000, 0.0010702800000000, 0.0014282200000000 ] - [ 0.0023363900000000, -0.0000974900000000, 0.0016753000000000 ] - [ -0.0006829400000000, 0.0013942800000000, -0.0035281100000000 ] - [ -0.0032860400000000, -0.0000014400000000, -0.0019307600000000 ] - [ -0.0017186100000000, 0.0000000000000000, -0.0014177400000000 ] - [ -0.0032581700000000, 0.0000000000000000, -0.0019343900000000 ] - [ -0.0006829400000000, -0.0013942800000000, -0.0035281100000000 ] - [ -0.0032860400000000, 0.0000014400000000, -0.0019307600000000 ] - [ 0.0021400100000000, 0.0000000000000000, 0.0010140200000000 ] - [ 0.0009407100000000, 0.0000000000000000, 0.0018988600000000 ] - [ 0.0022091900000000, -0.0010836000000000, 0.0012033400000000 ] - [ 0.0009754700000000, 0.0000312200000000, 0.0019236100000000 ] - [ 0.0022091900000000, 0.0010836000000000, 0.0012033400000000 ] - [ 0.0009754700000000, -0.0000312200000000, 0.0019236100000000 ] - [ -0.0008136400000000, -0.0009164900000000, -0.0007078400000000 ] - [ -0.0017410800000000, 0.0000512500000000, -0.0023739000000000 ] - [ -0.0007005500000000, 0.0000000000000000, -0.0014103800000000 ] - [ -0.0016866700000000, 0.0000000000000000, -0.0023143000000000 ] - [ -0.0008136400000000, 0.0009164900000000, -0.0007078400000000 ] - [ -0.0017410800000000, -0.0000512500000000, -0.0023739000000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010160600000000, 0.0056437100000000, 0.0005878500000000 ] - [ 0.0010135400000000, 0.0001183500000000, 0.0005830400000000 ] - [ 0.0004267000000000, -0.0012926100000000, 0.0016020700000000 ] - [ 0.0010893600000000, -0.0000600100000000, 0.0005630700000000 ] - [ 0.0016038600000000, -0.0013093800000000, -0.0004325000000000 ] - [ 0.0009391300000000, -0.0000629500000000, 0.0006008600000000 ] - [ 0.0023386400000000, 0.0097645300000000, 0.0041494400000000 ] - [ -0.0009821200000000, 0.0000637900000000, -0.0005873800000000 ] - [ -0.0010212500000000, -0.0037561000000000, -0.0005895400000000 ] - [ -0.0010152400000000, -0.0001265000000000, -0.0005817400000000 ] - [ -0.0041280200000000, 0.0094597200000000, -0.0049811500000000 ] - [ -0.0010502400000000, 0.0000620400000000, -0.0005770300000000 ] - [ -0.0020390700000000, 0.0065231300000000, 0.0025712600000000 ] - [ -0.0007912100000000, 0.0000474100000000, 0.0006079200000000 ] - [ -0.0006827400000000, -0.0034830300000000, 0.0005663400000000 ] - [ -0.0006922000000000, -0.0000824500000000, 0.0005628700000000 ] - [ 0.0003041700000000, 0.0062220900000000, -0.0014999500000000 ] - [ -0.0005919000000000, 0.0000472800000000, 0.0005213100000000 ] - [ 0.0021094000000000, 0.0019940000000000, 0.0011535800000000 ] - [ 0.0021142600000000, 0.0001703600000000, 0.0011551500000000 ] - [ 0.0025618600000000, -0.0011520000000000, 0.0021812900000000 ] - [ 0.0020432900000000, -0.0000851700000000, 0.0011548700000000 ] - [ 0.0016596900000000, -0.0011637300000000, 0.0001271400000000 ] - [ 0.0021834500000000, -0.0000868000000000, 0.0011580500000000 ] - [ -0.0024735900000000, 0.0005519700000000, -0.0014256900000000 ] - [ -0.0015801100000000, 0.0003540900000000, -0.0014347300000000 ] - [ -0.0021143300000000, -0.0011664300000000, -0.0011571400000000 ] - [ -0.0021155200000000, -0.0007439000000000, -0.0011581000000000 ] - [ -0.0017534600000000, 0.0005462800000000, -0.0008855300000000 ] - [ -0.0026503100000000, 0.0003513200000000, -0.0008836700000000 ] - [ 0.0002765300000000, 0.0039950500000000, 0.0018563500000000 ] - [ 0.0002743700000000, 0.0000937600000000, 0.0018582600000000 ] - [ 0.0005553000000000, -0.0017303000000000, 0.0007309900000000 ] - [ 0.0002649800000000, -0.0000418000000000, 0.0018636800000000 ] - [ 0.0000057900000000, -0.0017386200000000, 0.0029778900000000 ] - [ 0.0002901200000000, -0.0000486800000000, 0.0018538700000000 ] - [ -0.0004950800000000, 0.0007295700000000, -0.0020973200000000 ] - [ -0.0001231100000000, 0.0001323000000000, -0.0018184400000000 ] - [ -0.0002751100000000, -0.0015380800000000, -0.0018622400000000 ] - [ -0.0002788600000000, -0.0002299200000000, -0.0018571900000000 ] - [ -0.0000531800000000, 0.0007226200000000, -0.0016252800000000 ] - [ -0.0004333400000000, 0.0001311100000000, -0.0018940800000000 ] - [ 0.0006949500000000, 0.0018941100000000, -0.0005639900000000 ] - [ 0.0006901400000000, 0.0008023500000000, -0.0005651400000000 ] - [ -0.0001376200000000, -0.0010417700000000, -0.0006503900000000 ] - [ 0.0013750000000000, -0.0004440800000000, -0.0006593100000000 ] - [ 0.0015265100000000, -0.0010464900000000, -0.0004758500000000 ] - [ 0.0000070100000000, -0.0004441100000000, -0.0004693300000000 ] - [ 0.0015335100000000, -0.0006051000000000, 0.0006843100000000 ] - [ 0.0015337100000000, -0.0001683400000000, 0.0006825000000000 ] - [ 0.0011039700000000, 0.0004332300000000, 0.0004961000000000 ] - [ 0.0015860400000000, 0.0001153700000000, 0.0007147200000000 ] - [ 0.0019625700000000, 0.0004338200000000, 0.0008726500000000 ] - [ 0.0014822900000000, 0.0001161700000000, 0.0006514600000000 ] - [ -0.0014300600000000, -0.0001096400000000, -0.0006209000000000 ] - [ -0.0018009600000000, -0.0002605400000000, -0.0007206300000000 ] - [ -0.0015340600000000, 0.0001971300000000, -0.0006820300000000 ] - [ -0.0015324300000000, 0.0006968600000000, -0.0006817600000000 ] - [ -0.0016392400000000, -0.0001091800000000, -0.0007443200000000 ] - [ -0.0012651500000000, -0.0002607600000000, -0.0006432500000000 ] - [ 0.0001037500000000, -0.0005730800000000, 0.0005513900000000 ] - [ 0.0001095300000000, -0.0000795800000000, 0.0005479200000000 ] - [ 0.0003490900000000, 0.0004171100000000, 0.0001628200000000 ] - [ -0.0000682100000000, 0.0000195100000000, 0.0003834000000000 ] - [ -0.0001309800000000, 0.0004189000000000, 0.0009372900000000 ] - [ 0.0002870200000000, 0.0000193900000000, 0.0007126700000000 ] - [ -0.0036225900000000, 0.0019043700000000, 0.0055591300000000 ] - [ -0.0000563100000000, -0.0000131100000000, -0.0005119500000000 ] - [ -0.0001106500000000, 0.0010405700000000, -0.0005449400000000 ] - [ -0.0001098100000000, 0.0000278300000000, -0.0005482200000000 ] - [ 0.0033857800000000, 0.0019085500000000, -0.0066304500000000 ] - [ -0.0001637200000000, -0.0000144900000000, -0.0005868600000000 ] - [ -0.0004835600000000, -0.0023172300000000, -0.0002566200000000 ] - [ -0.0004935300000000, -0.0000814600000000, -0.0002561000000000 ] - [ -0.0017374100000000, 0.0030353400000000, -0.0017811500000000 ] - [ -0.0003421900000000, 0.0000478800000000, -0.0002437900000000 ] - [ 0.0007536600000000, 0.0030330000000000, 0.0012636100000000 ] - [ -0.0006421100000000, 0.0000478600000000, -0.0002692700000000 ] - [ 0.0007066700000000, -0.0002364100000000, 0.0003586800000000 ] - [ -0.0008556000000000, -0.0002399100000000, 0.0005249600000000 ] - [ 0.0004928100000000, 0.0007336700000000, 0.0002554400000000 ] - [ 0.0004895500000000, 0.0004581600000000, 0.0002563100000000 ] - [ 0.0002778400000000, -0.0002351500000000, 0.0001531200000000 ] - [ 0.0018312700000000, -0.0002394700000000, -0.0000080000000000 ] - [ -0.0004707700000000, -0.0590972700000000, -0.0009615500000000 ] - [ -0.0005977200000000, -0.0000529800000000, -0.0006734800000000 ] - [ -0.0006867800000000, 0.0056800700000000, -0.0010228200000000 ] - [ -0.0005918400000000, 0.0000273900000000, -0.0006574400000000 ] - [ -0.0005096300000000, 0.0056206100000000, -0.0003310700000000 ] - [ -0.0006028200000000, 0.0000263000000000, -0.0006890800000000 ] - [ 0.0045603500000000, 0.0013816100000000, -0.0006804800000000 ] - [ 0.0004921300000000, -0.0000763500000000, 0.0006226100000000 ] - [ 0.0005986800000000, 0.0010432600000000, 0.0006711300000000 ] - [ 0.0005968900000000, 0.0001878400000000, 0.0006729400000000 ] - [ -0.0033488400000000, 0.0013931600000000, 0.0020176300000000 ] - [ 0.0007025400000000, -0.0000767600000000, 0.0007247300000000 ] - [ 0.0027597700000000, -0.0021087200000000, 0.0017171500000000 ] - [ 0.0027608400000000, -0.0003487500000000, 0.0017197900000000 ] - [ 0.0046449400000000, 0.0019468300000000, 0.0020931300000000 ] - [ 0.0026402900000000, 0.0001807000000000, 0.0017754400000000 ] - [ 0.0008828400000000, 0.0019432400000000, 0.0013435700000000 ] - [ 0.0028793300000000, 0.0001808100000000, 0.0016661600000000 ] - [ -0.0035877800000000, 0.0015015800000000, -0.0061039800000000 ] - [ -0.0027573100000000, -0.0000346900000000, -0.0017346100000000 ] - [ -0.0027603800000000, 0.0010725400000000, -0.0017207800000000 ] - [ -0.0027594600000000, 0.0000707600000000, -0.0017207800000000 ] - [ -0.0019298200000000, 0.0015141600000000, 0.0026625900000000 ] - [ -0.0027636600000000, -0.0000345200000000, -0.0017048900000000 ] - [ 0.0012996100000000, -0.0023021900000000, 0.0021342800000000 ] - [ 0.0013018200000000, -0.0000960400000000, 0.0021343100000000 ] - [ 0.0009636100000000, 0.0017533700000000, 0.0038612600000000 ] - [ 0.0012891200000000, 0.0000469200000000, 0.0021332400000000 ] - [ 0.0016363600000000, 0.0017506800000000, 0.0004175400000000 ] - [ 0.0013154500000000, 0.0000471600000000, 0.0021354300000000 ] - [ -0.0012112800000000, -0.0007519000000000, -0.0017534500000000 ] - [ -0.0013454100000000, -0.0000448700000000, -0.0021531700000000 ] - [ -0.0013025900000000, 0.0012516800000000, -0.0021336300000000 ] - [ -0.0013022600000000, 0.0000856700000000, -0.0021343700000000 ] - [ -0.0013954100000000, -0.0007430200000000, -0.0025040700000000 ] - [ -0.0012577800000000, -0.0000456200000000, -0.0021160300000000 ]- atom: 85 displacement: [ -0.0032259099543045, 0.0000000000000000, 0.0094653845651785 ] forces: - [ -0.0063560900000000, 0.0000000000000000, 0.0170230800000000 ] - [ 0.0009224800000000, 0.0000000000000000, 0.0006155200000000 ] - [ 0.0015935100000000, 0.0011173000000000, 0.0007226600000000 ] - [ 0.0009497600000000, 0.0000115000000000, 0.0005983000000000 ] - [ 0.0015935100000000, -0.0011173000000000, 0.0007226600000000 ] - [ 0.0009497600000000, -0.0000115000000000, 0.0005983000000000 ] - [ 0.0001127700000000, 0.0032108700000000, 0.0064361200000000 ] - [ -0.0010738600000000, 0.0000058200000000, -0.0006806700000000 ] - [ -0.0010754300000000, 0.0000000000000000, -0.0003538000000000 ] - [ -0.0010853000000000, 0.0000000000000000, -0.0006839700000000 ] - [ 0.0001127700000000, -0.0032108700000000, 0.0064361200000000 ] - [ -0.0010738600000000, -0.0000058200000000, -0.0006806700000000 ] - [ -0.0026355500000000, 0.0008231300000000, 0.0049069100000000 ] - [ -0.0007026900000000, 0.0000918600000000, 0.0005750900000000 ] - [ -0.0004428600000000, 0.0000000000000000, 0.0008982300000000 ] - [ -0.0007567500000000, 0.0000000000000000, 0.0005616000000000 ] - [ -0.0026355500000000, -0.0008231300000000, 0.0049069100000000 ] - [ -0.0007026900000000, -0.0000918600000000, 0.0005750900000000 ] - [ 0.0011676000000000, 0.0000000000000000, 0.0004431900000000 ] - [ 0.0022141100000000, 0.0000000000000000, 0.0009340500000000 ] - [ 0.0013120900000000, 0.0012065700000000, 0.0005492600000000 ] - [ 0.0020750100000000, 0.0000246000000000, 0.0010115500000000 ] - [ 0.0013120900000000, -0.0012065700000000, 0.0005492600000000 ] - [ 0.0020750100000000, -0.0000246000000000, 0.0010115500000000 ] - [ -0.0025489600000000, -0.0000438400000000, -0.0013351100000000 ] - [ -0.0017453200000000, -0.0000100500000000, -0.0014092100000000 ] - [ -0.0024415800000000, 0.0000000000000000, -0.0013500900000000 ] - [ -0.0019600600000000, 0.0000000000000000, -0.0013792300000000 ] - [ -0.0025489600000000, 0.0000438400000000, -0.0013351100000000 ] - [ -0.0017453200000000, 0.0000100500000000, -0.0014092100000000 ] - [ 0.0012201800000000, 0.0000000000000000, -0.0002435100000000 ] - [ 0.0000769300000000, 0.0000000000000000, 0.0018766700000000 ] - [ 0.0005570100000000, -0.0004521900000000, 0.0003728700000000 ] - [ 0.0000686700000000, 0.0000205900000000, 0.0018695900000000 ] - [ 0.0005570100000000, 0.0004521900000000, 0.0003728700000000 ] - [ 0.0000686700000000, -0.0000205900000000, 0.0018695900000000 ] - [ 0.0001278000000000, -0.0001954300000000, -0.0034424400000000 ] - [ -0.0005404800000000, 0.0000658600000000, -0.0018281900000000 ] - [ -0.0003972900000000, 0.0000000000000000, -0.0023562500000000 ] - [ -0.0005238400000000, 0.0000000000000000, -0.0017815900000000 ] - [ 0.0001278000000000, 0.0001954300000000, -0.0034424400000000 ] - [ -0.0005404800000000, -0.0000658600000000, -0.0018281900000000 ] - [ 0.0011600200000000, 0.0000000000000000, 0.0001960600000000 ] - [ 0.0005876900000000, 0.0000000000000000, -0.0002642100000000 ] - [ 0.0010778300000000, 0.0005547200000000, -0.0002370500000000 ] - [ 0.0007129200000000, -0.0000491200000000, -0.0005370500000000 ] - [ 0.0010778300000000, -0.0005547200000000, -0.0002370500000000 ] - [ 0.0007129200000000, 0.0000491200000000, -0.0005370500000000 ] - [ 0.0010267200000000, 0.0000000000000000, 0.0011429500000000 ] - [ 0.0017427100000000, 0.0000000000000000, 0.0007968100000000 ] - [ 0.0010551300000000, -0.0000152100000000, 0.0012491400000000 ] - [ 0.0017659000000000, -0.0000323100000000, 0.0007995500000000 ] - [ 0.0010551300000000, 0.0000152100000000, 0.0012491400000000 ] - [ 0.0017659000000000, 0.0000323100000000, 0.0007995500000000 ] - [ -0.0015293000000000, -0.0000205900000000, -0.0004562400000000 ] - [ -0.0012300400000000, -0.0000603800000000, -0.0003968200000000 ] - [ -0.0014542300000000, 0.0000000000000000, -0.0005749600000000 ] - [ -0.0012950300000000, 0.0000000000000000, -0.0002211700000000 ] - [ -0.0015293000000000, 0.0000205900000000, -0.0004562400000000 ] - [ -0.0012300400000000, 0.0000603800000000, -0.0003968200000000 ] - [ -0.0022691300000000, 0.0000000000000000, 0.0017420400000000 ] - [ 0.0002335400000000, 0.0000000000000000, 0.0005921800000000 ] - [ -0.0000196000000000, -0.0000819300000000, 0.0010315200000000 ] - [ 0.0001167300000000, -0.0000267800000000, 0.0004982800000000 ] - [ -0.0000196000000000, 0.0000819300000000, 0.0010315200000000 ] - [ 0.0001167300000000, 0.0000267800000000, 0.0004982800000000 ] - [ -0.0040573400000000, 0.0051265900000000, 0.0049773200000000 ] - [ -0.0000599800000000, -0.0000052200000000, -0.0005775200000000 ] - [ -0.0001344100000000, 0.0000000000000000, -0.0005928200000000 ] - [ -0.0000476100000000, 0.0000000000000000, -0.0005530400000000 ] - [ -0.0040573400000000, -0.0051265900000000, 0.0049773200000000 ] - [ -0.0000599800000000, 0.0000052200000000, -0.0005775200000000 ] - [ 0.0007192800000000, 0.0000000000000000, -0.0012092400000000 ] - [ -0.0006990700000000, 0.0000000000000000, -0.0003521500000000 ] - [ -0.0005929200000000, 0.0003461100000000, -0.0008502600000000 ] - [ -0.0004820000000000, -0.0000222400000000, -0.0002180400000000 ] - [ -0.0005929200000000, -0.0003461100000000, -0.0008502600000000 ] - [ -0.0004820000000000, 0.0000222400000000, -0.0002180400000000 ] - [ 0.0004858700000000, -0.0000367600000000, 0.0000039600000000 ] - [ 0.0003398800000000, 0.0000144700000000, 0.0001150400000000 ] - [ 0.0005516400000000, 0.0000000000000000, -0.0000739100000000 ] - [ 0.0004213700000000, 0.0000000000000000, 0.0002537100000000 ] - [ 0.0004858700000000, 0.0000367600000000, 0.0000039600000000 ] - [ 0.0003398800000000, -0.0000144700000000, 0.0001150400000000 ] - [ 0.0155934600000000, 0.0000000000000000, -0.0559743300000000 ] - [ -0.0005728700000000, 0.0000000000000000, -0.0006696200000000 ] - [ -0.0009393100000000, 0.0002942400000000, -0.0015132700000000 ] - [ -0.0005457700000000, -0.0000129500000000, -0.0006491500000000 ] - [ -0.0009393100000000, -0.0002942400000000, -0.0015132700000000 ] - [ -0.0005457700000000, 0.0000129500000000, -0.0006491500000000 ] - [ -0.0016111300000000, -0.0025422000000000, -0.0012003000000000 ] - [ 0.0005700000000000, -0.0000150700000000, 0.0006765300000000 ] - [ 0.0005057600000000, 0.0000000000000000, 0.0004904900000000 ] - [ 0.0005732800000000, 0.0000000000000000, 0.0006891200000000 ] - [ -0.0016111300000000, 0.0025422000000000, -0.0012003000000000 ] - [ 0.0005700000000000, 0.0000150700000000, 0.0006765300000000 ] - [ 0.0036825600000000, 0.0000000000000000, 0.0017202100000000 ] - [ 0.0027184600000000, 0.0000000000000000, 0.0017037600000000 ] - [ 0.0039535900000000, 0.0007957200000000, 0.0017062500000000 ] - [ 0.0027396600000000, 0.0000250800000000, 0.0017760200000000 ] - [ 0.0039535900000000, -0.0007957200000000, 0.0017062500000000 ] - [ 0.0027396600000000, -0.0000250800000000, 0.0017760200000000 ] - [ -0.0004783300000000, -0.0042906800000000, 0.0022979000000000 ] - [ -0.0026832800000000, -0.0000203300000000, -0.0016509400000000 ] - [ -0.0028473300000000, 0.0000000000000000, -0.0019136800000000 ] - [ -0.0026660200000000, 0.0000000000000000, -0.0016558900000000 ] - [ -0.0004783300000000, 0.0042906800000000, 0.0022979000000000 ] - [ -0.0026832800000000, 0.0000203300000000, -0.0016509400000000 ] - [ 0.0015707500000000, 0.0000000000000000, 0.0052131100000000 ] - [ 0.0013940000000000, 0.0000000000000000, 0.0021608500000000 ] - [ 0.0011236400000000, 0.0004117400000000, 0.0029153200000000 ] - [ 0.0013916100000000, -0.0000181800000000, 0.0021617900000000 ] - [ 0.0011236400000000, -0.0004117400000000, 0.0029153200000000 ] - [ 0.0013916100000000, 0.0000181800000000, 0.0021617900000000 ] - [ -0.0016693700000000, -0.0013667100000000, -0.0000033900000000 ] - [ -0.0012024700000000, -0.0000232100000000, -0.0020994500000000 ] - [ -0.0013983700000000, 0.0000000000000000, -0.0010680300000000 ] - [ -0.0012226100000000, 0.0000000000000000, -0.0021139400000000 ] - [ -0.0016693700000000, 0.0013667100000000, -0.0000033900000000 ] - [ -0.0012024700000000, 0.0000232100000000, -0.0020994500000000 ]- atom: 85 displacement: [ 0.0032259099543045, 0.0000000000000000, -0.0094653845651785 ] forces: - [ 0.0089787200000000, 0.0000000000000000, -0.0166551000000000 ] - [ 0.0011209300000000, 0.0000000000000000, 0.0005930400000000 ] - [ 0.0004598300000000, -0.0011236900000000, 0.0004801200000000 ] - [ 0.0010940100000000, -0.0000116500000000, 0.0006101000000000 ] - [ 0.0004598300000000, 0.0011236900000000, 0.0004801200000000 ] - [ 0.0010940100000000, 0.0000116500000000, 0.0006101000000000 ] - [ -0.0020652100000000, -0.0031350700000000, -0.0076328000000000 ] - [ -0.0009743800000000, -0.0000059100000000, -0.0005293300000000 ] - [ -0.0009705000000000, 0.0000000000000000, -0.0008491900000000 ] - [ -0.0009638000000000, 0.0000000000000000, -0.0005273000000000 ] - [ -0.0020652100000000, 0.0031350700000000, -0.0076328000000000 ] - [ -0.0009743800000000, 0.0000059100000000, -0.0005293300000000 ] - [ 0.0012614500000000, -0.0007945000000000, -0.0037831900000000 ] - [ -0.0006703800000000, -0.0000933700000000, 0.0005925000000000 ] - [ -0.0009365400000000, 0.0000000000000000, 0.0002715200000000 ] - [ -0.0006175200000000, 0.0000000000000000, 0.0006013600000000 ] - [ 0.0012614500000000, 0.0007945000000000, -0.0037831900000000 ] - [ -0.0006703800000000, 0.0000933700000000, 0.0005925000000000 ] - [ 0.0030738400000000, 0.0000000000000000, 0.0018531400000000 ] - [ 0.0020133200000000, 0.0000000000000000, 0.0013805000000000 ] - [ 0.0029273800000000, -0.0012077900000000, 0.0017578300000000 ] - [ 0.0021573300000000, -0.0000288100000000, 0.0012989800000000 ] - [ 0.0029273800000000, 0.0012077900000000, 0.0017578300000000 ] - [ 0.0021573300000000, 0.0000288100000000, 0.0012989800000000 ] - [ -0.0016874000000000, 0.0000440900000000, -0.0009757100000000 ] - [ -0.0024895900000000, 0.0000123400000000, -0.0008959700000000 ] - [ -0.0017915200000000, 0.0000000000000000, -0.0009622100000000 ] - [ -0.0022700900000000, 0.0000000000000000, -0.0009236800000000 ] - [ -0.0016874000000000, -0.0000440900000000, -0.0009757100000000 ] - [ -0.0024895900000000, -0.0000123400000000, -0.0008959700000000 ] - [ -0.0006816800000000, 0.0000000000000000, 0.0039833400000000 ] - [ 0.0004426500000000, 0.0000000000000000, 0.0018308900000000 ] - [ -0.0000269500000000, 0.0004591900000000, 0.0033466500000000 ] - [ 0.0004580600000000, -0.0000204700000000, 0.0018325100000000 ] - [ -0.0000269500000000, -0.0004591900000000, 0.0033466500000000 ] - [ 0.0004580600000000, 0.0000204700000000, 0.0018325100000000 ] - [ -0.0006590800000000, 0.0001755800000000, -0.0002583900000000 ] - [ 0.0000064500000000, -0.0000593100000000, -0.0018804400000000 ] - [ -0.0001286600000000, 0.0000000000000000, -0.0013453700000000 ] - [ -0.0000030700000000, 0.0000000000000000, -0.0019319800000000 ] - [ -0.0006590800000000, -0.0001755800000000, -0.0002583900000000 ] - [ 0.0000064500000000, 0.0000593100000000, -0.0018804400000000 ] - [ 0.0002108800000000, 0.0000000000000000, -0.0013749500000000 ] - [ 0.0007852600000000, 0.0000000000000000, -0.0008940100000000 ] - [ 0.0002932700000000, -0.0005622400000000, -0.0009349700000000 ] - [ 0.0006692700000000, 0.0000556300000000, -0.0006284100000000 ] - [ 0.0002932700000000, 0.0005622400000000, -0.0009349700000000 ] - [ 0.0006692700000000, -0.0000556300000000, -0.0006284100000000 ] - [ 0.0020390600000000, 0.0000000000000000, 0.0002111500000000 ] - [ 0.0013248200000000, 0.0000000000000000, 0.0005562100000000 ] - [ 0.0020086800000000, 0.0000137800000000, 0.0001052300000000 ] - [ 0.0013017400000000, 0.0000316100000000, 0.0005572600000000 ] - [ 0.0020086800000000, -0.0000137800000000, 0.0001052300000000 ] - [ 0.0013017400000000, -0.0000316100000000, 0.0005572600000000 ] - [ -0.0015336900000000, 0.0000228900000000, -0.0008992100000000 ] - [ -0.0018388700000000, 0.0000584200000000, -0.0009603600000000 ] - [ -0.0016125000000000, 0.0000000000000000, -0.0007786300000000 ] - [ -0.0017722800000000, 0.0000000000000000, -0.0011378300000000 ] - [ -0.0015336900000000, -0.0000228900000000, -0.0008992100000000 ] - [ -0.0018388700000000, -0.0000584200000000, -0.0009603600000000 ] - [ 0.0024999400000000, 0.0000000000000000, -0.0006327000000000 ] - [ -0.0000319200000000, 0.0000000000000000, 0.0005213100000000 ] - [ 0.0002134200000000, 0.0000851100000000, 0.0000832300000000 ] - [ 0.0000826900000000, 0.0000223500000000, 0.0006152000000000 ] - [ 0.0002134200000000, -0.0000851100000000, 0.0000832300000000 ] - [ 0.0000826900000000, -0.0000223500000000, 0.0006152000000000 ] - [ 0.0038176000000000, -0.0050567300000000, -0.0060605500000000 ] - [ -0.0001350200000000, 0.0000078300000000, -0.0005348900000000 ] - [ -0.0000632800000000, 0.0000000000000000, -0.0005251500000000 ] - [ -0.0001474400000000, 0.0000000000000000, -0.0005591800000000 ] - [ 0.0038176000000000, 0.0050567300000000, -0.0060605500000000 ] - [ -0.0001350200000000, -0.0000078300000000, -0.0005348900000000 ] - [ -0.0016591600000000, 0.0000000000000000, 0.0007216900000000 ] - [ -0.0002568300000000, 0.0000000000000000, -0.0001550900000000 ] - [ -0.0003637200000000, -0.0003669500000000, 0.0003582300000000 ] - [ -0.0004753600000000, 0.0000217400000000, -0.0002922700000000 ] - [ -0.0003637200000000, 0.0003669500000000, 0.0003582300000000 ] - [ -0.0004753600000000, -0.0000217400000000, -0.0002922700000000 ] - [ 0.0004735000000000, 0.0000367100000000, 0.0005076100000000 ] - [ 0.0006292000000000, -0.0000163700000000, 0.0003918400000000 ] - [ 0.0004091900000000, 0.0000000000000000, 0.0005845300000000 ] - [ 0.0005426600000000, 0.0000000000000000, 0.0002504100000000 ] - [ 0.0004735000000000, -0.0000367100000000, 0.0005076100000000 ] - [ 0.0006292000000000, 0.0000163700000000, 0.0003918400000000 ] - [ -0.0175133400000000, 0.0000000000000000, 0.0554794400000000 ] - [ -0.0005961600000000, 0.0000000000000000, -0.0006825300000000 ] - [ -0.0002422400000000, -0.0003039800000000, 0.0001602200000000 ] - [ -0.0006241800000000, 0.0000133100000000, -0.0007023300000000 ] - [ -0.0002422400000000, 0.0003039800000000, 0.0001602200000000 ] - [ -0.0006241800000000, -0.0000133100000000, -0.0007023300000000 ] - [ 0.0028004900000000, 0.0025649800000000, 0.0025674900000000 ] - [ 0.0006072300000000, 0.0000139500000000, 0.0006767400000000 ] - [ 0.0006632100000000, 0.0000000000000000, 0.0008615800000000 ] - [ 0.0006002300000000, 0.0000000000000000, 0.0006631500000000 ] - [ 0.0028004900000000, -0.0025649800000000, 0.0025674900000000 ] - [ 0.0006072300000000, -0.0000139500000000, 0.0006767400000000 ] - [ 0.0018042800000000, 0.0000000000000000, 0.0017059800000000 ] - [ 0.0027805000000000, 0.0000000000000000, 0.0017240400000000 ] - [ 0.0015403500000000, -0.0007963600000000, 0.0017209800000000 ] - [ 0.0027577800000000, -0.0000277500000000, 0.0016501500000000 ] - [ 0.0015403500000000, 0.0007963600000000, 0.0017209800000000 ] - [ 0.0027577800000000, 0.0000277500000000, 0.0016501500000000 ] - [ -0.0050468100000000, 0.0043364200000000, -0.0057633100000000 ] - [ -0.0028112300000000, 0.0000199400000000, -0.0017762500000000 ] - [ -0.0026527100000000, 0.0000000000000000, -0.0015130100000000 ] - [ -0.0028286600000000, 0.0000000000000000, -0.0017723900000000 ] - [ -0.0050468100000000, -0.0043364200000000, -0.0057633100000000 ] - [ -0.0028112300000000, -0.0000199400000000, -0.0017762500000000 ] - [ 0.0010403200000000, 0.0000000000000000, -0.0009245000000000 ] - [ 0.0012152300000000, 0.0000000000000000, 0.0020989100000000 ] - [ 0.0014809400000000, -0.0004146900000000, 0.0013302200000000 ] - [ 0.0012156900000000, 0.0000151200000000, 0.0020971900000000 ] - [ 0.0014809400000000, 0.0004146900000000, 0.0013302200000000 ] - [ 0.0012156900000000, -0.0000151200000000, 0.0020971900000000 ] - [ -0.0009382100000000, 0.0013847800000000, -0.0042808300000000 ] - [ -0.0014004200000000, 0.0000224000000000, -0.0021566100000000 ] - [ -0.0012108100000000, 0.0000000000000000, -0.0031932700000000 ] - [ -0.0013838000000000, 0.0000000000000000, -0.0021430000000000 ] - [ -0.0009382100000000, -0.0013847800000000, -0.0042808300000000 ] - [ -0.0014004200000000, -0.0000224000000000, -0.0021566100000000 ]- atom: 97 displacement: [ 0.0099999760773639, 0.0000000000000000, -0.0000218735491084 ] forces: - [ 0.0015605600000000, 0.0000000000000000, -0.0000097000000000 ] - [ 0.0002475000000000, 0.0000000000000000, -0.0000002800000000 ] - [ 0.0014587500000000, 0.0003994100000000, 0.0004986700000000 ] - [ 0.0004157100000000, -0.0000489900000000, 0.0001358900000000 ] - [ 0.0014587500000000, -0.0003994100000000, 0.0004986700000000 ] - [ 0.0004157100000000, 0.0000489900000000, 0.0001358900000000 ] - [ 0.0067620600000000, -0.0023733600000000, -0.0010940900000000 ] - [ -0.0019498100000000, -0.0000468800000000, -0.0007197600000000 ] - [ 0.0006037700000000, 0.0000000000000000, -0.0000987300000000 ] - [ -0.0017991900000000, 0.0000000000000000, -0.0007842100000000 ] - [ 0.0067620600000000, 0.0023733600000000, -0.0010940900000000 ] - [ -0.0019498100000000, 0.0000468800000000, -0.0007197600000000 ] - [ -0.0021086400000000, 0.0004596000000000, -0.0000161700000000 ] - [ -0.0019839800000000, 0.0000301300000000, 0.0010437300000000 ] - [ -0.0018948100000000, 0.0000000000000000, 0.0004703000000000 ] - [ -0.0007636700000000, 0.0000000000000000, 0.0003256400000000 ] - [ -0.0021086400000000, -0.0004596000000000, -0.0000161700000000 ] - [ -0.0019839800000000, -0.0000301300000000, 0.0010437300000000 ] - [ 0.0015048500000000, 0.0000000000000000, 0.0007499000000000 ] - [ 0.0035022600000000, 0.0000000000000000, 0.0002403800000000 ] - [ 0.0015498800000000, 0.0000155800000000, 0.0006621100000000 ] - [ 0.0030069200000000, -0.0000708500000000, 0.0008851000000000 ] - [ 0.0015498800000000, -0.0000155800000000, 0.0006621100000000 ] - [ 0.0030069200000000, 0.0000708500000000, 0.0008851000000000 ] - [ 0.0101149500000000, 0.0048758100000000, 0.0028818200000000 ] - [ -0.0029210200000000, 0.0001107500000000, -0.0015259500000000 ] - [ -0.0002301100000000, 0.0000000000000000, 0.0001219500000000 ] - [ -0.0027640700000000, 0.0000000000000000, -0.0015052400000000 ] - [ 0.0101149500000000, -0.0048758100000000, 0.0028818200000000 ] - [ -0.0029210200000000, -0.0001107500000000, -0.0015259500000000 ] - [ -0.0017116600000000, 0.0000000000000000, 0.0024003000000000 ] - [ -0.0024098700000000, 0.0000000000000000, 0.0020507400000000 ] - [ -0.0001412200000000, 0.0004626700000000, 0.0022383200000000 ] - [ -0.0010482900000000, -0.0001641300000000, 0.0018962000000000 ] - [ -0.0001412200000000, -0.0004626700000000, 0.0022383200000000 ] - [ -0.0010482900000000, 0.0001641300000000, 0.0018962000000000 ] - [ 0.0014835700000000, 0.0011138300000000, 0.0002956000000000 ] - [ -0.0012783800000000, -0.0000373000000000, -0.0021207300000000 ] - [ 0.0008623100000000, 0.0000000000000000, -0.0011801800000000 ] - [ -0.0012154800000000, 0.0000000000000000, -0.0020578600000000 ] - [ 0.0014835700000000, -0.0011138300000000, 0.0002956000000000 ] - [ -0.0012783800000000, 0.0000373000000000, -0.0021207300000000 ] - [ 0.0117535800000000, 0.0000000000000000, -0.0027566500000000 ] - [ -0.0003047000000000, 0.0000000000000000, -0.0008830300000000 ] - [ 0.0033527200000000, -0.0007990800000000, 0.0007551900000000 ] - [ -0.0002382500000000, 0.0000493900000000, -0.0009242700000000 ] - [ 0.0033527200000000, 0.0007990800000000, 0.0007551900000000 ] - [ -0.0002382500000000, -0.0000493900000000, -0.0009242700000000 ] - [ 0.0025408900000000, 0.0000000000000000, 0.0006648000000000 ] - [ 0.0066923200000000, 0.0000000000000000, 0.0052847000000000 ] - [ 0.0020552400000000, -0.0000622300000000, 0.0008248600000000 ] - [ 0.0034401900000000, 0.0031696100000000, 0.0024198600000000 ] - [ 0.0020552400000000, 0.0000622300000000, 0.0008248600000000 ] - [ 0.0034401900000000, -0.0031696100000000, 0.0024198600000000 ] - [ -0.0036013000000000, 0.0000843400000000, -0.0003581200000000 ] - [ -0.0007790400000000, -0.0000192300000000, -0.0004941800000000 ] - [ -0.0026844100000000, 0.0000000000000000, -0.0007750400000000 ] - [ -0.0008199500000000, 0.0000000000000000, -0.0004740300000000 ] - [ -0.0036013000000000, -0.0000843400000000, -0.0003581200000000 ] - [ -0.0007790400000000, 0.0000192300000000, -0.0004941800000000 ] - [ -0.0011147800000000, 0.0000000000000000, -0.0022654200000000 ] - [ 0.0005502900000000, 0.0000000000000000, 0.0008745400000000 ] - [ -0.0004721000000000, -0.0002419500000000, -0.0001201600000000 ] - [ 0.0005459900000000, 0.0000182900000000, 0.0008753800000000 ] - [ -0.0004721000000000, 0.0002419500000000, -0.0001201600000000 ] - [ 0.0005459900000000, -0.0000182900000000, 0.0008753800000000 ] - [ 0.0011088000000000, -0.0001845700000000, -0.0009597100000000 ] - [ 0.0004158800000000, 0.0001544300000000, -0.0006345800000000 ] - [ 0.0000311000000000, 0.0000000000000000, -0.0006523800000000 ] - [ 0.0001571900000000, 0.0000000000000000, -0.0007116600000000 ] - [ 0.0011088000000000, 0.0001845700000000, -0.0009597100000000 ] - [ 0.0004158800000000, -0.0001544300000000, -0.0006345800000000 ] - [ 0.0002806200000000, 0.0000000000000000, 0.0000444400000000 ] - [ 0.0000091000000000, 0.0000000000000000, -0.0005888500000000 ] - [ 0.0001396300000000, -0.0000859200000000, -0.0000030800000000 ] - [ -0.0006088500000000, 0.0005158300000000, -0.0007869300000000 ] - [ 0.0001396300000000, 0.0000859200000000, -0.0000030800000000 ] - [ -0.0006088500000000, -0.0005158300000000, -0.0007869300000000 ] - [ 0.0040916300000000, 0.0041150500000000, -0.0034118700000000 ] - [ 0.0011425900000000, -0.0000235100000000, 0.0003492300000000 ] - [ -0.0002112500000000, 0.0000000000000000, 0.0000647200000000 ] - [ 0.0010234000000000, 0.0000000000000000, 0.0002730800000000 ] - [ 0.0040916300000000, -0.0041150500000000, -0.0034118700000000 ] - [ 0.0011425900000000, 0.0000235100000000, 0.0003492300000000 ] - [ 0.0012938000000000, 0.0000000000000000, 0.0009684500000000 ] - [ -0.0001098400000000, 0.0000000000000000, -0.0005336300000000 ] - [ 0.0003183900000000, -0.0018731300000000, 0.0009138000000000 ] - [ -0.0001954800000000, 0.0001199600000000, -0.0005394100000000 ] - [ 0.0003183900000000, 0.0018731300000000, 0.0009138000000000 ] - [ -0.0001954800000000, -0.0001199600000000, -0.0005394100000000 ] - [ -0.0014437800000000, -0.0008256000000000, 0.0023787700000000 ] - [ 0.0011404300000000, 0.0000028700000000, 0.0009176800000000 ] - [ -0.0004193700000000, 0.0000000000000000, 0.0002176800000000 ] - [ 0.0011133100000000, 0.0000000000000000, 0.0009275600000000 ] - [ -0.0014437800000000, 0.0008256000000000, 0.0023787700000000 ] - [ 0.0011404300000000, -0.0000028700000000, 0.0009176800000000 ] - [ -0.0682114400000000, 0.0000000000000000, -0.0017217600000000 ] - [ 0.0034181500000000, 0.0000000000000000, 0.0019348800000000 ] - [ 0.0000545200000000, 0.0001709300000000, 0.0007213400000000 ] - [ 0.0033763700000000, -0.0000126000000000, 0.0019332700000000 ] - [ 0.0000545200000000, -0.0001709300000000, 0.0007213400000000 ] - [ 0.0033763700000000, 0.0000126000000000, 0.0019332700000000 ] - [ -0.0024056600000000, -0.0001192100000000, -0.0013642300000000 ] - [ -0.0026436800000000, 0.0002419600000000, -0.0016204900000000 ] - [ -0.0023792000000000, 0.0000000000000000, -0.0012307000000000 ] - [ -0.0026808400000000, 0.0000000000000000, -0.0014743400000000 ] - [ -0.0024056600000000, 0.0001192100000000, -0.0013642300000000 ] - [ -0.0026436800000000, -0.0002419600000000, -0.0016204900000000 ] - [ 0.0085624500000000, 0.0000000000000000, -0.0055836300000000 ] - [ 0.0020125600000000, 0.0000000000000000, 0.0023176100000000 ] - [ 0.0011426000000000, -0.0009629000000000, 0.0009777500000000 ] - [ 0.0017765300000000, 0.0000539400000000, 0.0022504400000000 ] - [ 0.0011426000000000, 0.0009629000000000, 0.0009777500000000 ] - [ 0.0017765300000000, -0.0000539400000000, 0.0022504400000000 ] - [ -0.0013415200000000, -0.0005184900000000, -0.0026648200000000 ] - [ -0.0006490600000000, 0.0002656800000000, -0.0017395800000000 ] - [ -0.0014720700000000, 0.0000000000000000, -0.0023806900000000 ] - [ -0.0006899000000000, 0.0000000000000000, -0.0017774500000000 ] - [ -0.0013415200000000, 0.0005184900000000, -0.0026648200000000 ] - [ -0.0006490600000000, -0.0002656800000000, -0.0017395800000000 ]- atom: 97 displacement: [ -0.0099999760773639, 0.0000000000000000, 0.0000218735491084 ] forces: - [ 0.0004778100000000, 0.0000000000000000, 0.0012167200000000 ] - [ 0.0017989200000000, 0.0000000000000000, 0.0012061400000000 ] - [ 0.0005795500000000, -0.0003991800000000, 0.0007052900000000 ] - [ 0.0016324600000000, 0.0000480600000000, 0.0010728800000000 ] - [ 0.0005795500000000, 0.0003991800000000, 0.0007052900000000 ] - [ 0.0016324600000000, -0.0000480600000000, 0.0010728800000000 ] - [ -0.0091328900000000, 0.0026748500000000, -0.0001679300000000 ] - [ -0.0000916400000000, 0.0000477900000000, -0.0004868300000000 ] - [ -0.0026644000000000, 0.0000000000000000, -0.0011111400000000 ] - [ -0.0002437800000000, 0.0000000000000000, -0.0004245200000000 ] - [ -0.0091328900000000, -0.0026748500000000, -0.0001679300000000 ] - [ -0.0000916400000000, -0.0000477900000000, -0.0004868300000000 ] - [ 0.0007325200000000, -0.0004683700000000, 0.0011803300000000 ] - [ 0.0006258100000000, -0.0000242100000000, 0.0001233300000000 ] - [ 0.0005130600000000, 0.0000000000000000, 0.0006921100000000 ] - [ -0.0005981500000000, 0.0000000000000000, 0.0008456600000000 ] - [ 0.0007325200000000, 0.0004683700000000, 0.0011803300000000 ] - [ 0.0006258100000000, 0.0000242100000000, 0.0001233300000000 ] - [ 0.0027495400000000, 0.0000000000000000, 0.0015825600000000 ] - [ 0.0007660700000000, 0.0000000000000000, 0.0021065900000000 ] - [ 0.0027074000000000, -0.0000171600000000, 0.0016788300000000 ] - [ 0.0012552900000000, 0.0000746900000000, 0.0014617900000000 ] - [ 0.0027074000000000, 0.0000171600000000, 0.0016788300000000 ] - [ 0.0012552900000000, -0.0000746900000000, 0.0014617900000000 ] - [ -0.0141903200000000, -0.0044858400000000, -0.0049998600000000 ] - [ -0.0013317900000000, -0.0001174300000000, -0.0008094000000000 ] - [ -0.0040225200000000, 0.0000000000000000, -0.0024597800000000 ] - [ -0.0014836100000000, 0.0000000000000000, -0.0008278100000000 ] - [ -0.0141903200000000, 0.0044858400000000, -0.0049998600000000 ] - [ -0.0013317900000000, 0.0001174300000000, -0.0008094000000000 ] - [ 0.0022455200000000, 0.0000000000000000, 0.0012980500000000 ] - [ 0.0029560400000000, 0.0000000000000000, 0.0016565200000000 ] - [ 0.0006789500000000, -0.0004628200000000, 0.0014592400000000 ] - [ 0.0015927100000000, 0.0001571900000000, 0.0018024600000000 ] - [ 0.0006789500000000, 0.0004628200000000, 0.0014592400000000 ] - [ 0.0015927100000000, -0.0001571900000000, 0.0018024600000000 ] - [ -0.0020442600000000, -0.0011207100000000, -0.0039980400000000 ] - [ 0.0007433800000000, 0.0000383400000000, -0.0015736600000000 ] - [ -0.0014119500000000, 0.0000000000000000, -0.0025196700000000 ] - [ 0.0006863400000000, 0.0000000000000000, -0.0016374300000000 ] - [ -0.0020442600000000, 0.0011207100000000, -0.0039980400000000 ] - [ 0.0007433800000000, -0.0000383400000000, -0.0015736600000000 ] - [ -0.0102849700000000, 0.0000000000000000, 0.0013139200000000 ] - [ 0.0016927800000000, 0.0000000000000000, -0.0002731400000000 ] - [ -0.0019897200000000, 0.0008021700000000, -0.0019346100000000 ] - [ 0.0016306200000000, -0.0000544200000000, -0.0002388200000000 ] - [ -0.0019897200000000, -0.0008021700000000, -0.0019346100000000 ] - [ 0.0016306200000000, 0.0000544200000000, -0.0002388200000000 ] - [ 0.0005220000000000, 0.0000000000000000, 0.0006917100000000 ] - [ -0.0035970700000000, 0.0000000000000000, -0.0038811500000000 ] - [ 0.0010071700000000, 0.0000613200000000, 0.0005325600000000 ] - [ -0.0003701400000000, -0.0031787200000000, -0.0010675200000000 ] - [ 0.0010071700000000, -0.0000613200000000, 0.0005325600000000 ] - [ -0.0003701400000000, 0.0031787200000000, -0.0010675200000000 ] - [ 0.0005381700000000, -0.0000941400000000, -0.0010190400000000 ] - [ -0.0022897600000000, 0.0000188000000000, -0.0008674500000000 ] - [ -0.0003751800000000, 0.0000000000000000, -0.0005780300000000 ] - [ -0.0022440200000000, 0.0000000000000000, -0.0008873900000000 ] - [ 0.0005381700000000, 0.0000941400000000, -0.0010190400000000 ] - [ -0.0022897600000000, -0.0000188000000000, -0.0008674500000000 ] - [ 0.0013237000000000, 0.0000000000000000, 0.0033835100000000 ] - [ -0.0003458000000000, 0.0000000000000000, 0.0002281200000000 ] - [ 0.0006763600000000, 0.0002407000000000, 0.0012377600000000 ] - [ -0.0003386200000000, -0.0000247200000000, 0.0002323600000000 ] - [ 0.0006763600000000, -0.0002407000000000, 0.0012377600000000 ] - [ -0.0003386200000000, 0.0000247200000000, 0.0002323600000000 ] - [ -0.0013173300000000, 0.0001878100000000, -0.0001452300000000 ] - [ -0.0006228300000000, -0.0001470000000000, -0.0004825800000000 ] - [ -0.0002372100000000, 0.0000000000000000, -0.0004531700000000 ] - [ -0.0003624800000000, 0.0000000000000000, -0.0004035300000000 ] - [ -0.0013173300000000, -0.0001878100000000, -0.0001452300000000 ] - [ -0.0006228300000000, 0.0001470000000000, -0.0004825800000000 ] - [ -0.0012704000000000, 0.0000000000000000, -0.0005593400000000 ] - [ -0.0010075900000000, 0.0000000000000000, 0.0000734600000000 ] - [ -0.0011280500000000, 0.0000861500000000, -0.0005140600000000 ] - [ -0.0003736300000000, -0.0005189700000000, 0.0002679300000000 ] - [ -0.0011280500000000, -0.0000861500000000, -0.0005140600000000 ] - [ -0.0003736300000000, 0.0005189700000000, 0.0002679300000000 ] - [ -0.0030862100000000, -0.0040811200000000, 0.0039068100000000 ] - [ -0.0001593500000000, 0.0000242300000000, 0.0001667100000000 ] - [ 0.0011955000000000, 0.0000000000000000, 0.0004495900000000 ] - [ -0.0000384100000000, 0.0000000000000000, 0.0002396600000000 ] - [ -0.0030862100000000, 0.0040811200000000, 0.0039068100000000 ] - [ -0.0001593500000000, -0.0000242300000000, 0.0001667100000000 ] - [ -0.0024690100000000, 0.0000000000000000, -0.0023176200000000 ] - [ -0.0010559500000000, 0.0000000000000000, -0.0008083100000000 ] - [ -0.0014811400000000, 0.0018883100000000, -0.0022670400000000 ] - [ -0.0009683100000000, -0.0001181200000000, -0.0007996700000000 ] - [ -0.0014811400000000, -0.0018883100000000, -0.0022670400000000 ] - [ -0.0009683100000000, 0.0001181200000000, -0.0007996700000000 ] - [ 0.0026222200000000, 0.0008125900000000, -0.0010274800000000 ] - [ 0.0000173200000000, -0.0000007300000000, 0.0004182100000000 ] - [ 0.0015877200000000, 0.0000000000000000, 0.0011222400000000 ] - [ 0.0000410100000000, 0.0000000000000000, 0.0004078600000000 ] - [ 0.0026222200000000, -0.0008125900000000, -0.0010274800000000 ] - [ 0.0000173200000000, 0.0000007300000000, 0.0004182100000000 ] - [ 0.0738933000000000, 0.0000000000000000, 0.0050504700000000 ] - [ 0.0020649900000000, 0.0000000000000000, 0.0015155100000000 ] - [ 0.0054421900000000, -0.0001801300000000, 0.0027254900000000 ] - [ 0.0021056800000000, 0.0000103300000000, 0.0015126400000000 ] - [ 0.0054421900000000, 0.0001801300000000, 0.0027254900000000 ] - [ 0.0021056800000000, -0.0000103300000000, 0.0015126400000000 ] - [ -0.0030790600000000, 0.0001200800000000, -0.0020830000000000 ] - [ -0.0028488700000000, -0.0002425500000000, -0.0018271800000000 ] - [ -0.0031027600000000, 0.0000000000000000, -0.0022188300000000 ] - [ -0.0028084400000000, 0.0000000000000000, -0.0019799100000000 ] - [ -0.0030790600000000, -0.0001200800000000, -0.0020830000000000 ] - [ -0.0028488700000000, 0.0002425500000000, -0.0018271800000000 ] - [ -0.0060460800000000, 0.0000000000000000, 0.0099406200000000 ] - [ 0.0006053300000000, 0.0000000000000000, 0.0019262400000000 ] - [ 0.0014743500000000, 0.0009689100000000, 0.0032770100000000 ] - [ 0.0008397500000000, -0.0000574200000000, 0.0019929900000000 ] - [ 0.0014743500000000, -0.0009689100000000, 0.0032770100000000 ] - [ 0.0008397500000000, 0.0000574200000000, 0.0019929900000000 ] - [ -0.0012767800000000, 0.0005228100000000, -0.0015761300000000 ] - [ -0.0019657200000000, -0.0002648600000000, -0.0025063400000000 ] - [ -0.0011475300000000, 0.0000000000000000, -0.0018626600000000 ] - [ -0.0019332900000000, 0.0000000000000000, -0.0024693700000000 ] - [ -0.0012767800000000, -0.0005228100000000, -0.0015761300000000 ] - [ -0.0019657200000000, 0.0002648600000000, -0.0025063400000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010120300000000, 0.0022189100000000, 0.0005795800000000 ] - [ 0.0010152600000000, 0.0003184400000000, 0.0005812600000000 ] - [ 0.0014887400000000, -0.0009281400000000, 0.0012252600000000 ] - [ 0.0008697600000000, -0.0001588300000000, 0.0004906100000000 ] - [ 0.0005411500000000, -0.0009347900000000, -0.0000637300000000 ] - [ 0.0011603300000000, -0.0001618900000000, 0.0006715300000000 ] - [ -0.0029777900000000, 0.0077926600000000, -0.0004547300000000 ] - [ -0.0011838800000000, 0.0000729400000000, -0.0005146800000000 ] - [ -0.0010069300000000, -0.0029653000000000, -0.0005822500000000 ] - [ -0.0010173400000000, -0.0001558000000000, -0.0005810900000000 ] - [ 0.0006712000000000, 0.0075624900000000, -0.0007535200000000 ] - [ -0.0008512500000000, 0.0000716700000000, -0.0006475900000000 ] - [ -0.0004707300000000, 0.0004121500000000, 0.0008783400000000 ] - [ -0.0021676700000000, 0.0006192000000000, 0.0013417000000000 ] - [ -0.0007048300000000, -0.0008298500000000, 0.0005787500000000 ] - [ -0.0007075500000000, -0.0007644700000000, 0.0005748000000000 ] - [ -0.0009451300000000, 0.0004099200000000, 0.0002785300000000 ] - [ 0.0007592200000000, 0.0006113400000000, -0.0001809100000000 ] - [ 0.0021104800000000, 0.0002007700000000, 0.0011475100000000 ] - [ 0.0021142800000000, 0.0019541000000000, 0.0011449200000000 ] - [ 0.0021628300000000, -0.0001036500000000, 0.0011449900000000 ] - [ 0.0019921300000000, -0.0010510300000000, 0.0000509600000000 ] - [ 0.0020587700000000, -0.0001025700000000, 0.0011529100000000 ] - [ 0.0022331000000000, -0.0010510900000000, 0.0022445100000000 ] - [ 0.0042853300000000, 0.0114890100000000, 0.0012427500000000 ] - [ -0.0019983700000000, 0.0000732800000000, -0.0011860800000000 ] - [ -0.0021176100000000, -0.0055267500000000, -0.0011521800000000 ] - [ -0.0021108800000000, -0.0001478300000000, -0.0011488400000000 ] - [ -0.0080383800000000, 0.0110092400000000, -0.0032017600000000 ] - [ -0.0022243900000000, 0.0000743000000000, -0.0011121400000000 ] - [ 0.0002581900000000, 0.0010939700000000, 0.0018478800000000 ] - [ 0.0002628000000000, 0.0005270500000000, 0.0018496400000000 ] - [ 0.0006817800000000, -0.0004943200000000, 0.0016724800000000 ] - [ -0.0010793500000000, -0.0002548400000000, 0.0019151600000000 ] - [ -0.0001530700000000, -0.0004957200000000, 0.0020251300000000 ] - [ 0.0015980100000000, -0.0002510400000000, 0.0017811100000000 ] - [ 0.0006577800000000, 0.0007716000000000, -0.0019504700000000 ] - [ -0.0003577700000000, 0.0000711900000000, -0.0018773400000000 ] - [ -0.0002613200000000, -0.0014644000000000, -0.0018531800000000 ] - [ -0.0002616300000000, -0.0001429000000000, -0.0018477200000000 ] - [ -0.0011812300000000, 0.0007582200000000, -0.0017511800000000 ] - [ -0.0001674100000000, 0.0000729000000000, -0.0018177400000000 ] - [ 0.0007105100000000, 0.0073555300000000, -0.0005812000000000 ] - [ 0.0007057300000000, 0.0001334000000000, -0.0005763400000000 ] - [ 0.0006612800000000, -0.0017874400000000, 0.0004778500000000 ] - [ 0.0007500500000000, -0.0000704100000000, -0.0005739600000000 ] - [ 0.0007552600000000, -0.0017985100000000, -0.0016319900000000 ] - [ 0.0006666900000000, -0.0000733600000000, -0.0005865800000000 ] - [ 0.0015373500000000, -0.0001700800000000, 0.0006872500000000 ] - [ 0.0015331900000000, -0.0030258400000000, 0.0006837600000000 ] - [ 0.0013722300000000, 0.0000829200000000, 0.0007329200000000 ] - [ 0.0039262400000000, 0.0052774900000000, 0.0029447200000000 ] - [ 0.0016981700000000, 0.0000819200000000, 0.0006425600000000 ] - [ -0.0008459500000000, 0.0052601200000000, -0.0015636200000000 ] - [ -0.0017258500000000, 0.0000608200000000, 0.0021949000000000 ] - [ -0.0015198300000000, -0.0000339600000000, -0.0006798600000000 ] - [ -0.0015385400000000, 0.0008341400000000, -0.0006858200000000 ] - [ -0.0015363000000000, 0.0000654700000000, -0.0006869200000000 ] - [ -0.0013515400000000, 0.0000669100000000, -0.0035641400000000 ] - [ -0.0015495500000000, -0.0000350600000000, -0.0006938200000000 ] - [ 0.0001112700000000, -0.0004722600000000, 0.0005649000000000 ] - [ 0.0001060300000000, -0.0000713300000000, 0.0005494200000000 ] - [ 0.0001801100000000, 0.0003813500000000, 0.0001677300000000 ] - [ 0.0000819000000000, 0.0000437700000000, 0.0005187000000000 ] - [ 0.0000332700000000, 0.0003847300000000, 0.0009296300000000 ] - [ 0.0001310700000000, 0.0000405900000000, 0.0005780500000000 ] - [ -0.0014355800000000, -0.0004121400000000, 0.0000268500000000 ] - [ 0.0001610700000000, -0.0001772200000000, -0.0003016500000000 ] - [ -0.0001070800000000, 0.0004389600000000, -0.0005474000000000 ] - [ -0.0001066800000000, 0.0003520600000000, -0.0005491600000000 ] - [ 0.0012159400000000, -0.0004088200000000, -0.0011170000000000 ] - [ -0.0003768000000000, -0.0001768700000000, -0.0007955100000000 ] - [ -0.0004918800000000, -0.0001924600000000, -0.0002598000000000 ] - [ -0.0005083100000000, -0.0007632600000000, -0.0002563800000000 ] - [ -0.0005748900000000, 0.0000947700000000, -0.0002805200000000 ] - [ -0.0001236000000000, 0.0006357600000000, -0.0004237400000000 ] - [ -0.0004093500000000, 0.0000953100000000, -0.0002417700000000 ] - [ -0.0008669400000000, 0.0006381000000000, -0.0000933500000000 ] - [ 0.0054990400000000, 0.0016053000000000, -0.0036333000000000 ] - [ 0.0003596800000000, -0.0000177400000000, 0.0001773800000000 ] - [ 0.0004959400000000, 0.0011963500000000, 0.0002578600000000 ] - [ 0.0004903700000000, 0.0000455000000000, 0.0002601000000000 ] - [ -0.0044853600000000, 0.0016244000000000, 0.0041313900000000 ] - [ 0.0006232600000000, -0.0000181400000000, 0.0003421000000000 ] - [ -0.0005829000000000, -0.0021093400000000, -0.0006770000000000 ] - [ -0.0005874000000000, -0.0003483500000000, -0.0006765900000000 ] - [ -0.0016544200000000, 0.0019453000000000, -0.0018831500000000 ] - [ -0.0004886100000000, 0.0001805400000000, -0.0006694700000000 ] - [ 0.0004840900000000, 0.0019451300000000, 0.0005266600000000 ] - [ -0.0006852300000000, 0.0001794500000000, -0.0006822600000000 ] - [ -0.0008172700000000, 0.0015014600000000, -0.0043672600000000 ] - [ 0.0005866100000000, -0.0000344400000000, 0.0006547100000000 ] - [ 0.0005866800000000, 0.0010728900000000, 0.0006740000000000 ] - [ 0.0005858400000000, 0.0000701900000000, 0.0006756200000000 ] - [ 0.0019885500000000, 0.0015145500000000, 0.0057020900000000 ] - [ 0.0005840800000000, -0.0000346500000000, 0.0006964400000000 ] - [ 0.0025419600000000, -0.0645541900000000, 0.0014626000000000 ] - [ 0.0027629100000000, -0.0000695000000000, 0.0017222300000000 ] - [ 0.0025845200000000, 0.0058799500000000, 0.0013713400000000 ] - [ 0.0027730900000000, 0.0000382300000000, 0.0017215600000000 ] - [ 0.0029376300000000, 0.0058319800000000, 0.0020721500000000 ] - [ 0.0027511000000000, 0.0000375400000000, 0.0017249700000000 ] - [ -0.0028816600000000, -0.0001959500000000, -0.0018123600000000 ] - [ -0.0025212600000000, -0.0002635300000000, -0.0018062200000000 ] - [ -0.0027622400000000, 0.0005763100000000, -0.0017226500000000 ] - [ -0.0027625600000000, 0.0007649800000000, -0.0017227500000000 ] - [ -0.0026415400000000, -0.0001960100000000, -0.0016336700000000 ] - [ -0.0030063200000000, -0.0002607100000000, -0.0016383500000000 ] - [ 0.0013187800000000, -0.0026417800000000, 0.0021277800000000 ] - [ 0.0012987900000000, -0.0001356500000000, 0.0021339500000000 ] - [ 0.0008950800000000, 0.0009268100000000, 0.0030519700000000 ] - [ 0.0014963000000000, 0.0000878200000000, 0.0021677700000000 ] - [ 0.0017056300000000, 0.0009282700000000, 0.0012265800000000 ] - [ 0.0011054500000000, 0.0000846700000000, 0.0021009800000000 ] - [ -0.0014690500000000, -0.0003414800000000, -0.0023927600000000 ] - [ -0.0011730000000000, -0.0001757500000000, -0.0020575200000000 ] - [ -0.0012993300000000, 0.0006048000000000, -0.0021340100000000 ] - [ -0.0012999800000000, 0.0004108400000000, -0.0021346300000000 ] - [ -0.0011269400000000, -0.0003367100000000, -0.0018771000000000 ] - [ -0.0014276500000000, -0.0001745000000000, -0.0022130300000000 ]- atom: 97 displacement: [ -0.0032259099543045, 0.0000000000000000, 0.0094653845651785 ] forces: - [ -0.0000671600000000, 0.0000000000000000, -0.0003193300000000 ] - [ 0.0009418400000000, 0.0000000000000000, 0.0003957100000000 ] - [ 0.0005132000000000, 0.0005809000000000, 0.0000976400000000 ] - [ 0.0009034000000000, 0.0000429500000000, 0.0004811200000000 ] - [ 0.0005132000000000, -0.0005809000000000, 0.0000976400000000 ] - [ 0.0009034000000000, -0.0000429500000000, 0.0004811200000000 ] - [ -0.0026462000000000, 0.0009286000000000, 0.0021679000000000 ] - [ -0.0009449800000000, 0.0000560100000000, -0.0005592400000000 ] - [ -0.0009716800000000, 0.0000000000000000, -0.0003505300000000 ] - [ -0.0010279700000000, 0.0000000000000000, -0.0005695400000000 ] - [ -0.0026462000000000, -0.0009286000000000, 0.0021679000000000 ] - [ -0.0009449800000000, -0.0000560100000000, -0.0005592400000000 ] - [ -0.0008366300000000, 0.0000724700000000, 0.0006869600000000 ] - [ 0.0003130400000000, 0.0004025600000000, 0.0004382400000000 ] - [ -0.0006919600000000, 0.0000000000000000, 0.0006230500000000 ] - [ -0.0004496900000000, 0.0000000000000000, 0.0005470200000000 ] - [ -0.0008366300000000, -0.0000724700000000, 0.0006869600000000 ] - [ 0.0003130400000000, -0.0004025600000000, 0.0004382400000000 ] - [ 0.0020617700000000, 0.0000000000000000, 0.0009290600000000 ] - [ 0.0018705200000000, 0.0000000000000000, -0.0009754000000000 ] - [ 0.0019998400000000, -0.0000126300000000, 0.0010403400000000 ] - [ 0.0017647700000000, -0.0007953300000000, 0.0000732200000000 ] - [ 0.0019998400000000, 0.0000126300000000, 0.0010403400000000 ] - [ 0.0017647700000000, 0.0007953300000000, 0.0000732200000000 ] - [ -0.0020262100000000, 0.0005421200000000, 0.0029763200000000 ] - [ -0.0020784800000000, -0.0000940200000000, -0.0011330700000000 ] - [ -0.0019698200000000, 0.0000000000000000, -0.0006160000000000 ] - [ -0.0021297500000000, 0.0000000000000000, -0.0011947300000000 ] - [ -0.0020262100000000, -0.0005421200000000, 0.0029763200000000 ] - [ -0.0020784800000000, 0.0000940200000000, -0.0011330700000000 ] - [ 0.0014831600000000, 0.0000000000000000, 0.0017857900000000 ] - [ -0.0005342600000000, 0.0000000000000000, 0.0022809100000000 ] - [ 0.0003792000000000, -0.0001046000000000, 0.0017333300000000 ] - [ -0.0001151400000000, 0.0000935400000000, 0.0020779100000000 ] - [ 0.0003792000000000, 0.0001046000000000, 0.0017333300000000 ] - [ -0.0001151400000000, -0.0000935400000000, 0.0020779100000000 ] - [ 0.0006962200000000, -0.0005561000000000, -0.0036636600000000 ] - [ -0.0003772500000000, 0.0000011600000000, -0.0018320400000000 ] - [ 0.0000239300000000, 0.0000000000000000, -0.0022222400000000 ] - [ -0.0003860500000000, 0.0000000000000000, -0.0018286100000000 ] - [ 0.0006962200000000, 0.0005561000000000, -0.0036636600000000 ] - [ -0.0003772500000000, -0.0000011600000000, -0.0018320400000000 ] - [ -0.0066287200000000, 0.0000000000000000, 0.0133018400000000 ] - [ 0.0006527300000000, 0.0000000000000000, -0.0005729900000000 ] - [ 0.0007468700000000, 0.0010705500000000, -0.0006567500000000 ] - [ 0.0006414400000000, -0.0000054100000000, -0.0005873300000000 ] - [ 0.0007468700000000, -0.0010705500000000, -0.0006567500000000 ] - [ 0.0006414400000000, 0.0000054100000000, -0.0005873300000000 ] - [ 0.0011100900000000, 0.0000000000000000, 0.0008272600000000 ] - [ 0.0037188900000000, 0.0000000000000000, 0.0013248000000000 ] - [ 0.0015185700000000, 0.0000097600000000, 0.0007184400000000 ] - [ 0.0020418000000000, 0.0008886700000000, 0.0012625000000000 ] - [ 0.0015185700000000, -0.0000097600000000, 0.0007184400000000 ] - [ 0.0020418000000000, -0.0008886700000000, 0.0012625000000000 ] - [ -0.0014259700000000, 0.0012889800000000, 0.0020137900000000 ] - [ -0.0014594500000000, 0.0000349600000000, -0.0006107900000000 ] - [ -0.0017444300000000, 0.0000000000000000, -0.0006476100000000 ] - [ -0.0014414500000000, 0.0000000000000000, -0.0006258600000000 ] - [ -0.0014259700000000, -0.0012889800000000, 0.0020137900000000 ] - [ -0.0014594500000000, -0.0000349600000000, -0.0006107900000000 ] - [ 0.0006686900000000, 0.0000000000000000, 0.0042166600000000 ] - [ 0.0001363100000000, 0.0000000000000000, 0.0005836300000000 ] - [ -0.0002319600000000, 0.0000680100000000, 0.0011589500000000 ] - [ 0.0001416500000000, 0.0000005300000000, 0.0005882900000000 ] - [ -0.0002319600000000, -0.0000680100000000, 0.0011589500000000 ] - [ 0.0001416500000000, -0.0000005300000000, 0.0005882900000000 ] - [ -0.0001358200000000, 0.0001538200000000, -0.0007178000000000 ] - [ -0.0001767800000000, 0.0000639600000000, -0.0009387500000000 ] - [ -0.0001021500000000, 0.0000000000000000, -0.0005729200000000 ] - [ -0.0000636700000000, 0.0000000000000000, -0.0006898300000000 ] - [ -0.0001358200000000, -0.0001538200000000, -0.0007178000000000 ] - [ -0.0001767800000000, -0.0000639600000000, -0.0009387500000000 ] - [ -0.0004364400000000, 0.0000000000000000, -0.0002279200000000 ] - [ -0.0035630900000000, 0.0000000000000000, 0.0010028700000000 ] - [ -0.0004205500000000, -0.0000038100000000, -0.0002698500000000 ] - [ -0.0006684500000000, -0.0001934000000000, 0.0004107000000000 ] - [ -0.0004205500000000, 0.0000038100000000, -0.0002698500000000 ] - [ -0.0006684500000000, 0.0001934000000000, 0.0004107000000000 ] - [ -0.0025734400000000, -0.0030584000000000, -0.0001159400000000 ] - [ 0.0005013400000000, 0.0000039600000000, 0.0002259800000000 ] - [ 0.0004240000000000, 0.0000000000000000, -0.0000524500000000 ] - [ 0.0005111200000000, 0.0000000000000000, 0.0002439000000000 ] - [ -0.0025734400000000, 0.0030584000000000, -0.0001159400000000 ] - [ 0.0005013400000000, -0.0000039600000000, 0.0002259800000000 ] - [ -0.0002962100000000, 0.0000000000000000, -0.0008708700000000 ] - [ -0.0008309900000000, 0.0000000000000000, -0.0007403100000000 ] - [ -0.0006001200000000, 0.0002485700000000, -0.0010774300000000 ] - [ -0.0006662800000000, -0.0000887700000000, -0.0006181900000000 ] - [ -0.0006001200000000, -0.0002485700000000, -0.0010774300000000 ] - [ -0.0006662800000000, 0.0000887700000000, -0.0006181900000000 ] - [ 0.0029506200000000, -0.0038614900000000, 0.0047004100000000 ] - [ 0.0006071000000000, -0.0000140100000000, 0.0007043700000000 ] - [ 0.0006196200000000, 0.0000000000000000, 0.0005014200000000 ] - [ 0.0006139500000000, 0.0000000000000000, 0.0006968700000000 ] - [ 0.0029506200000000, 0.0038614900000000, 0.0047004100000000 ] - [ 0.0006071000000000, 0.0000140100000000, 0.0007043700000000 ] - [ 0.0221123200000000, 0.0000000000000000, -0.0440838000000000 ] - [ 0.0027350000000000, 0.0000000000000000, 0.0017161800000000 ] - [ 0.0026658500000000, 0.0002701600000000, 0.0011313800000000 ] - [ 0.0027456700000000, 0.0000031600000000, 0.0017209500000000 ] - [ 0.0026658500000000, -0.0002701600000000, 0.0011313800000000 ] - [ 0.0027456700000000, -0.0000031600000000, 0.0017209500000000 ] - [ -0.0025195300000000, -0.0000454700000000, -0.0015963400000000 ] - [ -0.0026833600000000, -0.0001558500000000, -0.0012754900000000 ] - [ -0.0024010800000000, 0.0000000000000000, -0.0016892800000000 ] - [ -0.0025304800000000, 0.0000000000000000, -0.0013284700000000 ] - [ -0.0025195300000000, 0.0000454700000000, -0.0015963400000000 ] - [ -0.0026833600000000, 0.0001558500000000, -0.0012754900000000 ] - [ -0.0068069600000000, 0.0000000000000000, 0.0078329200000000 ] - [ 0.0014244300000000, 0.0000000000000000, 0.0020738700000000 ] - [ 0.0011686700000000, 0.0002289400000000, 0.0022679000000000 ] - [ 0.0013704200000000, -0.0000194000000000, 0.0020935400000000 ] - [ 0.0011686700000000, -0.0002289400000000, 0.0022679000000000 ] - [ 0.0013704200000000, 0.0000194000000000, 0.0020935400000000 ] - [ -0.0015827500000000, 0.0002978700000000, -0.0014175000000000 ] - [ -0.0011989800000000, 0.0000556700000000, -0.0020930600000000 ] - [ -0.0014305800000000, 0.0000000000000000, -0.0017999300000000 ] - [ -0.0012064700000000, 0.0000000000000000, -0.0021190500000000 ] - [ -0.0015827500000000, -0.0002978700000000, -0.0014175000000000 ] - [ -0.0011989800000000, -0.0000556700000000, -0.0020930600000000 ]- atom: 97 displacement: [ 0.0032259099543045, 0.0000000000000000, -0.0094653845651785 ] forces: - [ 0.0021275100000000, 0.0000000000000000, 0.0015127500000000 ] - [ 0.0011055100000000, 0.0000000000000000, 0.0008045200000000 ] - [ 0.0015439800000000, -0.0005838600000000, 0.0010992600000000 ] - [ 0.0011446400000000, -0.0000424600000000, 0.0007195400000000 ] - [ 0.0015439800000000, 0.0005838600000000, 0.0010992600000000 ] - [ 0.0011446400000000, 0.0000424600000000, 0.0007195400000000 ] - [ 0.0006133200000000, -0.0009378100000000, -0.0033920400000000 ] - [ -0.0011102600000000, -0.0000587200000000, -0.0006424800000000 ] - [ -0.0010807900000000, 0.0000000000000000, -0.0008497500000000 ] - [ -0.0010294000000000, 0.0000000000000000, -0.0006343400000000 ] - [ 0.0006133200000000, 0.0009378100000000, -0.0033920400000000 ] - [ -0.0011102600000000, 0.0000587200000000, -0.0006424800000000 ] - [ -0.0005555300000000, -0.0000754400000000, 0.0004722000000000 ] - [ -0.0016874400000000, -0.0004060700000000, 0.0007222900000000 ] - [ -0.0007033800000000, 0.0000000000000000, 0.0005374100000000 ] - [ -0.0009193000000000, 0.0000000000000000, 0.0006194200000000 ] - [ -0.0005555300000000, 0.0000754400000000, 0.0004722000000000 ] - [ -0.0016874400000000, 0.0004060700000000, 0.0007222900000000 ] - [ 0.0021877200000000, 0.0000000000000000, 0.0013924900000000 ] - [ 0.0023746300000000, 0.0000000000000000, 0.0033344500000000 ] - [ 0.0022500000000000, 0.0000109600000000, 0.0012858500000000 ] - [ 0.0024850900000000, 0.0007900200000000, 0.0022653900000000 ] - [ 0.0022500000000000, -0.0000109600000000, 0.0012858500000000 ] - [ 0.0024850900000000, -0.0007900200000000, 0.0022653900000000 ] - [ -0.0022410300000000, -0.0005789000000000, -0.0053642400000000 ] - [ -0.0021721500000000, 0.0000897400000000, -0.0011915500000000 ] - [ -0.0022793300000000, 0.0000000000000000, -0.0017168600000000 ] - [ -0.0021179300000000, 0.0000000000000000, -0.0011305800000000 ] - [ -0.0022410300000000, 0.0005789000000000, -0.0053642400000000 ] - [ -0.0021721500000000, -0.0000897400000000, -0.0011915500000000 ] - [ -0.0009499900000000, 0.0000000000000000, 0.0019257100000000 ] - [ 0.0010889400000000, 0.0000000000000000, 0.0014231500000000 ] - [ 0.0001686900000000, 0.0001053500000000, 0.0019756700000000 ] - [ 0.0006679800000000, -0.0000973900000000, 0.0016239800000000 ] - [ 0.0001686900000000, -0.0001053500000000, 0.0019756700000000 ] - [ 0.0006679800000000, 0.0000973900000000, 0.0016239800000000 ] - [ -0.0012518700000000, 0.0005490900000000, -0.0000222800000000 ] - [ -0.0001711400000000, -0.0000016200000000, -0.0018707400000000 ] - [ -0.0005759000000000, 0.0000000000000000, -0.0014771000000000 ] - [ -0.0001588600000000, 0.0000000000000000, -0.0018772000000000 ] - [ -0.0012518700000000, -0.0005490900000000, -0.0000222800000000 ] - [ -0.0001711400000000, 0.0000016200000000, -0.0018707400000000 ] - [ 0.0085885400000000, 0.0000000000000000, -0.0154438500000000 ] - [ 0.0007363600000000, 0.0000000000000000, -0.0005846200000000 ] - [ 0.0006296300000000, -0.0010724100000000, -0.0005135600000000 ] - [ 0.0007484100000000, 0.0000017300000000, -0.0005777300000000 ] - [ 0.0006296300000000, 0.0010724100000000, -0.0005135600000000 ] - [ 0.0007484100000000, -0.0000017300000000, -0.0005777300000000 ] - [ 0.0019612700000000, 0.0000000000000000, 0.0005304600000000 ] - [ -0.0006512900000000, 0.0000000000000000, 0.0000233400000000 ] - [ 0.0015492900000000, -0.0000111900000000, 0.0006408400000000 ] - [ 0.0010209400000000, -0.0009033400000000, 0.0000838700000000 ] - [ 0.0015492900000000, 0.0000111900000000, 0.0006408400000000 ] - [ 0.0010209400000000, 0.0009033400000000, 0.0000838700000000 ] - [ -0.0016430000000000, -0.0012716800000000, -0.0033524600000000 ] - [ -0.0016078800000000, -0.0000350500000000, -0.0007513700000000 ] - [ -0.0013268100000000, 0.0000000000000000, -0.0007104300000000 ] - [ -0.0016249300000000, 0.0000000000000000, -0.0007357100000000 ] - [ -0.0016430000000000, 0.0012716800000000, -0.0033524600000000 ] - [ -0.0016078800000000, 0.0000350500000000, -0.0007513700000000 ] - [ -0.0004861600000000, 0.0000000000000000, -0.0031419300000000 ] - [ 0.0000576400000000, 0.0000000000000000, 0.0005329700000000 ] - [ 0.0004226500000000, -0.0000676700000000, -0.0000428500000000 ] - [ 0.0000558200000000, -0.0000042800000000, 0.0005276200000000 ] - [ 0.0004226500000000, 0.0000676700000000, -0.0000428500000000 ] - [ 0.0000558200000000, 0.0000042800000000, 0.0005276200000000 ] - [ -0.0000483500000000, -0.0001541700000000, -0.0003998800000000 ] - [ -0.0000168200000000, -0.0000604100000000, -0.0001776900000000 ] - [ -0.0000899500000000, 0.0000000000000000, -0.0005422000000000 ] - [ -0.0001295900000000, 0.0000000000000000, -0.0004295600000000 ] - [ -0.0000483500000000, 0.0001541700000000, -0.0003998800000000 ] - [ -0.0000168200000000, 0.0000604100000000, -0.0001776900000000 ] - [ -0.0005370500000000, 0.0000000000000000, -0.0002643900000000 ] - [ 0.0026393800000000, 0.0000000000000000, -0.0015170500000000 ] - [ -0.0005504600000000, 0.0000017400000000, -0.0002292300000000 ] - [ -0.0003007700000000, 0.0001938400000000, -0.0009106500000000 ] - [ -0.0005504600000000, -0.0000017400000000, -0.0002292300000000 ] - [ -0.0003007700000000, -0.0001938400000000, -0.0009106500000000 ] - [ 0.0035602900000000, 0.0030826300000000, 0.0006267900000000 ] - [ 0.0004702500000000, -0.0000075300000000, 0.0002712600000000 ] - [ 0.0005462100000000, 0.0000000000000000, 0.0005534800000000 ] - [ 0.0004615500000000, 0.0000000000000000, 0.0002511400000000 ] - [ 0.0035602900000000, -0.0030826300000000, 0.0006267900000000 ] - [ 0.0004702500000000, 0.0000075300000000, 0.0002712600000000 ] - [ -0.0008673700000000, 0.0000000000000000, -0.0004533400000000 ] - [ -0.0003348800000000, 0.0000000000000000, -0.0005896000000000 ] - [ -0.0005621700000000, -0.0002560300000000, -0.0002417100000000 ] - [ -0.0005032300000000, 0.0000922700000000, -0.0007098300000000 ] - [ -0.0005621700000000, 0.0002560300000000, -0.0002417100000000 ] - [ -0.0005032300000000, -0.0000922700000000, -0.0007098300000000 ] - [ -0.0018064200000000, 0.0039028000000000, -0.0034076400000000 ] - [ 0.0005662300000000, 0.0000138800000000, 0.0006234000000000 ] - [ 0.0005497600000000, 0.0000000000000000, 0.0008294500000000 ] - [ 0.0005541000000000, 0.0000000000000000, 0.0006308000000000 ] - [ -0.0018064200000000, -0.0039028000000000, -0.0034076400000000 ] - [ 0.0005662300000000, -0.0000138800000000, 0.0006234000000000 ] - [ -0.0171393600000000, 0.0000000000000000, 0.0486815600000000 ] - [ 0.0027611500000000, 0.0000000000000000, 0.0017271300000000 ] - [ 0.0028193800000000, -0.0002790800000000, 0.0023075600000000 ] - [ 0.0027461500000000, -0.0000058800000000, 0.0017196300000000 ] - [ 0.0028193800000000, 0.0002790800000000, 0.0023075600000000 ] - [ 0.0027461500000000, 0.0000058800000000, 0.0017196300000000 ] - [ -0.0029728900000000, 0.0000462600000000, -0.0018432700000000 ] - [ -0.0028053800000000, 0.0001572300000000, -0.0021657700000000 ] - [ -0.0030918500000000, 0.0000000000000000, -0.0017516500000000 ] - [ -0.0029576000000000, 0.0000000000000000, -0.0021156300000000 ] - [ -0.0029728900000000, -0.0000462600000000, -0.0018432700000000 ] - [ -0.0028053800000000, -0.0001572300000000, -0.0021657700000000 ] - [ 0.0093139100000000, 0.0000000000000000, -0.0035234700000000 ] - [ 0.0011877500000000, 0.0000000000000000, 0.0021769900000000 ] - [ 0.0014439600000000, -0.0002313100000000, 0.0019765000000000 ] - [ 0.0012420500000000, 0.0000179200000000, 0.0021575400000000 ] - [ 0.0014439600000000, 0.0002313100000000, 0.0019765000000000 ] - [ 0.0012420500000000, -0.0000179200000000, 0.0021575400000000 ] - [ -0.0010315300000000, -0.0002953100000000, -0.0028373700000000 ] - [ -0.0014108600000000, -0.0000580700000000, -0.0021595400000000 ] - [ -0.0011809400000000, 0.0000000000000000, -0.0024555000000000 ] - [ -0.0014084200000000, 0.0000000000000000, -0.0021330600000000 ] - [ -0.0010315300000000, 0.0002953100000000, -0.0028373700000000 ] - [ -0.0014108600000000, 0.0000580700000000, -0.0021595400000000 ]- atom: 109 displacement: [ 0.0099999760773639, 0.0000000000000000, -0.0000218735491084 ] forces: - [ 0.0021095600000000, 0.0000000000000000, 0.0019734200000000 ] - [ 0.0002889700000000, 0.0000000000000000, 0.0003603400000000 ] - [ 0.0017873300000000, 0.0004786600000000, 0.0016769000000000 ] - [ 0.0003645500000000, -0.0000266400000000, 0.0003806700000000 ] - [ 0.0017873300000000, -0.0004786600000000, 0.0016769000000000 ] - [ 0.0003645500000000, 0.0000266400000000, 0.0003806700000000 ] - [ 0.0032205400000000, 0.0001616000000000, -0.0004448300000000 ] - [ -0.0016965600000000, 0.0000732900000000, -0.0008065300000000 ] - [ -0.0002862500000000, 0.0000000000000000, -0.0002371800000000 ] - [ -0.0015914700000000, 0.0000000000000000, -0.0007977100000000 ] - [ 0.0032205400000000, -0.0001616000000000, -0.0004448300000000 ] - [ -0.0016965600000000, -0.0000732900000000, -0.0008065300000000 ] - [ -0.0005096400000000, 0.0000812500000000, -0.0005573000000000 ] - [ -0.0012006600000000, -0.0000688500000000, 0.0003222300000000 ] - [ -0.0003320700000000, 0.0000000000000000, 0.0005222200000000 ] - [ -0.0010199600000000, 0.0000000000000000, 0.0003103700000000 ] - [ -0.0005096400000000, -0.0000812500000000, -0.0005573000000000 ] - [ -0.0012006600000000, 0.0000688500000000, 0.0003222300000000 ] - [ 0.0013010500000000, 0.0000000000000000, 0.0027034200000000 ] - [ 0.0011849100000000, 0.0000000000000000, 0.0001856200000000 ] - [ 0.0020508000000000, 0.0003163600000000, 0.0013095000000000 ] - [ 0.0016171700000000, -0.0008296500000000, 0.0006595300000000 ] - [ 0.0020508000000000, -0.0003163600000000, 0.0013095000000000 ] - [ 0.0016171700000000, 0.0008296500000000, 0.0006595300000000 ] - [ -0.0029529300000000, -0.0009837800000000, -0.0008993000000000 ] - [ -0.0030605800000000, 0.0013691700000000, -0.0020191200000000 ] - [ -0.0021126600000000, 0.0000000000000000, -0.0010827600000000 ] - [ -0.0024019000000000, 0.0000000000000000, -0.0013531500000000 ] - [ -0.0029529300000000, 0.0009837800000000, -0.0008993000000000 ] - [ -0.0030605800000000, -0.0013691700000000, -0.0020191200000000 ] - [ 0.0340058800000000, 0.0000000000000000, 0.0032814400000000 ] - [ -0.0004654000000000, 0.0000000000000000, 0.0017931000000000 ] - [ 0.0010119000000000, 0.0013156600000000, 0.0023487500000000 ] - [ -0.0002985100000000, -0.0000215900000000, 0.0017823800000000 ] - [ 0.0010119000000000, -0.0013156600000000, 0.0023487500000000 ] - [ -0.0002985100000000, 0.0000215900000000, 0.0017823800000000 ] - [ 0.0034715500000000, -0.0018302800000000, -0.0031725100000000 ] - [ -0.0009743600000000, 0.0000259300000000, -0.0019407600000000 ] - [ 0.0004549200000000, 0.0000000000000000, -0.0017289800000000 ] - [ -0.0007272700000000, 0.0000000000000000, -0.0019426500000000 ] - [ 0.0034715500000000, 0.0018302800000000, -0.0031725100000000 ] - [ -0.0009743600000000, -0.0000259300000000, -0.0019407600000000 ] - [ 0.0010017400000000, 0.0000000000000000, 0.0004492100000000 ] - [ 0.0001006700000000, 0.0000000000000000, -0.0009590000000000 ] - [ 0.0010575300000000, -0.0001870500000000, -0.0004054400000000 ] - [ 0.0002335700000000, 0.0001975600000000, -0.0008925800000000 ] - [ 0.0010575300000000, 0.0001870500000000, -0.0004054400000000 ] - [ 0.0002335700000000, -0.0001975600000000, -0.0008925800000000 ] - [ 0.0093238600000000, 0.0000000000000000, -0.0003820500000000 ] - [ 0.0022462600000000, 0.0000000000000000, 0.0006543800000000 ] - [ 0.0016258900000000, -0.0002677300000000, 0.0006536200000000 ] - [ 0.0019790200000000, 0.0002641700000000, 0.0006328000000000 ] - [ 0.0016258900000000, 0.0002677300000000, 0.0006536200000000 ] - [ 0.0019790200000000, -0.0002641700000000, 0.0006328000000000 ] - [ 0.0012008900000000, 0.0016338800000000, 0.0009609100000000 ] - [ -0.0008921400000000, -0.0003937400000000, -0.0009024800000000 ] - [ -0.0018124700000000, 0.0000000000000000, -0.0007292500000000 ] - [ -0.0012378500000000, 0.0000000000000000, -0.0006783000000000 ] - [ 0.0012008900000000, -0.0016338800000000, 0.0009609100000000 ] - [ -0.0008921400000000, 0.0003937400000000, -0.0009024800000000 ] - [ -0.0010958900000000, 0.0000000000000000, 0.0010066800000000 ] - [ 0.0003659900000000, 0.0000000000000000, 0.0007133700000000 ] - [ -0.0001980100000000, 0.0006876800000000, 0.0011207500000000 ] - [ 0.0003415200000000, -0.0000277200000000, 0.0006564300000000 ] - [ -0.0001980100000000, -0.0006876800000000, 0.0011207500000000 ] - [ 0.0003415200000000, 0.0000277200000000, 0.0006564300000000 ] - [ 0.0014487200000000, -0.0044267300000000, 0.0029911200000000 ] - [ 0.0001357900000000, 0.0000166400000000, -0.0004736800000000 ] - [ -0.0005227700000000, 0.0000000000000000, -0.0004813200000000 ] - [ 0.0001171000000000, 0.0000000000000000, -0.0005117100000000 ] - [ 0.0014487200000000, 0.0044267300000000, 0.0029911200000000 ] - [ 0.0001357900000000, -0.0000166400000000, -0.0004736800000000 ] - [ -0.0001710300000000, 0.0000000000000000, -0.0005172300000000 ] - [ -0.0002391600000000, 0.0000000000000000, -0.0000404500000000 ] - [ -0.0004493500000000, -0.0001882500000000, -0.0002531000000000 ] - [ -0.0004540500000000, 0.0000925700000000, -0.0001115600000000 ] - [ -0.0004493500000000, 0.0001882500000000, -0.0002531000000000 ] - [ -0.0004540500000000, -0.0000925700000000, -0.0001115600000000 ] - [ 0.0007924500000000, 0.0003604200000000, -0.0000904400000000 ] - [ 0.0009514600000000, -0.0000608200000000, 0.0005901200000000 ] - [ 0.0004947300000000, 0.0000000000000000, 0.0001904400000000 ] - [ 0.0005730800000000, 0.0000000000000000, 0.0003252000000000 ] - [ 0.0007924500000000, -0.0003604200000000, -0.0000904400000000 ] - [ 0.0009514600000000, 0.0000608200000000, 0.0005901200000000 ] - [ -0.0014161400000000, 0.0000000000000000, -0.0006647500000000 ] - [ -0.0002209000000000, 0.0000000000000000, -0.0004387200000000 ] - [ -0.0014835900000000, 0.0003375200000000, -0.0011515000000000 ] - [ -0.0002554500000000, 0.0000149600000000, -0.0004499900000000 ] - [ -0.0014835900000000, -0.0003375200000000, -0.0011515000000000 ] - [ -0.0002554500000000, -0.0000149600000000, -0.0004499900000000 ] - [ 0.0000933300000000, 0.0000910200000000, 0.0001029200000000 ] - [ 0.0010202000000000, -0.0000422200000000, 0.0009062300000000 ] - [ -0.0000175300000000, 0.0000000000000000, 0.0003465000000000 ] - [ 0.0009592400000000, 0.0000000000000000, 0.0008672400000000 ] - [ 0.0000933300000000, -0.0000910200000000, 0.0001029200000000 ] - [ 0.0010202000000000, 0.0000422200000000, 0.0009062300000000 ] - [ 0.0101066300000000, 0.0000000000000000, -0.0043589800000000 ] - [ 0.0034507000000000, 0.0000000000000000, 0.0020875100000000 ] - [ 0.0025818200000000, 0.0004047400000000, 0.0015211200000000 ] - [ 0.0032156200000000, -0.0001959600000000, 0.0019498100000000 ] - [ 0.0025818200000000, -0.0004047400000000, 0.0015211200000000 ] - [ 0.0032156200000000, 0.0001959600000000, 0.0019498100000000 ] - [ -0.0027785300000000, -0.0001684900000000, -0.0020250100000000 ] - [ -0.0020919500000000, 0.0001266800000000, -0.0013897400000000 ] - [ -0.0029081500000000, 0.0000000000000000, -0.0019116900000000 ] - [ -0.0021272500000000, 0.0000000000000000, -0.0014074800000000 ] - [ -0.0027785300000000, 0.0001684900000000, -0.0020250100000000 ] - [ -0.0020919500000000, -0.0001266800000000, -0.0013897400000000 ] - [ -0.0689430100000000, 0.0000000000000000, 0.0060838100000000 ] - [ 0.0016616500000000, 0.0000000000000000, 0.0022081100000000 ] - [ 0.0005629500000000, 0.0004727400000000, 0.0019814300000000 ] - [ 0.0015887900000000, -0.0000207600000000, 0.0022061000000000 ] - [ 0.0005629500000000, -0.0004727400000000, 0.0019814300000000 ] - [ 0.0015887900000000, 0.0000207600000000, 0.0022061000000000 ] - [ -0.0007279600000000, -0.0031312500000000, -0.0054040400000000 ] - [ -0.0009825100000000, 0.0000059000000000, -0.0020409600000000 ] - [ -0.0017312000000000, 0.0000000000000000, -0.0024339100000000 ] - [ -0.0010598400000000, 0.0000000000000000, -0.0020499100000000 ] - [ -0.0007279600000000, 0.0031312500000000, -0.0054040400000000 ] - [ -0.0009825100000000, -0.0000059000000000, -0.0020409600000000 ]- atom: 109 displacement: [ -0.0099999760773639, 0.0000000000000000, 0.0000218735491084 ] forces: - [ -0.0000643100000000, 0.0000000000000000, -0.0007676100000000 ] - [ 0.0017666000000000, 0.0000000000000000, 0.0008582300000000 ] - [ 0.0002574700000000, -0.0004833000000000, -0.0004674800000000 ] - [ 0.0016893100000000, 0.0000266500000000, 0.0008393300000000 ] - [ 0.0002574700000000, 0.0004833000000000, -0.0004674800000000 ] - [ 0.0016893100000000, -0.0000266500000000, 0.0008393300000000 ] - [ -0.0053020500000000, -0.0001685800000000, -0.0007697900000000 ] - [ -0.0003483800000000, -0.0000755200000000, -0.0004094800000000 ] - [ -0.0017722700000000, 0.0000000000000000, -0.0009853300000000 ] - [ -0.0004576800000000, 0.0000000000000000, -0.0004194600000000 ] - [ -0.0053020500000000, 0.0001685800000000, -0.0007697900000000 ] - [ -0.0003483800000000, 0.0000755200000000, -0.0004094800000000 ] - [ -0.0008658600000000, -0.0000841200000000, 0.0017105400000000 ] - [ -0.0001549800000000, 0.0000715600000000, 0.0008302800000000 ] - [ -0.0010461700000000, 0.0000000000000000, 0.0006256800000000 ] - [ -0.0003358900000000, 0.0000000000000000, 0.0008453900000000 ] - [ -0.0008658600000000, 0.0000841200000000, 0.0017105400000000 ] - [ -0.0001549800000000, -0.0000715600000000, 0.0008302800000000 ] - [ 0.0029418200000000, 0.0000000000000000, -0.0004018000000000 ] - [ 0.0030609400000000, 0.0000000000000000, 0.0021556800000000 ] - [ 0.0021886100000000, -0.0003224800000000, 0.0010187000000000 ] - [ 0.0026246000000000, 0.0008284400000000, 0.0016763100000000 ] - [ 0.0021886100000000, 0.0003224800000000, 0.0010187000000000 ] - [ 0.0026246000000000, -0.0008284400000000, 0.0016763100000000 ] - [ -0.0012675000000000, 0.0009905200000000, -0.0014342700000000 ] - [ -0.0011687300000000, -0.0013926600000000, -0.0002988100000000 ] - [ -0.0021214500000000, 0.0000000000000000, -0.0012440400000000 ] - [ -0.0018332300000000, 0.0000000000000000, -0.0009742000000000 ] - [ -0.0012675000000000, -0.0009905200000000, -0.0014342700000000 ] - [ -0.0011687300000000, 0.0013926600000000, -0.0002988100000000 ] - [ -0.0353741800000000, 0.0000000000000000, 0.0004537700000000 ] - [ 0.0010156000000000, 0.0000000000000000, 0.0019128400000000 ] - [ -0.0004849500000000, -0.0013189500000000, 0.0013513800000000 ] - [ 0.0008442200000000, 0.0000161700000000, 0.0019201400000000 ] - [ -0.0004849500000000, 0.0013189500000000, 0.0013513800000000 ] - [ 0.0008442200000000, -0.0000161700000000, 0.0019201400000000 ] - [ -0.0040374500000000, 0.0017775000000000, -0.0005861600000000 ] - [ 0.0004392500000000, -0.0000266300000000, -0.0017593800000000 ] - [ -0.0009970700000000, 0.0000000000000000, -0.0019732400000000 ] - [ 0.0001959400000000, 0.0000000000000000, -0.0017582300000000 ] - [ -0.0040374500000000, -0.0017775000000000, -0.0005861600000000 ] - [ 0.0004392500000000, 0.0000266300000000, -0.0017593800000000 ] - [ 0.0003714500000000, 0.0000000000000000, -0.0016067900000000 ] - [ 0.0012725100000000, 0.0000000000000000, -0.0001825300000000 ] - [ 0.0003044100000000, 0.0001870800000000, -0.0007456500000000 ] - [ 0.0011417800000000, -0.0002027900000000, -0.0002560200000000 ] - [ 0.0003044100000000, -0.0001870800000000, -0.0007456500000000 ] - [ 0.0011417800000000, 0.0002027900000000, -0.0002560200000000 ] - [ -0.0063609200000000, 0.0000000000000000, 0.0017467900000000 ] - [ 0.0008185500000000, 0.0000000000000000, 0.0006912600000000 ] - [ 0.0014420000000000, 0.0002693800000000, 0.0007018200000000 ] - [ 0.0010824000000000, -0.0002678100000000, 0.0007194700000000 ] - [ 0.0014420000000000, -0.0002693800000000, 0.0007018200000000 ] - [ 0.0010824000000000, 0.0002678100000000, 0.0007194700000000 ] - [ -0.0042448100000000, -0.0016158600000000, -0.0022946800000000 ] - [ -0.0021785400000000, 0.0003978800000000, -0.0004510000000000 ] - [ -0.0012598100000000, 0.0000000000000000, -0.0006208800000000 ] - [ -0.0018280400000000, 0.0000000000000000, -0.0006781200000000 ] - [ -0.0042448100000000, 0.0016158600000000, -0.0022946800000000 ] - [ -0.0021785400000000, -0.0003978800000000, -0.0004510000000000 ] - [ 0.0013030000000000, 0.0000000000000000, 0.0000988600000000 ] - [ -0.0001648500000000, 0.0000000000000000, 0.0004065800000000 ] - [ 0.0003976400000000, -0.0007115300000000, -0.0000152000000000 ] - [ -0.0001363600000000, 0.0000243900000000, 0.0004651300000000 ] - [ 0.0003976400000000, 0.0007115300000000, -0.0000152000000000 ] - [ -0.0001363600000000, -0.0000243900000000, 0.0004651300000000 ] - [ -0.0016576300000000, 0.0044698600000000, -0.0041460500000000 ] - [ -0.0003397700000000, -0.0000122400000000, -0.0006490100000000 ] - [ 0.0003251500000000, 0.0000000000000000, -0.0006368900000000 ] - [ -0.0003181000000000, 0.0000000000000000, -0.0006144200000000 ] - [ -0.0016576300000000, -0.0044698600000000, -0.0041460500000000 ] - [ -0.0003397700000000, 0.0000122400000000, -0.0006490100000000 ] - [ -0.0008123500000000, 0.0000000000000000, 0.0000140600000000 ] - [ -0.0007436900000000, 0.0000000000000000, -0.0004730100000000 ] - [ -0.0005300100000000, 0.0001881800000000, -0.0002589200000000 ] - [ -0.0005234100000000, -0.0000938700000000, -0.0004010800000000 ] - [ -0.0005300100000000, -0.0001881800000000, -0.0002589200000000 ] - [ -0.0005234100000000, 0.0000938700000000, -0.0004010800000000 ] - [ 0.0001801900000000, -0.0003614700000000, 0.0006064000000000 ] - [ 0.0000261300000000, 0.0000591000000000, -0.0000830800000000 ] - [ 0.0004823800000000, 0.0000000000000000, 0.0003199100000000 ] - [ 0.0004078600000000, 0.0000000000000000, 0.0001815400000000 ] - [ 0.0001801900000000, 0.0003614700000000, 0.0006064000000000 ] - [ 0.0000261300000000, -0.0000591000000000, -0.0000830800000000 ] - [ 0.0002514900000000, 0.0000000000000000, -0.0006541100000000 ] - [ -0.0009581700000000, 0.0000000000000000, -0.0008921800000000 ] - [ 0.0003212600000000, -0.0003427700000000, -0.0001681700000000 ] - [ -0.0009235800000000, -0.0000126000000000, -0.0008774500000000 ] - [ 0.0003212600000000, 0.0003427700000000, -0.0001681700000000 ] - [ -0.0009235800000000, 0.0000126000000000, -0.0008774500000000 ] - [ 0.0010813300000000, -0.0000913100000000, 0.0012352700000000 ] - [ 0.0001563500000000, 0.0000434600000000, 0.0004165200000000 ] - [ 0.0012006500000000, 0.0000000000000000, 0.0009792700000000 ] - [ 0.0002097600000000, 0.0000000000000000, 0.0004557900000000 ] - [ 0.0010813300000000, 0.0000913100000000, 0.0012352700000000 ] - [ 0.0001563500000000, -0.0000434600000000, 0.0004165200000000 ] - [ -0.0045203000000000, 0.0000000000000000, 0.0077108900000000 ] - [ 0.0020321600000000, 0.0000000000000000, 0.0013574300000000 ] - [ 0.0029007700000000, -0.0004087900000000, 0.0019185300000000 ] - [ 0.0022692600000000, 0.0001954900000000, 0.0014922800000000 ] - [ 0.0029007700000000, 0.0004087900000000, 0.0019185300000000 ] - [ 0.0022692600000000, -0.0001954900000000, 0.0014922800000000 ] - [ -0.0027063400000000, 0.0001712000000000, -0.0014155300000000 ] - [ -0.0034003500000000, -0.0001286300000000, -0.0020566000000000 ] - [ -0.0025748800000000, 0.0000000000000000, -0.0015340800000000 ] - [ -0.0033613700000000, 0.0000000000000000, -0.0020409300000000 ] - [ -0.0027063400000000, -0.0001712000000000, -0.0014155300000000 ] - [ -0.0034003500000000, 0.0001286300000000, -0.0020566000000000 ] - [ 0.0734816300000000, 0.0000000000000000, -0.0016735000000000 ] - [ 0.0009560100000000, 0.0000000000000000, 0.0020392400000000 ] - [ 0.0020588000000000, -0.0004856200000000, 0.0022718800000000 ] - [ 0.0010288900000000, 0.0000188000000000, 0.0020424900000000 ] - [ 0.0020588000000000, 0.0004856200000000, 0.0022718800000000 ] - [ 0.0010288900000000, -0.0000188000000000, 0.0020424900000000 ] - [ -0.0018972600000000, 0.0031615500000000, 0.0011856600000000 ] - [ -0.0016365900000000, -0.0000083200000000, -0.0022111700000000 ] - [ -0.0008858200000000, 0.0000000000000000, -0.0018141400000000 ] - [ -0.0015631800000000, 0.0000000000000000, -0.0022020500000000 ] - [ -0.0018972600000000, -0.0031615500000000, 0.0011856600000000 ] - [ -0.0016365900000000, 0.0000083200000000, -0.0022111700000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010160300000000, 0.0023069600000000, 0.0005630900000000 ] - [ 0.0010082100000000, 0.0002413400000000, 0.0005622900000000 ] - [ 0.0015045000000000, -0.0011757200000000, -0.0000327000000000 ] - [ 0.0009436400000000, -0.0001147300000000, 0.0005558500000000 ] - [ 0.0005274600000000, -0.0011803500000000, 0.0011640100000000 ] - [ 0.0010738100000000, -0.0001193500000000, 0.0005672300000000 ] - [ -0.0011747600000000, 0.0078625800000000, -0.0026154600000000 ] - [ -0.0010103000000000, 0.0000514000000000, -0.0005779700000000 ] - [ -0.0010130300000000, -0.0028600600000000, -0.0005540100000000 ] - [ -0.0010145400000000, -0.0000952500000000, -0.0005614900000000 ] - [ -0.0007993000000000, 0.0076253300000000, 0.0012160300000000 ] - [ -0.0010215900000000, 0.0000471900000000, -0.0005474300000000 ] - [ -0.0004177200000000, 0.0006078200000000, 0.0018492100000000 ] - [ -0.0008218400000000, 0.0001612800000000, 0.0004682300000000 ] - [ -0.0007129600000000, -0.0011030100000000, 0.0005713700000000 ] - [ -0.0007185700000000, -0.0003255600000000, 0.0005635700000000 ] - [ -0.0010150500000000, 0.0006015900000000, -0.0007181600000000 ] - [ -0.0006145300000000, 0.0001607100000000, 0.0006557000000000 ] - [ 0.0021039500000000, 0.0007261300000000, 0.0011474800000000 ] - [ 0.0021043400000000, 0.0021899000000000, 0.0011382200000000 ] - [ 0.0023168500000000, -0.0003005500000000, 0.0011236300000000 ] - [ 0.0014603800000000, -0.0010331900000000, 0.0007724300000000 ] - [ 0.0018963100000000, -0.0003053600000000, 0.0011543100000000 ] - [ 0.0027460000000000, -0.0010355700000000, 0.0015054900000000 ] - [ -0.0028626400000000, 0.0006019400000000, -0.0003545900000000 ] - [ -0.0018251900000000, 0.0002270200000000, -0.0012307200000000 ] - [ -0.0021090700000000, -0.0010600500000000, -0.0011396700000000 ] - [ -0.0021087300000000, -0.0004561900000000, -0.0011372600000000 ] - [ -0.0013444400000000, 0.0005928600000000, -0.0019209000000000 ] - [ -0.0023959600000000, 0.0002089700000000, -0.0010544300000000 ] - [ 0.0003050100000000, 0.0071761400000000, 0.0018779400000000 ] - [ 0.0002608300000000, 0.0000922500000000, 0.0018610400000000 ] - [ 0.0013774400000000, -0.0018651400000000, 0.0017130300000000 ] - [ 0.0001216200000000, -0.0000426800000000, 0.0018791100000000 ] - [ -0.0008316600000000, -0.0018851600000000, 0.0020155600000000 ] - [ 0.0004078500000000, -0.0000516300000000, 0.0018428000000000 ] - [ 0.0001551300000000, 0.0100749000000000, 0.0041593500000000 ] - [ -0.0002338600000000, 0.0000439500000000, -0.0018581000000000 ] - [ -0.0002620600000000, -0.0058170200000000, -0.0018707500000000 ] - [ -0.0002680700000000, -0.0000903500000000, -0.0018654200000000 ] - [ -0.0006198800000000, 0.0096252700000000, -0.0073440900000000 ] - [ -0.0003034300000000, 0.0000384200000000, -0.0018723000000000 ] - [ 0.0007175300000000, 0.0007621600000000, -0.0005694900000000 ] - [ 0.0007189600000000, 0.0004314000000000, -0.0005679200000000 ] - [ 0.0002322800000000, -0.0003572400000000, -0.0014993100000000 ] - [ 0.0008678100000000, -0.0002299300000000, -0.0005146100000000 ] - [ 0.0012008200000000, -0.0003616300000000, 0.0003715100000000 ] - [ 0.0005638400000000, -0.0002329100000000, -0.0006206600000000 ] - [ 0.0015729200000000, 0.0000770600000000, 0.0006830600000000 ] - [ 0.0015378500000000, -0.0004541600000000, 0.0006882800000000 ] - [ 0.0010021600000000, 0.0002173200000000, 0.0006993600000000 ] - [ 0.0017467000000000, 0.0002397000000000, 0.0005955400000000 ] - [ 0.0020658600000000, 0.0002185500000000, 0.0006790600000000 ] - [ 0.0013275700000000, 0.0002393000000000, 0.0007811300000000 ] - [ 0.0020288900000000, 0.0004771200000000, 0.0004527300000000 ] - [ -0.0016107500000000, -0.0000829700000000, -0.0006532700000000 ] - [ -0.0015352000000000, 0.0006385400000000, -0.0006886700000000 ] - [ -0.0015367400000000, 0.0001790600000000, -0.0006892900000000 ] - [ -0.0050876400000000, 0.0004791800000000, -0.0018266800000000 ] - [ -0.0014552800000000, -0.0000809600000000, -0.0007270300000000 ] - [ 0.0001082900000000, -0.0035667700000000, 0.0005301200000000 ] - [ 0.0001080900000000, -0.0000350900000000, 0.0005428200000000 ] - [ -0.0003711700000000, 0.0059348300000000, 0.0037684000000000 ] - [ 0.0000717000000000, 0.0000228400000000, 0.0004869800000000 ] - [ 0.0005856300000000, 0.0059113400000000, -0.0026728100000000 ] - [ 0.0001455400000000, 0.0000181400000000, 0.0005955300000000 ] - [ -0.0037662500000000, 0.0016376200000000, -0.0031521800000000 ] - [ -0.0000753900000000, -0.0000243400000000, -0.0005057500000000 ] - [ -0.0001096600000000, 0.0012706900000000, -0.0005424100000000 ] - [ -0.0001096500000000, 0.0000544800000000, -0.0005417400000000 ] - [ 0.0035350700000000, 0.0016540200000000, 0.0020595100000000 ] - [ -0.0001444100000000, -0.0000243100000000, -0.0005783200000000 ] - [ -0.0004942800000000, -0.0005142600000000, -0.0002664200000000 ] - [ -0.0004972500000000, -0.0002031100000000, -0.0002637300000000 ] - [ -0.0006529000000000, 0.0002462700000000, -0.0002972300000000 ] - [ -0.0002041200000000, 0.0000889200000000, -0.0000103300000000 ] - [ -0.0003387100000000, 0.0002470900000000, -0.0002358800000000 ] - [ -0.0007890500000000, 0.0000890400000000, -0.0005173200000000 ] - [ 0.0005777100000000, -0.0003210500000000, 0.0001933800000000 ] - [ -0.0000725600000000, -0.0001415100000000, 0.0000295800000000 ] - [ 0.0004985200000000, 0.0005049500000000, 0.0002651500000000 ] - [ 0.0004930200000000, 0.0001387800000000, 0.0002657000000000 ] - [ 0.0004185000000000, -0.0003185200000000, 0.0003357400000000 ] - [ 0.0010629600000000, -0.0001420400000000, 0.0005027500000000 ] - [ -0.0005833100000000, -0.0023026100000000, -0.0006657000000000 ] - [ -0.0005819800000000, -0.0000951800000000, -0.0006712700000000 ] - [ -0.0016694200000000, 0.0017532000000000, -0.0014796300000000 ] - [ -0.0005503000000000, 0.0000473400000000, -0.0006407500000000 ] - [ 0.0005029400000000, 0.0017507300000000, 0.0001330500000000 ] - [ -0.0006137700000000, 0.0000457200000000, -0.0006997000000000 ] - [ 0.0014975300000000, -0.0007487300000000, -0.0004732300000000 ] - [ 0.0005299800000000, -0.0000449300000000, 0.0006301900000000 ] - [ 0.0005824900000000, 0.0012517300000000, 0.0006699900000000 ] - [ 0.0005813400000000, 0.0000848100000000, 0.0006714600000000 ] - [ -0.0003294900000000, -0.0007460600000000, 0.0018099200000000 ] - [ 0.0006321200000000, -0.0000447200000000, 0.0007131700000000 ] - [ 0.0027385700000000, -0.0026413000000000, 0.0017483000000000 ] - [ 0.0027576600000000, -0.0001360400000000, 0.0017336200000000 ] - [ 0.0037236500000000, 0.0009278600000000, 0.0018202000000000 ] - [ 0.0026992200000000, 0.0000866700000000, 0.0017341300000000 ] - [ 0.0017920000000000, 0.0009267500000000, 0.0016474600000000 ] - [ 0.0028117600000000, 0.0000868900000000, 0.0017356400000000 ] - [ -0.0032778400000000, -0.0003399600000000, -0.0015991600000000 ] - [ -0.0024883800000000, -0.0001757700000000, -0.0015820600000000 ] - [ -0.0027576200000000, 0.0006044400000000, -0.0017335900000000 ] - [ -0.0027542000000000, 0.0004115300000000, -0.0017323600000000 ] - [ -0.0022363100000000, -0.0003377000000000, -0.0018697700000000 ] - [ -0.0030216400000000, -0.0001749600000000, -0.0018795900000000 ] - [ 0.0011686900000000, -0.0614528300000000, 0.0018515400000000 ] - [ 0.0013023200000000, -0.0000505100000000, 0.0021288000000000 ] - [ 0.0008222800000000, 0.0056272100000000, 0.0019401800000000 ] - [ 0.0013241200000000, 0.0000264800000000, 0.0021333600000000 ] - [ 0.0017821200000000, 0.0055770100000000, 0.0023156000000000 ] - [ 0.0012840300000000, 0.0000230100000000, 0.0021243600000000 ] - [ -0.0044514900000000, 0.0017631900000000, 0.0007144700000000 ] - [ -0.0012973500000000, -0.0000355900000000, -0.0021475200000000 ] - [ -0.0013037000000000, 0.0014763000000000, -0.0021294700000000 ] - [ -0.0013025500000000, 0.0000759300000000, -0.0021295000000000 ] - [ 0.0018298000000000, 0.0017807300000000, -0.0049664400000000 ] - [ -0.0013107000000000, -0.0000352800000000, -0.0021124300000000 ]- atom: 109 displacement: [ -0.0032259099543045, 0.0000000000000000, 0.0094653845651785 ] forces: - [ 0.0032200100000000, 0.0000000000000000, -0.0020674200000000 ] - [ 0.0008799300000000, 0.0000000000000000, 0.0006495500000000 ] - [ 0.0021766000000000, -0.0003838500000000, -0.0009549400000000 ] - [ 0.0009062500000000, 0.0000027500000000, 0.0006487000000000 ] - [ 0.0021766000000000, 0.0003838500000000, -0.0009549400000000 ] - [ 0.0009062500000000, -0.0000027500000000, 0.0006487000000000 ] - [ -0.0029106200000000, -0.0019217100000000, 0.0050832300000000 ] - [ -0.0010220800000000, -0.0000069600000000, -0.0006558000000000 ] - [ -0.0007637600000000, 0.0000000000000000, -0.0001416100000000 ] - [ -0.0010390800000000, 0.0000000000000000, -0.0006565100000000 ] - [ -0.0029106200000000, 0.0019217100000000, 0.0050832300000000 ] - [ -0.0010220800000000, 0.0000069600000000, -0.0006558000000000 ] - [ -0.0018122600000000, 0.0004932600000000, -0.0001404800000000 ] - [ -0.0006287700000000, -0.0000750100000000, 0.0003289100000000 ] - [ -0.0013279800000000, 0.0000000000000000, 0.0005593900000000 ] - [ -0.0007221300000000, 0.0000000000000000, 0.0004400500000000 ] - [ -0.0018122600000000, -0.0004932600000000, -0.0001404800000000 ] - [ -0.0006287700000000, 0.0000750100000000, 0.0003289100000000 ] - [ 0.0025852700000000, 0.0000000000000000, 0.0005882000000000 ] - [ 0.0014360400000000, 0.0000000000000000, 0.0011565500000000 ] - [ 0.0022474200000000, -0.0001142800000000, 0.0009027900000000 ] - [ 0.0017338900000000, -0.0002084500000000, 0.0011535700000000 ] - [ 0.0022474200000000, 0.0001142800000000, 0.0009027900000000 ] - [ 0.0017338900000000, 0.0002084500000000, 0.0011535700000000 ] - [ -0.0009981600000000, 0.0012585600000000, 0.0003877300000000 ] - [ -0.0020039000000000, -0.0003037400000000, -0.0007823800000000 ] - [ -0.0017526400000000, 0.0000000000000000, -0.0006915700000000 ] - [ -0.0020979300000000, 0.0000000000000000, -0.0010631700000000 ] - [ -0.0009981600000000, -0.0012585600000000, 0.0003877300000000 ] - [ -0.0020039000000000, 0.0003037400000000, -0.0007823800000000 ] - [ -0.0109249600000000, 0.0000000000000000, 0.0073013900000000 ] - [ 0.0004450600000000, 0.0000000000000000, 0.0017719000000000 ] - [ 0.0003579300000000, -0.0003213700000000, 0.0037809600000000 ] - [ 0.0003708200000000, 0.0000181800000000, 0.0017871800000000 ] - [ 0.0003579300000000, 0.0003213700000000, 0.0037809600000000 ] - [ 0.0003708200000000, -0.0000181800000000, 0.0017871800000000 ] - [ -0.0010652900000000, 0.0051617100000000, 0.0102310000000000 ] - [ -0.0001956200000000, 0.0000199400000000, -0.0019149300000000 ] - [ -0.0004954700000000, 0.0000000000000000, 0.0000550800000000 ] - [ -0.0002585900000000, 0.0000000000000000, -0.0019072200000000 ] - [ -0.0010652900000000, -0.0051617100000000, 0.0102310000000000 ] - [ -0.0001956200000000, -0.0000199400000000, -0.0019149300000000 ] - [ 0.0007409100000000, 0.0000000000000000, -0.0046584300000000 ] - [ 0.0004660900000000, 0.0000000000000000, -0.0005813300000000 ] - [ 0.0005145000000000, 0.0004163000000000, -0.0021868700000000 ] - [ 0.0004932400000000, 0.0000515500000000, -0.0005670000000000 ] - [ 0.0005145000000000, -0.0004163000000000, -0.0021868700000000 ] - [ 0.0004932400000000, -0.0000515500000000, -0.0005670000000000 ] - [ -0.0004194500000000, 0.0000000000000000, 0.0010958200000000 ] - [ 0.0012842600000000, 0.0000000000000000, 0.0001717700000000 ] - [ 0.0013363000000000, 0.0000583100000000, 0.0005476800000000 ] - [ 0.0013914900000000, -0.0000611400000000, 0.0003188000000000 ] - [ 0.0013363000000000, -0.0000583100000000, 0.0005476800000000 ] - [ 0.0013914900000000, 0.0000611400000000, 0.0003188000000000 ] - [ -0.0000071000000000, 0.0002623900000000, -0.0013690200000000 ] - [ -0.0016489900000000, 0.0000924300000000, -0.0005865200000000 ] - [ -0.0012254900000000, 0.0000000000000000, -0.0009312700000000 ] - [ -0.0015460600000000, 0.0000000000000000, -0.0006123500000000 ] - [ -0.0000071000000000, -0.0002623900000000, -0.0013690200000000 ] - [ -0.0016489900000000, -0.0000924300000000, -0.0005865200000000 ] - [ -0.0003111300000000, 0.0000000000000000, 0.0106034900000000 ] - [ 0.0001889900000000, 0.0000000000000000, 0.0006622300000000 ] - [ -0.0005347200000000, 0.0035452300000000, 0.0040427800000000 ] - [ 0.0001584600000000, -0.0000039200000000, 0.0006302300000000 ] - [ -0.0005347200000000, -0.0035452300000000, 0.0040427800000000 ] - [ 0.0001584600000000, 0.0000039200000000, 0.0006302300000000 ] - [ 0.0025269000000000, -0.0010105700000000, -0.0017857500000000 ] - [ -0.0001192300000000, -0.0000069000000000, -0.0005127700000000 ] - [ -0.0000971100000000, 0.0000000000000000, -0.0012241400000000 ] - [ -0.0000972600000000, 0.0000000000000000, -0.0005123800000000 ] - [ 0.0025269000000000, 0.0010105700000000, -0.0017857500000000 ] - [ -0.0001192300000000, 0.0000069000000000, -0.0005127700000000 ] - [ -0.0003385100000000, 0.0000000000000000, 0.0001612900000000 ] - [ -0.0002568600000000, 0.0000000000000000, 0.0000294500000000 ] - [ -0.0003193400000000, -0.0000170200000000, 0.0000408100000000 ] - [ -0.0003104600000000, -0.0000310900000000, -0.0000449000000000 ] - [ -0.0003193400000000, 0.0000170200000000, 0.0000408100000000 ] - [ -0.0003104600000000, 0.0000310900000000, -0.0000449000000000 ] - [ 0.0001152600000000, -0.0002607000000000, 0.0007971100000000 ] - [ 0.0007479100000000, 0.0000342900000000, 0.0002094100000000 ] - [ 0.0003925600000000, 0.0000000000000000, 0.0005201400000000 ] - [ 0.0006129000000000, 0.0000000000000000, 0.0001437600000000 ] - [ 0.0001152600000000, 0.0002607000000000, 0.0007971100000000 ] - [ 0.0007479100000000, -0.0000342900000000, 0.0002094100000000 ] - [ 0.0007190800000000, 0.0000000000000000, 0.0027693500000000 ] - [ -0.0005040300000000, 0.0000000000000000, -0.0006110400000000 ] - [ 0.0005659800000000, -0.0017318300000000, 0.0006067200000000 ] - [ -0.0005136100000000, -0.0000031700000000, -0.0006128100000000 ] - [ 0.0005659800000000, 0.0017318300000000, 0.0006067200000000 ] - [ -0.0005136100000000, 0.0000031700000000, -0.0006128100000000 ] - [ -0.0005786800000000, 0.0003257600000000, 0.0025022600000000 ] - [ 0.0006953100000000, -0.0000027600000000, 0.0006689000000000 ] - [ 0.0001202800000000, 0.0000000000000000, 0.0015737300000000 ] - [ 0.0006530100000000, 0.0000000000000000, 0.0006474900000000 ] - [ -0.0005786800000000, -0.0003257600000000, 0.0025022600000000 ] - [ 0.0006953100000000, 0.0000027600000000, 0.0006689000000000 ] - [ -0.0069002000000000, 0.0000000000000000, 0.0068234700000000 ] - [ 0.0026868400000000, 0.0000000000000000, 0.0016268300000000 ] - [ 0.0016945400000000, -0.0009924400000000, 0.0015682300000000 ] - [ 0.0026977600000000, 0.0000283000000000, 0.0016644800000000 ] - [ 0.0016945400000000, 0.0009924400000000, 0.0015682300000000 ] - [ 0.0026977600000000, -0.0000283000000000, 0.0016644800000000 ] - [ -0.0032299400000000, -0.0001871100000000, -0.0010999200000000 ] - [ -0.0025790300000000, 0.0000319300000000, -0.0016800000000000 ] - [ -0.0029182700000000, 0.0000000000000000, -0.0014291000000000 ] - [ -0.0025995400000000, 0.0000000000000000, -0.0017144500000000 ] - [ -0.0032299400000000, 0.0001871100000000, -0.0010999200000000 ] - [ -0.0025790300000000, -0.0000319300000000, -0.0016800000000000 ] - [ 0.0276878100000000, 0.0000000000000000, -0.0638033800000000 ] - [ 0.0012901100000000, 0.0000000000000000, 0.0021610600000000 ] - [ 0.0014193300000000, 0.0000193200000000, 0.0000412000000000 ] - [ 0.0013102600000000, 0.0000006300000000, 0.0021589200000000 ] - [ 0.0014193300000000, -0.0000193200000000, 0.0000412000000000 ] - [ 0.0013102600000000, -0.0000006300000000, 0.0021589200000000 ] - [ -0.0046355500000000, 0.0037117600000000, -0.0002119900000000 ] - [ -0.0013462700000000, -0.0000199700000000, -0.0021445600000000 ] - [ -0.0014817000000000, 0.0000000000000000, -0.0024705300000000 ] - [ -0.0013321400000000, 0.0000000000000000, -0.0021380000000000 ] - [ -0.0046355500000000, -0.0037117600000000, -0.0002119900000000 ] - [ -0.0013462700000000, 0.0000199700000000, -0.0021445600000000 ]- atom: 109 displacement: [ 0.0032259099543045, 0.0000000000000000, -0.0094653845651785 ] forces: - [ -0.0011675200000000, 0.0000000000000000, 0.0032978900000000 ] - [ 0.0011720800000000, 0.0000000000000000, 0.0005605600000000 ] - [ -0.0001271800000000, 0.0003828700000000, 0.0021696200000000 ] - [ 0.0011470000000000, -0.0000021200000000, 0.0005616300000000 ] - [ -0.0001271800000000, -0.0003828700000000, 0.0021696200000000 ] - [ 0.0011470000000000, 0.0000021200000000, 0.0005616300000000 ] - [ 0.0009257300000000, 0.0022155600000000, -0.0066205500000000 ] - [ -0.0010296100000000, 0.0000057500000000, -0.0005566200000000 ] - [ -0.0012899600000000, 0.0000000000000000, -0.0010779800000000 ] - [ -0.0010146700000000, 0.0000000000000000, -0.0005580200000000 ] - [ 0.0009257300000000, -0.0022155600000000, -0.0066205500000000 ] - [ -0.0010296100000000, -0.0000057500000000, -0.0005566200000000 ] - [ 0.0004523600000000, -0.0005029700000000, 0.0013057600000000 ] - [ -0.0007185100000000, 0.0000797700000000, 0.0008502300000000 ] - [ -0.0000404200000000, 0.0000000000000000, 0.0006108300000000 ] - [ -0.0006241300000000, 0.0000000000000000, 0.0007433300000000 ] - [ 0.0004523600000000, 0.0005029700000000, 0.0013057600000000 ] - [ -0.0007185100000000, -0.0000797700000000, 0.0008502300000000 ] - [ 0.0016698700000000, 0.0000000000000000, 0.0017560200000000 ] - [ 0.0028297000000000, 0.0000000000000000, 0.0012031900000000 ] - [ 0.0020161000000000, 0.0001105200000000, 0.0014451200000000 ] - [ 0.0025334700000000, 0.0002103900000000, 0.0011950200000000 ] - [ 0.0020161000000000, -0.0001105200000000, 0.0014451200000000 ] - [ 0.0025334700000000, -0.0002103900000000, 0.0011950200000000 ] - [ -0.0032591700000000, -0.0012627600000000, -0.0027534600000000 ] - [ -0.0022612200000000, 0.0003038400000000, -0.0015611200000000 ] - [ -0.0025055700000000, 0.0000000000000000, -0.0016558700000000 ] - [ -0.0021536100000000, 0.0000000000000000, -0.0012745500000000 ] - [ -0.0032591700000000, 0.0012627600000000, -0.0027534600000000 ] - [ -0.0022612200000000, -0.0003038400000000, -0.0015611200000000 ] - [ 0.0112880500000000, 0.0000000000000000, -0.0036915200000000 ] - [ 0.0000972600000000, 0.0000000000000000, 0.0019149000000000 ] - [ 0.0001690400000000, 0.0003253700000000, -0.0000895400000000 ] - [ 0.0001618300000000, -0.0000281600000000, 0.0018973100000000 ] - [ 0.0001690400000000, -0.0003253700000000, -0.0000895400000000 ] - [ 0.0001618300000000, 0.0000281600000000, 0.0018973100000000 ] - [ 0.0006058500000000, -0.0046988000000000, -0.0135643800000000 ] - [ -0.0003398500000000, -0.0000172200000000, -0.0017680300000000 ] - [ -0.0000417100000000, 0.0000000000000000, -0.0037390200000000 ] - [ -0.0002650800000000, 0.0000000000000000, -0.0017736300000000 ] - [ 0.0006058500000000, 0.0046988000000000, -0.0135643800000000 ] - [ -0.0003398500000000, 0.0000172200000000, -0.0017680300000000 ] - [ 0.0006041600000000, 0.0000000000000000, 0.0034838900000000 ] - [ 0.0009065200000000, 0.0000000000000000, -0.0005859600000000 ] - [ 0.0008288500000000, -0.0004197800000000, 0.0010105000000000 ] - [ 0.0008840600000000, -0.0000569900000000, -0.0006104400000000 ] - [ 0.0008288500000000, 0.0004197800000000, 0.0010105000000000 ] - [ 0.0008840600000000, 0.0000569900000000, -0.0006104400000000 ] - [ 0.0035222300000000, 0.0000000000000000, 0.0002472400000000 ] - [ 0.0017783700000000, 0.0000000000000000, 0.0011706100000000 ] - [ 0.0017202200000000, -0.0000609600000000, 0.0008004000000000 ] - [ 0.0016694800000000, 0.0000574800000000, 0.0010309800000000 ] - [ 0.0017202200000000, 0.0000609600000000, 0.0008004000000000 ] - [ 0.0016694800000000, -0.0000574800000000, 0.0010309800000000 ] - [ -0.0030782200000000, -0.0002751500000000, 0.0000135300000000 ] - [ -0.0014059700000000, -0.0000943200000000, -0.0007684200000000 ] - [ -0.0018382000000000, 0.0000000000000000, -0.0004088300000000 ] - [ -0.0015106900000000, 0.0000000000000000, -0.0007404400000000 ] - [ -0.0030782200000000, 0.0002751500000000, 0.0000135300000000 ] - [ -0.0014059700000000, 0.0000943200000000, -0.0007684200000000 ] - [ 0.0005170100000000, 0.0000000000000000, -0.0093671900000000 ] - [ 0.0000096700000000, 0.0000000000000000, 0.0004755300000000 ] - [ 0.0007208700000000, -0.0035510000000000, -0.0029011600000000 ] - [ 0.0000422900000000, -0.0000003400000000, 0.0005078400000000 ] - [ 0.0007208700000000, 0.0035510000000000, -0.0029011600000000 ] - [ 0.0000422900000000, 0.0000003400000000, 0.0005078400000000 ] - [ -0.0027195200000000, 0.0009914000000000, 0.0006773200000000 ] - [ -0.0000757800000000, 0.0000101600000000, -0.0006266000000000 ] - [ -0.0000997900000000, 0.0000000000000000, 0.0000928100000000 ] - [ -0.0000953200000000, 0.0000000000000000, -0.0006278400000000 ] - [ -0.0027195200000000, -0.0009914000000000, 0.0006773200000000 ] - [ -0.0000757800000000, -0.0000101600000000, -0.0006266000000000 ] - [ -0.0006497500000000, 0.0000000000000000, -0.0006590800000000 ] - [ -0.0007201200000000, 0.0000000000000000, -0.0005352100000000 ] - [ -0.0006660100000000, 0.0000144300000000, -0.0005438900000000 ] - [ -0.0006611700000000, 0.0000295000000000, -0.0004593900000000 ] - [ -0.0006660100000000, -0.0000144300000000, -0.0005438900000000 ] - [ -0.0006611700000000, -0.0000295000000000, -0.0004593900000000 ] - [ 0.0008630400000000, 0.0002627400000000, -0.0002926900000000 ] - [ 0.0002317300000000, -0.0000388300000000, 0.0002886900000000 ] - [ 0.0005884000000000, 0.0000000000000000, -0.0000219800000000 ] - [ 0.0003682700000000, 0.0000000000000000, 0.0003506100000000 ] - [ 0.0008630400000000, -0.0002627400000000, -0.0002926900000000 ] - [ 0.0002317300000000, 0.0000388300000000, 0.0002886900000000 ] - [ -0.0019110600000000, 0.0000000000000000, -0.0041207200000000 ] - [ -0.0006762300000000, 0.0000000000000000, -0.0007076100000000 ] - [ -0.0017571000000000, 0.0017461200000000, -0.0019312000000000 ] - [ -0.0006659400000000, 0.0000046700000000, -0.0007049700000000 ] - [ -0.0017571000000000, -0.0017461200000000, -0.0019312000000000 ] - [ -0.0006659400000000, -0.0000046700000000, -0.0007049700000000 ] - [ 0.0017617900000000, -0.0003255000000000, -0.0011909100000000 ] - [ 0.0004892700000000, 0.0000033100000000, 0.0006468100000000 ] - [ 0.0010605200000000, 0.0000000000000000, -0.0002598400000000 ] - [ 0.0005245000000000, 0.0000000000000000, 0.0006661500000000 ] - [ 0.0017617900000000, 0.0003255000000000, -0.0011909100000000 ] - [ 0.0004892700000000, -0.0000033100000000, 0.0006468100000000 ] - [ 0.0125063100000000, 0.0000000000000000, -0.0034330800000000 ] - [ 0.0027963700000000, 0.0000000000000000, 0.0018259100000000 ] - [ 0.0037895700000000, 0.0009978100000000, 0.0018782100000000 ] - [ 0.0027815400000000, -0.0000331300000000, 0.0017822300000000 ] - [ 0.0037895700000000, -0.0009978100000000, 0.0018782100000000 ] - [ 0.0027815400000000, 0.0000331300000000, 0.0017822300000000 ] - [ -0.0022490900000000, 0.0001888500000000, -0.0023525200000000 ] - [ -0.0029035000000000, -0.0000331300000000, -0.0017677200000000 ] - [ -0.0025598400000000, 0.0000000000000000, -0.0020252700000000 ] - [ -0.0028793700000000, 0.0000000000000000, -0.0017369800000000 ] - [ -0.0022490900000000, -0.0001888500000000, -0.0023525200000000 ] - [ -0.0029035000000000, 0.0000331300000000, -0.0017677200000000 ] - [ -0.0253055700000000, 0.0000000000000000, 0.0680951000000000 ] - [ 0.0013420000000000, 0.0000000000000000, 0.0020780100000000 ] - [ 0.0012090500000000, -0.0000274900000000, 0.0042117400000000 ] - [ 0.0013212400000000, -0.0000033900000000, 0.0020837000000000 ] - [ 0.0012090500000000, 0.0000274900000000, 0.0042117400000000 ] - [ 0.0013212400000000, 0.0000033900000000, 0.0020837000000000 ] - [ 0.0019847700000000, -0.0036926600000000, -0.0040367000000000 ] - [ -0.0012825600000000, 0.0000182400000000, -0.0021009000000000 ] - [ -0.0011504300000000, 0.0000000000000000, -0.0017767300000000 ] - [ -0.0012997900000000, 0.0000000000000000, -0.0021060700000000 ] - [ 0.0019847700000000, 0.0036926600000000, -0.0040367000000000 ] - [ -0.0012825600000000, -0.0000182400000000, -0.0021009000000000 ]