# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/18b1426b-e08c-45f7-aa06-e26a3cfeea9a/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 Ba2HgS3 / Pnma (62) / materials id 18008](https://mdr.nims.go.jp/datasets/413b93db-a67b-4b52-81c4-98742215c33e) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.879353090000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.328464600000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 17.170659789999998 ] # c points: - symbol: S # 1 coordinates: [ 0.811571660000000, 0.250000000000000, 0.721711110000000 ] mass: 32.065000 - symbol: S # 2 coordinates: [ 0.188428340000000, 0.750000000000000, 0.278288890000000 ] mass: 32.065000 - symbol: S # 3 coordinates: [ 0.311571660000000, 0.250000000000000, 0.778288890000000 ] mass: 32.065000 - symbol: S # 4 coordinates: [ 0.688428340000000, 0.750000000000000, 0.221711110000000 ] mass: 32.065000 - symbol: S # 5 coordinates: [ 0.984844090000000, 0.250000000000000, 0.095701660000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.015155910000000, 0.750000000000000, 0.904298340000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.484844090000000, 0.250000000000000, 0.404298340000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.515155910000000, 0.750000000000000, 0.595701660000000 ] mass: 32.065000 - symbol: S # 9 coordinates: [ 0.614786910000000, 0.250000000000000, 0.928072540000000 ] mass: 32.065000 - symbol: S # 10 coordinates: [ 0.885213090000000, 0.750000000000000, 0.428072540000000 ] mass: 32.065000 - symbol: S # 11 coordinates: [ 0.114786910000000, 0.250000000000000, 0.571927460000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.385213090000000, 0.750000000000000, 0.071927460000000 ] mass: 32.065000 - symbol: Ba # 13 coordinates: [ 0.258382450000000, 0.250000000000000, 0.960537270000000 ] mass: 137.327000 - symbol: Ba # 14 coordinates: [ 0.423647520000000, 0.250000000000000, 0.215095990000000 ] mass: 137.327000 - symbol: Ba # 15 coordinates: [ 0.076352480000000, 0.750000000000000, 0.715095990000000 ] mass: 137.327000 - symbol: Ba # 16 coordinates: [ 0.923647520000000, 0.250000000000000, 0.284904010000000 ] mass: 137.327000 - symbol: Ba # 17 coordinates: [ 0.758382450000000, 0.250000000000000, 0.539462730000000 ] mass: 137.327000 - symbol: Ba # 18 coordinates: [ 0.241617550000000, 0.750000000000000, 0.460537270000000 ] mass: 137.327000 - symbol: Ba # 19 coordinates: [ 0.741617550000000, 0.750000000000000, 0.039462730000000 ] mass: 137.327000 - symbol: Ba # 20 coordinates: [ 0.576352480000000, 0.750000000000000, 0.784904010000000 ] mass: 137.327000 - symbol: Hg # 21 coordinates: [ 0.624392820000000, 0.750000000000000, 0.366794410000000 ] mass: 200.590000 - symbol: Hg # 22 coordinates: [ 0.375607180000000, 0.250000000000000, 0.633205590000000 ] mass: 200.590000 - symbol: Hg # 23 coordinates: [ 0.124392820000000, 0.750000000000000, 0.133205590000000 ] mass: 200.590000 - symbol: Hg # 24 coordinates: [ 0.875607180000000, 0.250000000000000, 0.866794410000000 ] mass: 200.590000 reciprocal_lattice: # without 2pi - [ 0.112620817064501, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.231028804070617, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.058238880289410 ] # c*unit_cell: lattice: - [ 8.879353090000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.328464600000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 17.170659789999998 ] # c points: - symbol: S # 1 coordinates: [ 0.811571660000000, 0.250000000000000, 0.721711110000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.188428340000000, 0.750000000000000, 0.278288890000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.311571660000000, 0.250000000000000, 0.778288890000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.688428340000000, 0.750000000000000, 0.221711110000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.984844090000000, 0.250000000000000, 0.095701660000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.015155910000000, 0.750000000000000, 0.904298340000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 7 coordinates: [ 0.484844090000000, 0.250000000000000, 0.404298340000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.515155910000000, 0.750000000000000, 0.595701660000000 ] mass: 32.065000 reduced_to: 8 - symbol: S # 9 coordinates: [ 0.614786910000000, 0.250000000000000, 0.928072540000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.885213090000000, 0.750000000000000, 0.428072540000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.114786910000000, 0.250000000000000, 0.571927460000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.385213090000000, 0.750000000000000, 0.071927460000000 ] mass: 32.065000 reduced_to: 12 - symbol: Ba # 13 coordinates: [ 0.258382450000000, 0.250000000000000, 0.960537270000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 14 coordinates: [ 0.423647520000000, 0.250000000000000, 0.215095990000000 ] mass: 137.327000 reduced_to: 14 - symbol: Ba # 15 coordinates: [ 0.076352480000000, 0.750000000000000, 0.715095990000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 16 coordinates: [ 0.923647520000000, 0.250000000000000, 0.284904010000000 ] mass: 137.327000 reduced_to: 16 - symbol: Ba # 17 coordinates: [ 0.758382450000000, 0.250000000000000, 0.539462730000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 18 coordinates: [ 0.241617550000000, 0.750000000000000, 0.460537270000000 ] mass: 137.327000 reduced_to: 18 - symbol: Ba # 19 coordinates: [ 0.741617550000000, 0.750000000000000, 0.039462730000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 20 coordinates: [ 0.576352480000000, 0.750000000000000, 0.784904010000000 ] mass: 137.327000 reduced_to: 20 - symbol: Hg # 21 coordinates: [ 0.624392820000000, 0.750000000000000, 0.366794410000000 ] mass: 200.590000 reduced_to: 21 - symbol: Hg # 22 coordinates: [ 0.375607180000000, 0.250000000000000, 0.633205590000000 ] mass: 200.590000 reduced_to: 22 - symbol: Hg # 23 coordinates: [ 0.124392820000000, 0.750000000000000, 0.133205590000000 ] mass: 200.590000 reduced_to: 23 - symbol: Hg # 24 coordinates: [ 0.875607180000000, 0.250000000000000, 0.866794410000000 ] mass: 200.590000 reduced_to: 24supercell: lattice: - [ 17.758706180000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.985393800000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 17.170659789999998 ] # c points: - symbol: S # 1 coordinates: [ 0.405785830000000, 0.083333333333333, 0.721711110000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.905785830000000, 0.083333333333333, 0.721711110000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 3 coordinates: [ 0.405785830000000, 0.416666666666667, 0.721711110000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 4 coordinates: [ 0.905785830000000, 0.416666666666667, 0.721711110000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 5 coordinates: [ 0.405785830000000, 0.750000000000000, 0.721711110000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 6 coordinates: [ 0.905785830000000, 0.750000000000000, 0.721711110000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 7 coordinates: [ 0.094214170000000, 0.250000000000000, 0.278288890000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.594214170000000, 0.250000000000000, 0.278288890000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 9 coordinates: [ 0.094214170000000, 0.583333333333333, 0.278288890000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 10 coordinates: [ 0.594214170000000, 0.583333333333333, 0.278288890000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 11 coordinates: [ 0.094214170000000, 0.916666666666667, 0.278288890000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 12 coordinates: [ 0.594214170000000, 0.916666666666667, 0.278288890000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 13 coordinates: [ 0.155785830000000, 0.083333333333333, 0.778288890000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.655785830000000, 0.083333333333333, 0.778288890000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 15 coordinates: [ 0.155785830000000, 0.416666666666667, 0.778288890000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 16 coordinates: [ 0.655785830000000, 0.416666666666667, 0.778288890000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 17 coordinates: [ 0.155785830000000, 0.750000000000000, 0.778288890000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 18 coordinates: [ 0.655785830000000, 0.750000000000000, 0.778288890000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 19 coordinates: [ 0.344214170000000, 0.250000000000000, 0.221711110000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.844214170000000, 0.250000000000000, 0.221711110000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 21 coordinates: [ 0.344214170000000, 0.583333333333333, 0.221711110000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 22 coordinates: [ 0.844214170000000, 0.583333333333333, 0.221711110000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 23 coordinates: [ 0.344214170000000, 0.916666666666667, 0.221711110000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 24 coordinates: [ 0.844214170000000, 0.916666666666667, 0.221711110000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 25 coordinates: [ 0.492422045000000, 0.083333333333333, 0.095701660000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.992422045000000, 0.083333333333333, 0.095701660000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 27 coordinates: [ 0.492422045000000, 0.416666666666667, 0.095701660000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 28 coordinates: [ 0.992422045000000, 0.416666666666667, 0.095701660000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 29 coordinates: [ 0.492422045000000, 0.750000000000000, 0.095701660000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 30 coordinates: [ 0.992422045000000, 0.750000000000000, 0.095701660000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 31 coordinates: [ 0.007577955000000, 0.250000000000000, 0.904298340000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.507577955000000, 0.250000000000000, 0.904298340000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 33 coordinates: [ 0.007577955000000, 0.583333333333333, 0.904298340000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 34 coordinates: [ 0.507577955000000, 0.583333333333333, 0.904298340000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 35 coordinates: [ 0.007577955000000, 0.916666666666667, 0.904298340000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 36 coordinates: [ 0.507577955000000, 0.916666666666667, 0.904298340000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 37 coordinates: [ 0.242422045000000, 0.083333333333333, 0.404298340000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.742422045000000, 0.083333333333333, 0.404298340000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 39 coordinates: [ 0.242422045000000, 0.416666666666667, 0.404298340000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 40 coordinates: [ 0.742422045000000, 0.416666666666667, 0.404298340000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 41 coordinates: [ 0.242422045000000, 0.750000000000000, 0.404298340000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 42 coordinates: [ 0.742422045000000, 0.750000000000000, 0.404298340000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 43 coordinates: [ 0.257577955000000, 0.250000000000000, 0.595701660000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.757577955000000, 0.250000000000000, 0.595701660000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 45 coordinates: [ 0.257577955000000, 0.583333333333333, 0.595701660000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 46 coordinates: [ 0.757577955000000, 0.583333333333333, 0.595701660000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 47 coordinates: [ 0.257577955000000, 0.916666666666667, 0.595701660000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 48 coordinates: [ 0.757577955000000, 0.916666666666667, 0.595701660000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 49 coordinates: [ 0.307393455000000, 0.083333333333333, 0.928072540000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.807393455000000, 0.083333333333333, 0.928072540000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 51 coordinates: [ 0.307393455000000, 0.416666666666667, 0.928072540000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 52 coordinates: [ 0.807393455000000, 0.416666666666667, 0.928072540000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 53 coordinates: [ 0.307393455000000, 0.750000000000000, 0.928072540000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 54 coordinates: [ 0.807393455000000, 0.750000000000000, 0.928072540000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 55 coordinates: [ 0.442606545000000, 0.250000000000000, 0.428072540000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 56 coordinates: [ 0.942606545000000, 0.250000000000000, 0.428072540000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 57 coordinates: [ 0.442606545000000, 0.583333333333333, 0.428072540000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 58 coordinates: [ 0.942606545000000, 0.583333333333333, 0.428072540000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 59 coordinates: [ 0.442606545000000, 0.916666666666667, 0.428072540000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 60 coordinates: [ 0.942606545000000, 0.916666666666667, 0.428072540000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 61 coordinates: [ 0.057393455000000, 0.083333333333333, 0.571927460000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 62 coordinates: [ 0.557393455000000, 0.083333333333333, 0.571927460000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 63 coordinates: [ 0.057393455000000, 0.416666666666667, 0.571927460000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 64 coordinates: [ 0.557393455000000, 0.416666666666667, 0.571927460000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 65 coordinates: [ 0.057393455000000, 0.750000000000000, 0.571927460000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 66 coordinates: [ 0.557393455000000, 0.750000000000000, 0.571927460000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 67 coordinates: [ 0.192606545000000, 0.250000000000000, 0.071927460000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 68 coordinates: [ 0.692606545000000, 0.250000000000000, 0.071927460000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 69 coordinates: [ 0.192606545000000, 0.583333333333333, 0.071927460000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 70 coordinates: [ 0.692606545000000, 0.583333333333333, 0.071927460000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 71 coordinates: [ 0.192606545000000, 0.916666666666667, 0.071927460000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 72 coordinates: [ 0.692606545000000, 0.916666666666667, 0.071927460000000 ] mass: 32.065000 reduced_to: 67 - symbol: Ba # 73 coordinates: [ 0.129191225000000, 0.083333333333333, 0.960537270000000 ] mass: 137.327000 reduced_to: 73 - symbol: Ba # 74 coordinates: [ 0.629191225000000, 0.083333333333333, 0.960537270000000 ] mass: 137.327000 reduced_to: 73 - symbol: Ba # 75 coordinates: [ 0.129191225000000, 0.416666666666667, 0.960537270000000 ] mass: 137.327000 reduced_to: 73 - symbol: Ba # 76 coordinates: [ 0.629191225000000, 0.416666666666667, 0.960537270000000 ] mass: 137.327000 reduced_to: 73 - symbol: Ba # 77 coordinates: [ 0.129191225000000, 0.750000000000000, 0.960537270000000 ] mass: 137.327000 reduced_to: 73 - symbol: Ba # 78 coordinates: [ 0.629191225000000, 0.750000000000000, 0.960537270000000 ] mass: 137.327000 reduced_to: 73 - symbol: Ba # 79 coordinates: [ 0.211823760000000, 0.083333333333333, 0.215095990000000 ] mass: 137.327000 reduced_to: 79 - symbol: Ba # 80 coordinates: [ 0.711823760000000, 0.083333333333333, 0.215095990000000 ] mass: 137.327000 reduced_to: 79 - symbol: Ba # 81 coordinates: [ 0.211823760000000, 0.416666666666667, 0.215095990000000 ] mass: 137.327000 reduced_to: 79 - symbol: Ba # 82 coordinates: [ 0.711823760000000, 0.416666666666667, 0.215095990000000 ] mass: 137.327000 reduced_to: 79 - symbol: Ba # 83 coordinates: [ 0.211823760000000, 0.750000000000000, 0.215095990000000 ] mass: 137.327000 reduced_to: 79 - symbol: Ba # 84 coordinates: [ 0.711823760000000, 0.750000000000000, 0.215095990000000 ] mass: 137.327000 reduced_to: 79 - symbol: Ba # 85 coordinates: [ 0.038176240000000, 0.250000000000000, 0.715095990000000 ] mass: 137.327000 reduced_to: 85 - symbol: Ba # 86 coordinates: [ 0.538176240000000, 0.250000000000000, 0.715095990000000 ] mass: 137.327000 reduced_to: 85 - symbol: Ba # 87 coordinates: [ 0.038176240000000, 0.583333333333333, 0.715095990000000 ] mass: 137.327000 reduced_to: 85 - symbol: Ba # 88 coordinates: [ 0.538176240000000, 0.583333333333333, 0.715095990000000 ] mass: 137.327000 reduced_to: 85 - symbol: Ba # 89 coordinates: [ 0.038176240000000, 0.916666666666667, 0.715095990000000 ] mass: 137.327000 reduced_to: 85 - symbol: Ba # 90 coordinates: [ 0.538176240000000, 0.916666666666667, 0.715095990000000 ] mass: 137.327000 reduced_to: 85 - symbol: Ba # 91 coordinates: [ 0.461823760000000, 0.083333333333333, 0.284904010000000 ] mass: 137.327000 reduced_to: 91 - symbol: Ba # 92 coordinates: [ 0.961823760000000, 0.083333333333333, 0.284904010000000 ] mass: 137.327000 reduced_to: 91 - symbol: Ba # 93 coordinates: [ 0.461823760000000, 0.416666666666667, 0.284904010000000 ] mass: 137.327000 reduced_to: 91 - symbol: Ba # 94 coordinates: [ 0.961823760000000, 0.416666666666667, 0.284904010000000 ] mass: 137.327000 reduced_to: 91 - symbol: Ba # 95 coordinates: [ 0.461823760000000, 0.750000000000000, 0.284904010000000 ] mass: 137.327000 reduced_to: 91 - symbol: Ba # 96 coordinates: [ 0.961823760000000, 0.750000000000000, 0.284904010000000 ] mass: 137.327000 reduced_to: 91 - symbol: Ba # 97 coordinates: [ 0.379191225000000, 0.083333333333333, 0.539462730000000 ] mass: 137.327000 reduced_to: 97 - symbol: Ba # 98 coordinates: [ 0.879191225000000, 0.083333333333333, 0.539462730000000 ] mass: 137.327000 reduced_to: 97 - symbol: Ba # 99 coordinates: [ 0.379191225000000, 0.416666666666667, 0.539462730000000 ] mass: 137.327000 reduced_to: 97 - symbol: Ba # 100 coordinates: [ 0.879191225000000, 0.416666666666667, 0.539462730000000 ] mass: 137.327000 reduced_to: 97 - symbol: Ba # 101 coordinates: [ 0.379191225000000, 0.750000000000000, 0.539462730000000 ] mass: 137.327000 reduced_to: 97 - symbol: Ba # 102 coordinates: [ 0.879191225000000, 0.750000000000000, 0.539462730000000 ] mass: 137.327000 reduced_to: 97 - symbol: Ba # 103 coordinates: [ 0.120808775000000, 0.250000000000000, 0.460537270000000 ] mass: 137.327000 reduced_to: 103 - symbol: Ba # 104 coordinates: [ 0.620808775000000, 0.250000000000000, 0.460537270000000 ] mass: 137.327000 reduced_to: 103 - symbol: Ba # 105 coordinates: [ 0.120808775000000, 0.583333333333333, 0.460537270000000 ] mass: 137.327000 reduced_to: 103 - symbol: Ba # 106 coordinates: [ 0.620808775000000, 0.583333333333333, 0.460537270000000 ] mass: 137.327000 reduced_to: 103 - symbol: Ba # 107 coordinates: [ 0.120808775000000, 0.916666666666667, 0.460537270000000 ] mass: 137.327000 reduced_to: 103 - symbol: Ba # 108 coordinates: [ 0.620808775000000, 0.916666666666667, 0.460537270000000 ] mass: 137.327000 reduced_to: 103 - symbol: Ba # 109 coordinates: [ 0.370808775000000, 0.250000000000000, 0.039462730000000 ] mass: 137.327000 reduced_to: 109 - symbol: Ba # 110 coordinates: [ 0.870808775000000, 0.250000000000000, 0.039462730000000 ] mass: 137.327000 reduced_to: 109 - symbol: Ba # 111 coordinates: [ 0.370808775000000, 0.583333333333333, 0.039462730000000 ] mass: 137.327000 reduced_to: 109 - symbol: Ba # 112 coordinates: [ 0.870808775000000, 0.583333333333333, 0.039462730000000 ] mass: 137.327000 reduced_to: 109 - symbol: Ba # 113 coordinates: [ 0.370808775000000, 0.916666666666667, 0.039462730000000 ] mass: 137.327000 reduced_to: 109 - symbol: Ba # 114 coordinates: [ 0.870808775000000, 0.916666666666667, 0.039462730000000 ] mass: 137.327000 reduced_to: 109 - symbol: Ba # 115 coordinates: [ 0.288176240000000, 0.250000000000000, 0.784904010000000 ] mass: 137.327000 reduced_to: 115 - symbol: Ba # 116 coordinates: [ 0.788176240000000, 0.250000000000000, 0.784904010000000 ] mass: 137.327000 reduced_to: 115 - symbol: Ba # 117 coordinates: [ 0.288176240000000, 0.583333333333333, 0.784904010000000 ] mass: 137.327000 reduced_to: 115 - symbol: Ba # 118 coordinates: [ 0.788176240000000, 0.583333333333333, 0.784904010000000 ] mass: 137.327000 reduced_to: 115 - symbol: Ba # 119 coordinates: [ 0.288176240000000, 0.916666666666667, 0.784904010000000 ] mass: 137.327000 reduced_to: 115 - symbol: Ba # 120 coordinates: [ 0.788176240000000, 0.916666666666667, 0.784904010000000 ] mass: 137.327000 reduced_to: 115 - symbol: Hg # 121 coordinates: [ 0.312196410000000, 0.250000000000000, 0.366794410000000 ] mass: 200.590000 reduced_to: 121 - symbol: Hg # 122 coordinates: [ 0.812196410000000, 0.250000000000000, 0.366794410000000 ] mass: 200.590000 reduced_to: 121 - symbol: Hg # 123 coordinates: [ 0.312196410000000, 0.583333333333333, 0.366794410000000 ] mass: 200.590000 reduced_to: 121 - symbol: Hg # 124 coordinates: [ 0.812196410000000, 0.583333333333333, 0.366794410000000 ] mass: 200.590000 reduced_to: 121 - symbol: Hg # 125 coordinates: [ 0.312196410000000, 0.916666666666667, 0.366794410000000 ] mass: 200.590000 reduced_to: 121 - symbol: Hg # 126 coordinates: [ 0.812196410000000, 0.916666666666667, 0.366794410000000 ] mass: 200.590000 reduced_to: 121 - symbol: Hg # 127 coordinates: [ 0.187803590000000, 0.083333333333333, 0.633205590000000 ] mass: 200.590000 reduced_to: 127 - symbol: Hg # 128 coordinates: [ 0.687803590000000, 0.083333333333333, 0.633205590000000 ] mass: 200.590000 reduced_to: 127 - symbol: Hg # 129 coordinates: [ 0.187803590000000, 0.416666666666667, 0.633205590000000 ] mass: 200.590000 reduced_to: 127 - symbol: Hg # 130 coordinates: [ 0.687803590000000, 0.416666666666667, 0.633205590000000 ] mass: 200.590000 reduced_to: 127 - symbol: Hg # 131 coordinates: [ 0.187803590000000, 0.750000000000000, 0.633205590000000 ] mass: 200.590000 reduced_to: 127 - symbol: Hg # 132 coordinates: [ 0.687803590000000, 0.750000000000000, 0.633205590000000 ] mass: 200.590000 reduced_to: 127 - symbol: Hg # 133 coordinates: [ 0.062196410000000, 0.250000000000000, 0.133205590000000 ] mass: 200.590000 reduced_to: 133 - symbol: Hg # 134 coordinates: [ 0.562196410000000, 0.250000000000000, 0.133205590000000 ] mass: 200.590000 reduced_to: 133 - symbol: Hg # 135 coordinates: [ 0.062196410000000, 0.583333333333333, 0.133205590000000 ] mass: 200.590000 reduced_to: 133 - symbol: Hg # 136 coordinates: [ 0.562196410000000, 0.583333333333333, 0.133205590000000 ] mass: 200.590000 reduced_to: 133 - symbol: Hg # 137 coordinates: [ 0.062196410000000, 0.916666666666667, 0.133205590000000 ] mass: 200.590000 reduced_to: 133 - symbol: Hg # 138 coordinates: [ 0.562196410000000, 0.916666666666667, 0.133205590000000 ] mass: 200.590000 reduced_to: 133 - symbol: Hg # 139 coordinates: [ 0.437803590000000, 0.083333333333333, 0.866794410000000 ] mass: 200.590000 reduced_to: 139 - symbol: Hg # 140 coordinates: [ 0.937803590000000, 0.083333333333333, 0.866794410000000 ] mass: 200.590000 reduced_to: 139 - symbol: Hg # 141 coordinates: [ 0.437803590000000, 0.416666666666667, 0.866794410000000 ] mass: 200.590000 reduced_to: 139 - symbol: Hg # 142 coordinates: [ 0.937803590000000, 0.416666666666667, 0.866794410000000 ] mass: 200.590000 reduced_to: 139 - symbol: Hg # 143 coordinates: [ 0.437803590000000, 0.750000000000000, 0.866794410000000 ] mass: 200.590000 reduced_to: 139 - symbol: Hg # 144 coordinates: [ 0.937803590000000, 0.750000000000000, 0.866794410000000 ] mass: 200.590000 reduced_to: 139born_effective_charge:- # 1 (S) - [ -2.362205080000000, 0.000000000000000, 0.034027950000000 ] - [ 0.000000000000000, -2.277583700000000, 0.000000000000000 ] - [ -0.138574520000000, 0.000000000000000, -2.933939790000000 ]- # 2 (S) - [ -2.362205080000000, 0.000000000000000, 0.034027950000000 ] - [ 0.000000000000000, -2.277583700000000, 0.000000000000000 ] - [ -0.138574520000000, 0.000000000000000, -2.933939790000000 ]- # 3 (S) - [ -2.362205080000000, 0.000000000000000, -0.034027950000000 ] - [ 0.000000000000000, -2.277583700000000, 0.000000000000000 ] - [ 0.138574520000000, 0.000000000000000, -2.933939790000000 ]- # 4 (S) - [ -2.362205080000000, 0.000000000000000, -0.034027950000000 ] - [ 0.000000000000000, -2.277583700000000, 0.000000000000000 ] - [ 0.138574520000000, 0.000000000000000, -2.933939790000000 ]- # 5 (S) - [ -2.264695260000000, 0.000000000000000, -0.248129180000000 ] - [ 0.000000000000000, -3.668591580000000, 0.000000000000000 ] - [ -0.084766050000000, 0.000000000000000, -2.005676070000000 ]- # 6 (S) - [ -2.264695260000000, 0.000000000000000, -0.248129180000000 ] - [ 0.000000000000000, -3.668591580000000, 0.000000000000000 ] - [ -0.084766050000000, 0.000000000000000, -2.005676070000000 ]- # 7 (S) - [ -2.264695260000000, 0.000000000000000, 0.248129180000000 ] - [ 0.000000000000000, -3.668591580000000, 0.000000000000000 ] - [ 0.084766050000000, 0.000000000000000, -2.005676070000000 ]- # 8 (S) - [ -2.264695260000000, 0.000000000000000, 0.248129180000000 ] - [ 0.000000000000000, -3.668591580000000, 0.000000000000000 ] - [ 0.084766050000000, 0.000000000000000, -2.005676070000000 ]- # 9 (S) - [ -2.861031380000000, 0.000000000000000, 0.082106620000000 ] - [ 0.000000000000000, -2.245524030000000, 0.000000000000000 ] - [ 0.150515690000000, 0.000000000000000, -2.462630600000000 ]- # 10 (S) - [ -2.861031380000000, 0.000000000000000, -0.082106620000000 ] - [ 0.000000000000000, -2.245524030000000, 0.000000000000000 ] - [ -0.150515690000000, 0.000000000000000, -2.462630600000000 ]- # 11 (S) - [ -2.861031380000000, 0.000000000000000, -0.082106620000000 ] - [ 0.000000000000000, -2.245524030000000, 0.000000000000000 ] - [ -0.150515690000000, 0.000000000000000, -2.462630600000000 ]- # 12 (S) - [ -2.861031380000000, 0.000000000000000, 0.082106620000000 ] - [ 0.000000000000000, -2.245524030000000, 0.000000000000000 ] - [ 0.150515690000000, 0.000000000000000, -2.462630600000000 ]- # 13 (Ba) - [ 3.001198120000000, 0.000000000000000, 0.075910540000000 ] - [ 0.000000000000000, 2.455009510000000, 0.000000000000000 ] - [ 0.112667300000000, 0.000000000000000, 3.166111210000000 ]- # 14 (Ba) - [ 2.572277390000000, 0.000000000000000, 0.441629120000000 ] - [ 0.000000000000000, 2.955036630000000, 0.000000000000000 ] - [ 0.634575420000000, 0.000000000000000, 2.212744730000000 ]- # 15 (Ba) - [ 2.572277390000000, 0.000000000000000, -0.441629120000000 ] - [ 0.000000000000000, 2.955036630000000, 0.000000000000000 ] - [ -0.634575420000000, 0.000000000000000, 2.212744730000000 ]- # 16 (Ba) - [ 2.572277390000000, 0.000000000000000, -0.441629120000000 ] - [ 0.000000000000000, 2.955036630000000, 0.000000000000000 ] - [ -0.634575420000000, 0.000000000000000, 2.212744730000000 ]- # 17 (Ba) - [ 3.001198120000000, 0.000000000000000, -0.075910540000000 ] - [ 0.000000000000000, 2.455009510000000, 0.000000000000000 ] - [ -0.112667300000000, 0.000000000000000, 3.166111210000000 ]- # 18 (Ba) - [ 3.001198120000000, 0.000000000000000, -0.075910540000000 ] - [ 0.000000000000000, 2.455009510000000, 0.000000000000000 ] - [ -0.112667300000000, 0.000000000000000, 3.166111210000000 ]- # 19 (Ba) - [ 3.001198120000000, 0.000000000000000, 0.075910540000000 ] - [ 0.000000000000000, 2.455009510000000, 0.000000000000000 ] - [ 0.112667300000000, 0.000000000000000, 3.166111210000000 ]- # 20 (Ba) - [ 2.572277390000000, 0.000000000000000, 0.441629120000000 ] - [ 0.000000000000000, 2.955036630000000, 0.000000000000000 ] - [ 0.634575420000000, 0.000000000000000, 2.212744730000000 ]- # 21 (Hg) - [ 1.914456180000000, 0.000000000000000, 0.001645110000000 ] - [ 0.000000000000000, 2.781653160000000, 0.000000000000000 ] - [ 0.063876630000000, 0.000000000000000, 2.023390530000000 ]- # 22 (Hg) - [ 1.914456180000000, 0.000000000000000, 0.001645110000000 ] - [ 0.000000000000000, 2.781653160000000, 0.000000000000000 ] - [ 0.063876630000000, 0.000000000000000, 2.023390530000000 ]- # 23 (Hg) - [ 1.914456180000000, 0.000000000000000, -0.001645110000000 ] - [ 0.000000000000000, 2.781653160000000, 0.000000000000000 ] - [ -0.063876630000000, 0.000000000000000, 2.023390530000000 ]- # 24 (Hg) - [ 1.914456180000000, 0.000000000000000, -0.001645110000000 ] - [ 0.000000000000000, 2.781653160000000, 0.000000000000000 ] - [ -0.063876630000000, 0.000000000000000, 2.023390530000000 ]dielectric_constant: - [ 6.605553860000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 7.491636530000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 6.720441930000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0373729600000000, 0.0000000000000000, -0.0025752800000000 ] - [ 0.0005895400000000, 0.0000000000000000, 0.0003512800000000 ] - [ -0.0017679100000000, -0.0001175800000000, 0.0004192700000000 ] - [ 0.0005861300000000, -0.0000067000000000, 0.0003313400000000 ] - [ -0.0017679100000000, 0.0001175800000000, 0.0004192700000000 ] - [ 0.0005861300000000, 0.0000067000000000, 0.0003313400000000 ] - [ 0.0002402900000000, -0.0000126500000000, -0.0003237900000000 ] - [ -0.0000458200000000, 0.0000176400000000, -0.0004402200000000 ] - [ 0.0002141400000000, 0.0000000000000000, -0.0003552300000000 ] - [ -0.0000062300000000, 0.0000000000000000, -0.0003649900000000 ] - [ 0.0002402900000000, 0.0000126500000000, -0.0003237900000000 ] - [ -0.0000458200000000, -0.0000176400000000, -0.0004402200000000 ] - [ 0.0017297700000000, 0.0000000000000000, -0.0004838300000000 ] - [ 0.0017400200000000, 0.0000000000000000, -0.0000802600000000 ] - [ 0.0011581900000000, -0.0011047500000000, -0.0002547000000000 ] - [ 0.0011633500000000, 0.0012549000000000, 0.0001130100000000 ] - [ 0.0011581900000000, 0.0011047500000000, -0.0002547000000000 ] - [ 0.0011633500000000, -0.0012549000000000, 0.0001130100000000 ] - [ -0.0000808600000000, -0.0000192000000000, 0.0004392200000000 ] - [ 0.0002769100000000, 0.0000102600000000, 0.0003516700000000 ] - [ -0.0000704100000000, 0.0000000000000000, 0.0004542800000000 ] - [ 0.0002658600000000, 0.0000000000000000, 0.0003440100000000 ] - [ -0.0000808600000000, 0.0000192000000000, 0.0004392200000000 ] - [ 0.0002769100000000, -0.0000102600000000, 0.0003516700000000 ] - [ 0.0049181700000000, 0.0000000000000000, 0.0018695200000000 ] - [ 0.0053746500000000, 0.0000000000000000, 0.0017084500000000 ] - [ 0.0049154000000000, 0.0000976600000000, 0.0018959600000000 ] - [ 0.0053365800000000, -0.0000301400000000, 0.0017359400000000 ] - [ 0.0049154000000000, -0.0000976600000000, 0.0018959600000000 ] - [ 0.0053365800000000, 0.0000301400000000, 0.0017359400000000 ] - [ -0.0047050600000000, -0.0000787200000000, -0.0018162900000000 ] - [ -0.0047701000000000, 0.0022880500000000, 0.0005859100000000 ] - [ -0.0047641400000000, 0.0000000000000000, -0.0018106400000000 ] - [ -0.0056959600000000, 0.0000000000000000, -0.0017843700000000 ] - [ -0.0047050600000000, 0.0000787200000000, -0.0018162900000000 ] - [ -0.0047701000000000, -0.0022880500000000, 0.0005859100000000 ] - [ 0.0050712100000000, 0.0000000000000000, -0.0014054700000000 ] - [ 0.0055238400000000, 0.0000000000000000, -0.0019554700000000 ] - [ 0.0049377000000000, -0.0001137000000000, -0.0015334200000000 ] - [ 0.0054419700000000, 0.0000584600000000, -0.0018895800000000 ] - [ 0.0049377000000000, 0.0001137000000000, -0.0015334200000000 ] - [ 0.0054419700000000, -0.0000584600000000, -0.0018895800000000 ] - [ -0.0041707200000000, -0.0013232800000000, 0.0028440300000000 ] - [ -0.0046532800000000, 0.0003198300000000, 0.0015167000000000 ] - [ -0.0053354400000000, 0.0000000000000000, 0.0018645500000000 ] - [ -0.0048003400000000, 0.0000000000000000, 0.0015252000000000 ] - [ -0.0041707200000000, 0.0013232800000000, 0.0028440300000000 ] - [ -0.0046532800000000, -0.0003198300000000, 0.0015167000000000 ] - [ 0.0008102300000000, 0.0000000000000000, -0.0018768800000000 ] - [ 0.0012194500000000, 0.0000000000000000, 0.0013027600000000 ] - [ -0.0002063400000000, -0.0005384900000000, 0.0004174500000000 ] - [ 0.0011434200000000, -0.0000037000000000, 0.0012451800000000 ] - [ -0.0002063400000000, 0.0005384900000000, 0.0004174500000000 ] - [ 0.0011434200000000, 0.0000037000000000, 0.0012451800000000 ] - [ -0.0013274100000000, -0.0002909700000000, 0.0012599200000000 ] - [ -0.0002069300000000, -0.0000063700000000, 0.0011503000000000 ] - [ -0.0010835400000000, 0.0000000000000000, 0.0011294400000000 ] - [ -0.0002559800000000, 0.0000000000000000, 0.0011290000000000 ] - [ -0.0013274100000000, 0.0002909700000000, 0.0012599200000000 ] - [ -0.0002069300000000, 0.0000063700000000, 0.0011503000000000 ] - [ 0.0014827000000000, 0.0000000000000000, -0.0006799000000000 ] - [ 0.0031620200000000, 0.0000000000000000, -0.0050398700000000 ] - [ 0.0012310700000000, -0.0001504400000000, -0.0008234300000000 ] - [ 0.0004888200000000, 0.0005929900000000, -0.0017853800000000 ] - [ 0.0012310700000000, 0.0001504400000000, -0.0008234300000000 ] - [ 0.0004888200000000, -0.0005929900000000, -0.0017853800000000 ] - [ -0.0005379000000000, -0.0001344300000000, -0.0012870300000000 ] - [ -0.0005265300000000, 0.0000325100000000, -0.0009122500000000 ] - [ -0.0006027000000000, 0.0000000000000000, -0.0011957500000000 ] - [ -0.0005656700000000, 0.0000000000000000, -0.0008750400000000 ] - [ -0.0005379000000000, 0.0001344300000000, -0.0012870300000000 ] - [ -0.0005265300000000, -0.0000325100000000, -0.0009122500000000 ] - [ 0.0013183400000000, 0.0000000000000000, 0.0031135800000000 ] - [ 0.0015902900000000, 0.0000000000000000, 0.0017214100000000 ] - [ 0.0018009100000000, 0.0001076300000000, 0.0027920400000000 ] - [ 0.0016901300000000, -0.0002943000000000, 0.0019191700000000 ] - [ 0.0018009100000000, -0.0001076300000000, 0.0027920400000000 ] - [ 0.0016901300000000, 0.0002943000000000, 0.0019191700000000 ] - [ 0.0001310400000000, 0.0000000000000000, 0.0007207500000000 ] - [ 0.0000913000000000, 0.0000000000000000, 0.0006732500000000 ] - [ 0.0001321300000000, 0.0000366500000000, 0.0007147100000000 ] - [ 0.0000942600000000, 0.0000053300000000, 0.0006626600000000 ] - [ 0.0001321300000000, -0.0000366500000000, 0.0007147100000000 ] - [ 0.0000942600000000, -0.0000053300000000, 0.0006626600000000 ] - [ -0.0011084500000000, 0.0002424900000000, 0.0006299700000000 ] - [ 0.0070519000000000, 0.0038173900000000, 0.0001217200000000 ] - [ -0.0008082100000000, 0.0000000000000000, 0.0006984800000000 ] - [ 0.0005360300000000, 0.0000000000000000, 0.0006874500000000 ] - [ -0.0011084500000000, -0.0002424900000000, 0.0006299700000000 ] - [ 0.0070519000000000, -0.0038173900000000, 0.0001217200000000 ] - [ 0.0004203900000000, 0.0000000000000000, -0.0007824800000000 ] - [ -0.0000946900000000, 0.0000000000000000, -0.0006695700000000 ] - [ 0.0003614500000000, 0.0000300200000000, -0.0007950400000000 ] - [ -0.0000715600000000, 0.0000236000000000, -0.0006711700000000 ] - [ 0.0003614500000000, -0.0000300200000000, -0.0007950400000000 ] - [ -0.0000715600000000, -0.0000236000000000, -0.0006711700000000 ] - [ 0.0038660100000000, 0.0000000000000000, -0.0015685400000000 ] - [ 0.0012309900000000, 0.0000000000000000, -0.0023544800000000 ] - [ 0.0029032400000000, 0.0002664200000000, -0.0025182300000000 ] - [ 0.0013506900000000, -0.0000278500000000, -0.0023552600000000 ] - [ 0.0029032400000000, -0.0002664200000000, -0.0025182300000000 ] - [ 0.0013506900000000, 0.0000278500000000, -0.0023552600000000 ] - [ -0.0023067300000000, 0.0000552400000000, 0.0018377000000000 ] - [ -0.0020742100000000, -0.0004794900000000, 0.0032285400000000 ] - [ -0.0021129900000000, 0.0000000000000000, 0.0020729300000000 ] - [ -0.0019628300000000, 0.0000000000000000, 0.0028013300000000 ] - [ -0.0023067300000000, -0.0000552400000000, 0.0018377000000000 ] - [ -0.0020742100000000, 0.0004794900000000, 0.0032285400000000 ] - [ -0.0010260800000000, 0.0002118800000000, -0.0023262600000000 ] - [ -0.0022747300000000, -0.0000200800000000, -0.0024410500000000 ] - [ -0.0015820200000000, 0.0000000000000000, -0.0023132900000000 ] - [ -0.0022523400000000, 0.0000000000000000, -0.0024360300000000 ] - [ -0.0010260800000000, -0.0002118800000000, -0.0023262600000000 ] - [ -0.0022747300000000, 0.0000200800000000, -0.0024410500000000 ] - [ 0.0051302700000000, -0.0027313900000000, -0.0027804300000000 ] - [ -0.0010648900000000, -0.0001911800000000, -0.0008484800000000 ] - [ 0.0005568000000000, 0.0000000000000000, -0.0006363800000000 ] - [ -0.0008335200000000, 0.0000000000000000, -0.0007115900000000 ] - [ 0.0051302700000000, 0.0027313900000000, -0.0027804300000000 ] - [ -0.0010648900000000, 0.0001911800000000, -0.0008484800000000 ] - [ -0.0023138200000000, 0.0000947500000000, 0.0012989700000000 ] - [ -0.0028290000000000, -0.0000383000000000, 0.0014376800000000 ] - [ -0.0022811200000000, 0.0000000000000000, 0.0013690800000000 ] - [ -0.0028041300000000, 0.0000000000000000, 0.0014491800000000 ] - [ -0.0023138200000000, -0.0000947500000000, 0.0012989700000000 ] - [ -0.0028290000000000, 0.0000383000000000, 0.0014376800000000 ] - [ 0.0017471600000000, 0.0000000000000000, -0.0022593400000000 ] - [ 0.0015965700000000, 0.0000000000000000, -0.0011056000000000 ] - [ 0.0020927400000000, 0.0006115900000000, -0.0014415200000000 ] - [ 0.0023838200000000, -0.0001338000000000, -0.0010335700000000 ] - [ 0.0020927400000000, -0.0006115900000000, -0.0014415200000000 ] - [ 0.0023838200000000, 0.0001338000000000, -0.0010335700000000 ] - [ -0.0027221000000000, 0.0000045000000000, -0.0014041000000000 ] - [ -0.0025117000000000, -0.0000060400000000, -0.0014800300000000 ] - [ -0.0026488500000000, 0.0000000000000000, -0.0014030600000000 ] - [ -0.0025593600000000, 0.0000000000000000, -0.0014185900000000 ] - [ -0.0027221000000000, -0.0000045000000000, -0.0014041000000000 ] - [ -0.0025117000000000, 0.0000060400000000, -0.0014800300000000 ] - [ 0.0043430300000000, 0.0000000000000000, 0.0080492100000000 ] - [ 0.0021650500000000, 0.0000000000000000, 0.0014468100000000 ] - [ 0.0035874600000000, -0.0005400600000000, 0.0016435800000000 ] - [ 0.0022026900000000, 0.0000272700000000, 0.0013985400000000 ] - [ 0.0035874600000000, 0.0005400600000000, 0.0016435800000000 ] - [ 0.0022026900000000, -0.0000272700000000, 0.0013985400000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0371562300000000, 0.0000000000000000, 0.0032435800000000 ] - [ -0.0007783500000000, 0.0000000000000000, 0.0004283900000000 ] - [ 0.0015756500000000, 0.0001081900000000, 0.0003546800000000 ] - [ -0.0007774600000000, 0.0000016000000000, 0.0004433000000000 ] - [ 0.0015756500000000, -0.0001081900000000, 0.0003546800000000 ] - [ -0.0007774600000000, -0.0000016000000000, 0.0004433000000000 ] - [ -0.0000486400000000, 0.0000174200000000, -0.0004515200000000 ] - [ 0.0002367300000000, -0.0000127100000000, -0.0003349400000000 ] - [ -0.0000255200000000, 0.0000000000000000, -0.0004246800000000 ] - [ 0.0001944000000000, 0.0000000000000000, -0.0004158100000000 ] - [ -0.0000486400000000, -0.0000174200000000, -0.0004515200000000 ] - [ 0.0002367300000000, 0.0000127100000000, -0.0003349400000000 ] - [ -0.0019287300000000, 0.0000000000000000, -0.0002919000000000 ] - [ -0.0019184700000000, 0.0000000000000000, -0.0007021500000000 ] - [ -0.0013530300000000, 0.0011016900000000, -0.0005225400000000 ] - [ -0.0013479300000000, -0.0012562500000000, -0.0008837400000000 ] - [ -0.0013530300000000, -0.0011016900000000, -0.0005225400000000 ] - [ -0.0013479300000000, 0.0012562500000000, -0.0008837400000000 ] - [ 0.0002725100000000, 0.0000241700000000, 0.0003355500000000 ] - [ -0.0000860400000000, -0.0000052100000000, 0.0004232100000000 ] - [ 0.0002591600000000, 0.0000000000000000, 0.0003256400000000 ] - [ -0.0000777300000000, 0.0000000000000000, 0.0004359200000000 ] - [ 0.0002725100000000, -0.0000241700000000, 0.0003355500000000 ] - [ -0.0000860400000000, 0.0000052100000000, 0.0004232100000000 ] - [ 0.0053782300000000, 0.0000000000000000, 0.0016093300000000 ] - [ 0.0049236500000000, 0.0000000000000000, 0.0017727500000000 ] - [ 0.0053844300000000, -0.0001108400000000, 0.0015881000000000 ] - [ 0.0049634800000000, 0.0000178700000000, 0.0017492300000000 ] - [ 0.0053844300000000, 0.0001108400000000, 0.0015881000000000 ] - [ 0.0049634800000000, -0.0000178700000000, 0.0017492300000000 ] - [ -0.0055953700000000, 0.0000910900000000, -0.0016678400000000 ] - [ -0.0055369500000000, -0.0022744500000000, -0.0040734800000000 ] - [ -0.0055337800000000, 0.0000000000000000, -0.0016701500000000 ] - [ -0.0046019600000000, 0.0000000000000000, -0.0016967300000000 ] - [ -0.0055953700000000, -0.0000910900000000, -0.0016678400000000 ] - [ -0.0055369500000000, 0.0022744500000000, -0.0040734800000000 ] - [ 0.0052279500000000, 0.0000000000000000, -0.0020750000000000 ] - [ 0.0047729500000000, 0.0000000000000000, -0.0015257000000000 ] - [ 0.0053626400000000, 0.0001012100000000, -0.0019520700000000 ] - [ 0.0048575800000000, -0.0000711800000000, -0.0015958900000000 ] - [ 0.0053626400000000, -0.0001012100000000, -0.0019520700000000 ] - [ 0.0048575800000000, 0.0000711800000000, -0.0015958900000000 ] - [ -0.0061293600000000, 0.0013426700000000, 0.0006362100000000 ] - [ -0.0056493500000000, -0.0003098800000000, 0.0019672300000000 ] - [ -0.0049612700000000, 0.0000000000000000, 0.0016163700000000 ] - [ -0.0054969900000000, 0.0000000000000000, 0.0019554200000000 ] - [ -0.0061293600000000, -0.0013426700000000, 0.0006362100000000 ] - [ -0.0056493500000000, 0.0003098800000000, 0.0019672300000000 ] - [ 0.0005016000000000, 0.0000000000000000, 0.0040945800000000 ] - [ 0.0000704900000000, 0.0000000000000000, 0.0009209000000000 ] - [ 0.0015043300000000, 0.0005362700000000, 0.0018027100000000 ] - [ 0.0001504000000000, 0.0000004000000000, 0.0009722900000000 ] - [ 0.0015043300000000, -0.0005362700000000, 0.0018027100000000 ] - [ 0.0001504000000000, -0.0000004000000000, 0.0009722900000000 ] - [ 0.0000336700000000, 0.0002931900000000, 0.0009577000000000 ] - [ -0.0010875400000000, 0.0000096600000000, 0.0010655800000000 ] - [ -0.0002074500000000, 0.0000000000000000, 0.0010924100000000 ] - [ -0.0010348200000000, 0.0000000000000000, 0.0010931300000000 ] - [ 0.0000336700000000, -0.0002931900000000, 0.0009577000000000 ] - [ -0.0010875400000000, -0.0000096600000000, 0.0010655800000000 ] - [ -0.0001931800000000, 0.0000000000000000, -0.0015442500000000 ] - [ -0.0018880100000000, 0.0000000000000000, 0.0027984200000000 ] - [ 0.0000628500000000, 0.0001469900000000, -0.0013940400000000 ] - [ 0.0008053000000000, -0.0005957900000000, -0.0004357000000000 ] - [ 0.0000628500000000, -0.0001469900000000, -0.0013940400000000 ] - [ 0.0008053000000000, 0.0005957900000000, -0.0004357000000000 ] - [ -0.0007549100000000, 0.0001369000000000, -0.0009292200000000 ] - [ -0.0007690900000000, -0.0000294000000000, -0.0013040100000000 ] - [ -0.0006877100000000, 0.0000000000000000, -0.0010259100000000 ] - [ -0.0007259500000000, 0.0000000000000000, -0.0013477200000000 ] - [ -0.0007549100000000, -0.0001369000000000, -0.0009292200000000 ] - [ -0.0007690900000000, 0.0000294000000000, -0.0013040100000000 ] - [ 0.0026371300000000, 0.0000000000000000, 0.0017159300000000 ] - [ 0.0023748600000000, 0.0000000000000000, 0.0031119500000000 ] - [ 0.0021479100000000, -0.0000889000000000, 0.0020409900000000 ] - [ 0.0022619000000000, 0.0003155400000000, 0.0029148300000000 ] - [ 0.0021479100000000, 0.0000889000000000, 0.0020409900000000 ] - [ 0.0022619000000000, -0.0003155400000000, 0.0029148300000000 ] - [ 0.0001305000000000, 0.0000000000000000, 0.0006768100000000 ] - [ 0.0001712100000000, 0.0000000000000000, 0.0007243300000000 ] - [ 0.0001299500000000, -0.0000252300000000, 0.0006850200000000 ] - [ 0.0001685100000000, 0.0000057400000000, 0.0007375100000000 ] - [ 0.0001299500000000, 0.0000252300000000, 0.0006850200000000 ] - [ 0.0001685100000000, -0.0000057400000000, 0.0007375100000000 ] - [ 0.0008481300000000, -0.0002548700000000, 0.0007716500000000 ] - [ -0.0070969900000000, -0.0035826700000000, 0.0012714100000000 ] - [ 0.0005462200000000, 0.0000000000000000, 0.0006993100000000 ] - [ -0.0007956800000000, 0.0000000000000000, 0.0007093000000000 ] - [ 0.0008481300000000, 0.0002548700000000, 0.0007716500000000 ] - [ -0.0070969900000000, 0.0035826700000000, 0.0012714100000000 ] - [ -0.0001585200000000, 0.0000000000000000, -0.0006146900000000 ] - [ 0.0003565700000000, 0.0000000000000000, -0.0007275700000000 ] - [ -0.0000993200000000, -0.0000185700000000, -0.0006045800000000 ] - [ 0.0003338000000000, -0.0000125300000000, -0.0007286100000000 ] - [ -0.0000993200000000, 0.0000185700000000, -0.0006045800000000 ] - [ 0.0003338000000000, 0.0000125300000000, -0.0007286100000000 ] - [ 0.0000886400000000, 0.0000000000000000, -0.0032844200000000 ] - [ 0.0027285700000000, 0.0000000000000000, -0.0024789200000000 ] - [ 0.0010454200000000, -0.0002450400000000, -0.0023173000000000 ] - [ 0.0025984500000000, 0.0000470600000000, -0.0024789300000000 ] - [ 0.0010454200000000, 0.0002450400000000, -0.0023173000000000 ] - [ 0.0025984500000000, -0.0000470600000000, -0.0024789300000000 ] - [ -0.0016431500000000, -0.0000740700000000, 0.0029983000000000 ] - [ -0.0018745300000000, 0.0004641200000000, 0.0016054800000000 ] - [ -0.0018463000000000, 0.0000000000000000, 0.0027618900000000 ] - [ -0.0019967400000000, 0.0000000000000000, 0.0020342100000000 ] - [ -0.0016431500000000, 0.0000740700000000, 0.0029983000000000 ] - [ -0.0018745300000000, -0.0004641200000000, 0.0016054800000000 ] - [ -0.0029248300000000, -0.0002268900000000, -0.0025058900000000 ] - [ -0.0016740400000000, 0.0000011700000000, -0.0023949800000000 ] - [ -0.0023781600000000, 0.0000000000000000, -0.0025212900000000 ] - [ -0.0017063200000000, 0.0000000000000000, -0.0023990000000000 ] - [ -0.0029248300000000, 0.0002268900000000, -0.0025058900000000 ] - [ -0.0016740400000000, -0.0000011700000000, -0.0023949800000000 ] - [ -0.0055267100000000, 0.0029032900000000, 0.0014762400000000 ] - [ 0.0007998700000000, 0.0001794700000000, -0.0005513500000000 ] - [ -0.0008212600000000, 0.0000000000000000, -0.0007608300000000 ] - [ 0.0005704900000000, 0.0000000000000000, -0.0006856800000000 ] - [ -0.0055267100000000, -0.0029032900000000, 0.0014762400000000 ] - [ 0.0007998700000000, -0.0001794700000000, -0.0005513500000000 ] - [ -0.0028194400000000, -0.0000867300000000, 0.0015210600000000 ] - [ -0.0023034100000000, 0.0000464400000000, 0.0013822800000000 ] - [ -0.0028523600000000, 0.0000000000000000, 0.0014457100000000 ] - [ -0.0023292000000000, 0.0000000000000000, 0.0013655700000000 ] - [ -0.0028194400000000, 0.0000867300000000, 0.0015210600000000 ] - [ -0.0023034100000000, -0.0000464400000000, 0.0013822800000000 ] - [ 0.0033842200000000, 0.0000000000000000, -0.0005495600000000 ] - [ 0.0035416100000000, 0.0000000000000000, -0.0016982200000000 ] - [ 0.0030395500000000, -0.0006189900000000, -0.0013771400000000 ] - [ 0.0027466500000000, 0.0001263400000000, -0.0017842200000000 ] - [ 0.0030395500000000, 0.0006189900000000, -0.0013771400000000 ] - [ 0.0027466500000000, -0.0001263400000000, -0.0017842200000000 ] - [ -0.0024112700000000, 0.0000032700000000, -0.0014156800000000 ] - [ -0.0026204500000000, 0.0000143800000000, -0.0013396600000000 ] - [ -0.0024847700000000, 0.0000000000000000, -0.0014117200000000 ] - [ -0.0025735100000000, 0.0000000000000000, -0.0013956300000000 ] - [ -0.0024112700000000, -0.0000032700000000, -0.0014156800000000 ] - [ -0.0026204500000000, -0.0000143800000000, -0.0013396600000000 ] - [ 0.0006748100000000, 0.0000000000000000, -0.0052602800000000 ] - [ 0.0029688700000000, 0.0000000000000000, 0.0013672300000000 ] - [ 0.0015423500000000, 0.0005356600000000, 0.0011761600000000 ] - [ 0.0029299900000000, -0.0000351800000000, 0.0014209800000000 ] - [ 0.0015423500000000, -0.0005356600000000, 0.0011761600000000 ] - [ 0.0029299900000000, 0.0000351800000000, 0.0014209800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001123100000000, -0.0313030000000000, 0.0003525000000000 ] - [ -0.0000940400000000, -0.0001031000000000, 0.0003894100000000 ] - [ 0.0000188700000000, 0.0033826800000000, 0.0007902200000000 ] - [ -0.0000901300000000, 0.0000864800000000, 0.0004025200000000 ] - [ -0.0002096500000000, 0.0033646800000000, -0.0000118600000000 ] - [ -0.0001011800000000, 0.0000924500000000, 0.0003711300000000 ] - [ 0.0000824600000000, -0.0000161900000000, -0.0004293400000000 ] - [ 0.0001121900000000, -0.0000272000000000, -0.0003875100000000 ] - [ 0.0000945500000000, 0.0000360000000000, -0.0003891400000000 ] - [ 0.0000942200000000, 0.0000685100000000, -0.0003898600000000 ] - [ 0.0001097900000000, -0.0000210000000000, -0.0003446200000000 ] - [ 0.0000790700000000, -0.0000320100000000, -0.0003863800000000 ] - [ -0.0000934100000000, -0.0013496100000000, -0.0003896800000000 ] - [ -0.0000939300000000, -0.0013496000000000, -0.0003880700000000 ] - [ -0.0013523600000000, 0.0015079700000000, -0.0007231500000000 ] - [ 0.0010100200000000, 0.0015069100000000, 0.0000210800000000 ] - [ 0.0011560700000000, 0.0015073600000000, -0.0000539500000000 ] - [ -0.0011991900000000, 0.0015084000000000, -0.0007899500000000 ] - [ 0.0000755700000000, -0.0000298700000000, 0.0004245500000000 ] - [ 0.0001049100000000, -0.0000097600000000, 0.0004009700000000 ] - [ 0.0000944700000000, 0.0000684900000000, 0.0003891400000000 ] - [ 0.0000944500000000, 0.0000231300000000, 0.0003889700000000 ] - [ 0.0001162000000000, -0.0000347200000000, 0.0003475000000000 ] - [ 0.0000867600000000, -0.0000147900000000, 0.0003719700000000 ] - [ 0.0051473800000000, -0.0002715300000000, 0.0017389900000000 ] - [ 0.0051490700000000, -0.0000651800000000, 0.0017400400000000 ] - [ 0.0051597800000000, 0.0001751000000000, 0.0019274600000000 ] - [ 0.0051299900000000, 0.0000227100000000, 0.0017715000000000 ] - [ 0.0051387800000000, 0.0001890800000000, 0.0015557400000000 ] - [ 0.0051698200000000, 0.0000356400000000, 0.0017129600000000 ] - [ -0.0051834200000000, -0.0000862600000000, -0.0017318300000000 ] - [ -0.0032711700000000, 0.0018989000000000, 0.0008299900000000 ] - [ -0.0051486000000000, 0.0002066800000000, -0.0017397100000000 ] - [ -0.0051480800000000, 0.0010996500000000, -0.0017386600000000 ] - [ -0.0051153500000000, -0.0000975900000000, -0.0017513200000000 ] - [ -0.0070339300000000, 0.0018999500000000, -0.0043158800000000 ] - [ 0.0051488600000000, -0.0001853200000000, -0.0017400200000000 ] - [ 0.0051484000000000, -0.0000754800000000, -0.0017404400000000 ] - [ 0.0051296600000000, 0.0000971700000000, -0.0018415400000000 ] - [ 0.0051483600000000, 0.0000264800000000, -0.0017676200000000 ] - [ 0.0051693000000000, 0.0001102700000000, -0.0016430300000000 ] - [ 0.0051510400000000, 0.0000391400000000, -0.0017173600000000 ] - [ -0.0064926700000000, 0.0002147700000000, 0.0007426400000000 ] - [ -0.0050831300000000, -0.0002236300000000, 0.0016948900000000 ] - [ -0.0051490700000000, 0.0006448400000000, 0.0017393400000000 ] - [ -0.0051477400000000, 0.0004826900000000, 0.0017399400000000 ] - [ -0.0038030700000000, 0.0002081000000000, 0.0027424900000000 ] - [ -0.0052156600000000, -0.0002344600000000, 0.0017885600000000 ] - [ 0.0006576000000000, -0.0016912500000000, 0.0010938200000000 ] - [ 0.0006446500000000, -0.0000678600000000, 0.0011123100000000 ] - [ 0.0005953200000000, 0.0007296600000000, 0.0019559300000000 ] - [ 0.0008275000000000, 0.0000246100000000, 0.0011683300000000 ] - [ 0.0006996700000000, 0.0007336100000000, 0.0002665900000000 ] - [ 0.0004659400000000, 0.0000281500000000, 0.0010503900000000 ] - [ -0.0006841800000000, -0.0001908500000000, 0.0009629500000000 ] - [ -0.0007120500000000, -0.0000309900000000, 0.0010963900000000 ] - [ -0.0006451000000000, 0.0002751600000000, 0.0011111100000000 ] - [ -0.0006446900000000, 0.0000616000000000, 0.0011116300000000 ] - [ -0.0006101200000000, -0.0001921400000000, 0.0012547000000000 ] - [ -0.0005806500000000, -0.0000342300000000, 0.0011206500000000 ] - [ 0.0006452100000000, -0.0002357600000000, -0.0011121500000000 ] - [ 0.0006369400000000, -0.0013820100000000, -0.0011077200000000 ] - [ 0.0003277600000000, 0.0001444300000000, -0.0012847600000000 ] - [ 0.0010620500000000, 0.0006251600000000, -0.0018063900000000 ] - [ 0.0009658300000000, 0.0001487400000000, -0.0009341400000000 ] - [ 0.0002324200000000, 0.0006279500000000, -0.0004151300000000 ] - [ -0.0007213900000000, -0.0000814100000000, -0.0010615900000000 ] - [ -0.0005727100000000, -0.0001004700000000, -0.0010225300000000 ] - [ -0.0006449600000000, 0.0001716100000000, -0.0011113400000000 ] - [ -0.0006452200000000, 0.0002901900000000, -0.0011119900000000 ] - [ -0.0005687200000000, -0.0000821200000000, -0.0011570500000000 ] - [ -0.0007214200000000, -0.0001036000000000, -0.0011948000000000 ] - [ 0.0019751400000000, 0.0001474500000000, 0.0024151600000000 ] - [ 0.0019819200000000, 0.0009102000000000, 0.0024160000000000 ] - [ 0.0022847400000000, -0.0000741600000000, 0.0021046200000000 ] - [ 0.0016085200000000, -0.0004449200000000, 0.0019797000000000 ] - [ 0.0016650700000000, -0.0000935800000000, 0.0027256800000000 ] - [ 0.0023426900000000, -0.0004661700000000, 0.0028522900000000 ] - [ 0.0001307000000000, 0.0000645000000000, 0.0006995000000000 ] - [ 0.0001311800000000, 0.0000655900000000, 0.0006990300000000 ] - [ 0.0001519900000000, -0.0000259800000000, 0.0006918500000000 ] - [ 0.0001168700000000, -0.0000280900000000, 0.0006816100000000 ] - [ 0.0001101600000000, -0.0000377500000000, 0.0007085700000000 ] - [ 0.0001457100000000, -0.0000390900000000, 0.0007190100000000 ] - [ 0.0001124000000000, 0.0002521100000000, 0.0007259200000000 ] - [ 0.0033981100000000, 0.0052924000000000, 0.0001929800000000 ] - [ -0.0001301400000000, -0.0005657700000000, 0.0006992000000000 ] - [ -0.0001333700000000, -0.0017732700000000, 0.0006988500000000 ] - [ -0.0003738800000000, 0.0002615500000000, 0.0006748300000000 ] - [ -0.0034470600000000, 0.0051535300000000, 0.0011965400000000 ] - [ 0.0001309600000000, 0.0001015200000000, -0.0006986100000000 ] - [ 0.0001306200000000, 0.0000339900000000, -0.0006984600000000 ] - [ 0.0001309600000000, -0.0000429100000000, -0.0007080300000000 ] - [ 0.0001380900000000, -0.0000117900000000, -0.0006973700000000 ] - [ 0.0001311900000000, -0.0000543700000000, -0.0006912100000000 ] - [ 0.0001236700000000, -0.0000229900000000, -0.0007021900000000 ] - [ 0.0019834400000000, 0.0013564100000000, -0.0024058800000000 ] - [ 0.0019789700000000, 0.0000699200000000, -0.0024158600000000 ] - [ 0.0021590400000000, -0.0006426200000000, -0.0014670700000000 ] - [ 0.0020359800000000, -0.0000185700000000, -0.0023899800000000 ] - [ 0.0017925300000000, -0.0006626600000000, -0.0033610600000000 ] - [ 0.0019119900000000, -0.0000376800000000, -0.0024424500000000 ] - [ -0.0017923300000000, 0.0001143000000000, 0.0026740700000000 ] - [ -0.0020771200000000, 0.0001649600000000, 0.0026405000000000 ] - [ -0.0019792000000000, -0.0002086800000000, 0.0024168500000000 ] - [ -0.0019796300000000, -0.0003605300000000, 0.0024177500000000 ] - [ -0.0021575600000000, 0.0001328000000000, 0.0021593400000000 ] - [ -0.0018712900000000, 0.0001813600000000, 0.0021947300000000 ] - [ -0.0017384500000000, 0.0003151100000000, -0.0028679300000000 ] - [ -0.0019964300000000, 0.0000367300000000, -0.0024358100000000 ] - [ -0.0019797400000000, -0.0005181200000000, -0.0024173800000000 ] - [ -0.0019791400000000, -0.0000910200000000, -0.0024167600000000 ] - [ -0.0022092400000000, 0.0003250000000000, -0.0019601000000000 ] - [ -0.0019522400000000, 0.0000555000000000, -0.0023983000000000 ] - [ -0.0032266900000000, 0.0054943800000000, 0.0017761400000000 ] - [ -0.0003598000000000, 0.0002134200000000, -0.0007481300000000 ] - [ -0.0001288500000000, -0.0018270100000000, -0.0007004500000000 ] - [ -0.0001318000000000, -0.0004925800000000, -0.0006991100000000 ] - [ 0.0027728700000000, 0.0053458200000000, -0.0030693500000000 ] - [ 0.0000957100000000, 0.0002237000000000, -0.0006528000000000 ] - [ -0.0024880000000000, 0.0000578400000000, 0.0014482500000000 ] - [ -0.0025275200000000, 0.0000128400000000, 0.0014178000000000 ] - [ -0.0025663200000000, -0.0000994400000000, 0.0014076400000000 ] - [ -0.0025668700000000, -0.0000147300000000, 0.0014076100000000 ] - [ -0.0026446800000000, 0.0000495600000000, 0.0013721600000000 ] - [ -0.0026053600000000, 0.0000047800000000, 0.0014025600000000 ] - [ 0.0025656700000000, 0.0009839200000000, -0.0014071900000000 ] - [ 0.0025677300000000, 0.0002140300000000, -0.0014057300000000 ] - [ 0.0026980300000000, -0.0005210900000000, -0.0011347200000000 ] - [ 0.0021228300000000, -0.0001139500000000, -0.0010774900000000 ] - [ 0.0024335500000000, -0.0005165200000000, -0.0016814600000000 ] - [ 0.0030081600000000, -0.0001059100000000, -0.0017413200000000 ] - [ -0.0025096200000000, 0.0000076600000000, -0.0014131100000000 ] - [ -0.0025209600000000, 0.0000933000000000, -0.0015014200000000 ] - [ -0.0025665900000000, -0.0000116500000000, -0.0014073400000000 ] - [ -0.0025662400000000, -0.0001688800000000, -0.0014070200000000 ] - [ -0.0026247600000000, -0.0000000800000000, -0.0014061400000000 ] - [ -0.0026110800000000, 0.0000847400000000, -0.0013179200000000 ] - [ 0.0025536800000000, -0.0001291200000000, 0.0013432300000000 ] - [ 0.0025668300000000, 0.0000862300000000, 0.0014071500000000 ] - [ 0.0024210800000000, -0.0011222700000000, 0.0004800400000000 ] - [ 0.0025172700000000, -0.0000475100000000, 0.0013974100000000 ] - [ 0.0027086800000000, -0.0011172100000000, 0.0023298400000000 ] - [ 0.0026156700000000, -0.0000405300000000, 0.0014219200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0031565600000000, 0.0000000000000000, -0.0736485300000000 ] - [ -0.0001333200000000, 0.0000000000000000, 0.0000759000000000 ] - [ -0.0000624800000000, -0.0004070800000000, -0.0010363700000000 ] - [ -0.0001520700000000, -0.0000157000000000, 0.0000754300000000 ] - [ -0.0000624800000000, 0.0004070800000000, -0.0010363700000000 ] - [ -0.0001520700000000, 0.0000157000000000, 0.0000754300000000 ] - [ 0.0001586400000000, -0.0000419200000000, 0.0002012600000000 ] - [ 0.0000437100000000, -0.0000004700000000, 0.0003884300000000 ] - [ 0.0001285400000000, 0.0000000000000000, -0.0000713800000000 ] - [ 0.0001202700000000, 0.0000000000000000, 0.0002220700000000 ] - [ 0.0001586400000000, 0.0000419200000000, 0.0002012600000000 ] - [ 0.0000437100000000, 0.0000004700000000, 0.0003884300000000 ] - [ -0.0004006300000000, 0.0000000000000000, -0.0016654900000000 ] - [ -0.0000038900000000, 0.0000000000000000, -0.0016661900000000 ] - [ -0.0005918400000000, 0.0004039800000000, -0.0011667400000000 ] - [ -0.0002334000000000, -0.0003375900000000, -0.0011702000000000 ] - [ -0.0005918400000000, -0.0004039800000000, -0.0011667400000000 ] - [ -0.0002334000000000, 0.0003375900000000, -0.0011702000000000 ] - [ 0.0000439600000000, -0.0000380100000000, 0.0013911800000000 ] - [ 0.0001313300000000, -0.0000143100000000, 0.0007195000000000 ] - [ 0.0000300300000000, 0.0000000000000000, 0.0008966700000000 ] - [ 0.0001401200000000, 0.0000000000000000, 0.0007102000000000 ] - [ 0.0000439600000000, 0.0000380100000000, 0.0013911800000000 ] - [ 0.0001313300000000, 0.0000143100000000, 0.0007195000000000 ] - [ 0.0055642400000000, 0.0000000000000000, 0.0025840200000000 ] - [ 0.0049167100000000, 0.0000000000000000, 0.0019581800000000 ] - [ 0.0053431200000000, 0.0003517900000000, 0.0024046100000000 ] - [ 0.0049945200000000, 0.0001005600000000, 0.0018394900000000 ] - [ 0.0053431200000000, -0.0003517900000000, 0.0024046100000000 ] - [ 0.0049945200000000, -0.0001005600000000, 0.0018394900000000 ] - [ -0.0052645200000000, 0.0000797900000000, -0.0019292100000000 ] - [ -0.0019620600000000, 0.0039634600000000, 0.0019697400000000 ] - [ -0.0051815900000000, 0.0000000000000000, -0.0018775700000000 ] - [ -0.0052290000000000, 0.0000000000000000, -0.0020894500000000 ] - [ -0.0052645200000000, -0.0000797900000000, -0.0019292100000000 ] - [ -0.0019620600000000, -0.0039634600000000, 0.0019697400000000 ] - [ 0.0061172200000000, 0.0000000000000000, -0.0006148400000000 ] - [ 0.0049102400000000, 0.0000000000000000, -0.0013959400000000 ] - [ 0.0052112400000000, -0.0002377100000000, -0.0014206400000000 ] - [ 0.0050606900000000, -0.0001340700000000, -0.0015193900000000 ] - [ 0.0052112400000000, 0.0002377100000000, -0.0014206400000000 ] - [ 0.0050606900000000, 0.0001340700000000, -0.0015193900000000 ] - [ -0.0028290300000000, -0.0018862400000000, 0.0015916200000000 ] - [ -0.0055624200000000, -0.0004133700000000, 0.0015605400000000 ] - [ -0.0050338400000000, 0.0000000000000000, 0.0014435500000000 ] - [ -0.0052032000000000, 0.0000000000000000, 0.0016340100000000 ] - [ -0.0028290300000000, 0.0018862400000000, 0.0015916200000000 ] - [ -0.0055624200000000, 0.0004133700000000, 0.0015605400000000 ] - [ -0.0054362300000000, 0.0000000000000000, 0.0090112500000000 ] - [ 0.0007755400000000, 0.0000000000000000, 0.0008985500000000 ] - [ 0.0002654100000000, 0.0005227000000000, 0.0009771900000000 ] - [ 0.0008176700000000, -0.0000056500000000, 0.0008974500000000 ] - [ 0.0002654100000000, -0.0005227000000000, 0.0009771900000000 ] - [ 0.0008176700000000, 0.0000056500000000, 0.0008974500000000 ] - [ -0.0010352800000000, -0.0013768600000000, 0.0025230300000000 ] - [ -0.0005859200000000, -0.0000125700000000, 0.0013071500000000 ] - [ -0.0007216100000000, 0.0000000000000000, 0.0013984000000000 ] - [ -0.0006195600000000, 0.0000000000000000, 0.0013205400000000 ] - [ -0.0010352800000000, 0.0013768600000000, 0.0025230300000000 ] - [ -0.0005859200000000, 0.0000125700000000, 0.0013071500000000 ] - [ 0.0011060000000000, 0.0000000000000000, -0.0012446000000000 ] - [ -0.0047912900000000, 0.0000000000000000, 0.0011733500000000 ] - [ 0.0011212200000000, -0.0002120900000000, -0.0012114100000000 ] - [ 0.0004153600000000, -0.0003679800000000, -0.0012984700000000 ] - [ 0.0011212200000000, 0.0002120900000000, -0.0012114100000000 ] - [ 0.0004153600000000, 0.0003679800000000, -0.0012984700000000 ] - [ -0.0014634100000000, 0.0004454100000000, -0.0004406400000000 ] - [ -0.0002982800000000, 0.0000237100000000, -0.0006558900000000 ] - [ -0.0008046300000000, 0.0000000000000000, -0.0009013300000000 ] - [ -0.0002974600000000, 0.0000000000000000, -0.0006036600000000 ] - [ -0.0014634100000000, -0.0004454100000000, -0.0004406400000000 ] - [ -0.0002982800000000, -0.0000237100000000, -0.0006558900000000 ] - [ 0.0040324500000000, 0.0000000000000000, 0.0026629600000000 ] - [ 0.0003493500000000, 0.0000000000000000, 0.0022170500000000 ] - [ 0.0023185300000000, -0.0001659400000000, 0.0025624500000000 ] - [ 0.0010195800000000, -0.0006525900000000, 0.0023308100000000 ] - [ 0.0023185300000000, 0.0001659400000000, 0.0025624500000000 ] - [ 0.0010195800000000, 0.0006525900000000, 0.0023308100000000 ] - [ 0.0000569100000000, 0.0000000000000000, -0.0001217300000000 ] - [ -0.0000115000000000, 0.0000000000000000, 0.0002931100000000 ] - [ 0.0000103600000000, -0.0000608700000000, 0.0002711500000000 ] - [ -0.0000243100000000, 0.0000581000000000, 0.0003449800000000 ] - [ 0.0000103600000000, 0.0000608700000000, 0.0002711500000000 ] - [ -0.0000243100000000, -0.0000581000000000, 0.0003449800000000 ] - [ -0.0002548000000000, 0.0000142700000000, 0.0011052400000000 ] - [ 0.0002845500000000, 0.0008873000000000, 0.0039799600000000 ] - [ -0.0001824000000000, 0.0000000000000000, 0.0010364900000000 ] - [ -0.0002786600000000, 0.0000000000000000, 0.0011532200000000 ] - [ -0.0002548000000000, -0.0000142700000000, 0.0011052400000000 ] - [ 0.0002845500000000, -0.0008873000000000, 0.0039799600000000 ] - [ 0.0004095900000000, 0.0000000000000000, -0.0016689300000000 ] - [ 0.0001916000000000, 0.0000000000000000, -0.0009552200000000 ] - [ 0.0003432100000000, 0.0002507000000000, -0.0013707600000000 ] - [ 0.0001723300000000, -0.0000033300000000, -0.0009128000000000 ] - [ 0.0003432100000000, -0.0002507000000000, -0.0013707600000000 ] - [ 0.0001723300000000, 0.0000033300000000, -0.0009128000000000 ] - [ 0.0033919300000000, 0.0000000000000000, 0.0057464100000000 ] - [ 0.0020353900000000, 0.0000000000000000, -0.0024577400000000 ] - [ 0.0020432000000000, 0.0010920400000000, -0.0024614900000000 ] - [ 0.0019383400000000, 0.0000550100000000, -0.0024386600000000 ] - [ 0.0020432000000000, -0.0010920400000000, -0.0024614900000000 ] - [ 0.0019383400000000, -0.0000550100000000, -0.0024386600000000 ] - [ -0.0024577100000000, 0.0000891900000000, 0.0019859900000000 ] - [ -0.0013779000000000, 0.0006845800000000, 0.0016901700000000 ] - [ -0.0020605800000000, 0.0000000000000000, 0.0022009600000000 ] - [ -0.0018499100000000, 0.0000000000000000, 0.0021459600000000 ] - [ -0.0024577100000000, -0.0000891900000000, 0.0019859900000000 ] - [ -0.0013779000000000, -0.0006845800000000, 0.0016901700000000 ] - [ -0.0019498000000000, -0.0015302100000000, -0.0044461300000000 ] - [ -0.0020557500000000, -0.0000130500000000, -0.0024069800000000 ] - [ -0.0018422800000000, 0.0000000000000000, -0.0028038200000000 ] - [ -0.0021196000000000, 0.0000000000000000, -0.0023974200000000 ] - [ -0.0019498000000000, 0.0015302100000000, -0.0044461300000000 ] - [ -0.0020557500000000, 0.0000130500000000, -0.0024069800000000 ] - [ -0.0027928700000000, 0.0026886200000000, 0.0045406400000000 ] - [ -0.0000599300000000, 0.0000303500000000, -0.0003705200000000 ] - [ 0.0000047200000000, 0.0000000000000000, -0.0000913600000000 ] - [ -0.0000642100000000, 0.0000000000000000, -0.0005071900000000 ] - [ -0.0027928700000000, -0.0026886200000000, 0.0045406400000000 ] - [ -0.0000599300000000, -0.0000303500000000, -0.0003705200000000 ] - [ -0.0028700300000000, 0.0003342800000000, 0.0006378700000000 ] - [ -0.0025427500000000, 0.0000920200000000, 0.0011921200000000 ] - [ -0.0024494300000000, 0.0000000000000000, 0.0010939600000000 ] - [ -0.0025427900000000, 0.0000000000000000, 0.0011957400000000 ] - [ -0.0028700300000000, -0.0003342800000000, 0.0006378700000000 ] - [ -0.0025427500000000, -0.0000920200000000, 0.0011921200000000 ] - [ 0.0015562100000000, 0.0000000000000000, -0.0006610300000000 ] - [ 0.0039330300000000, 0.0000000000000000, -0.0001042000000000 ] - [ 0.0019426300000000, 0.0008257000000000, -0.0005749500000000 ] - [ 0.0026331300000000, 0.0001561700000000, -0.0011109000000000 ] - [ 0.0019426300000000, -0.0008257000000000, -0.0005749500000000 ] - [ 0.0026331300000000, -0.0001561700000000, -0.0011109000000000 ] - [ -0.0021790600000000, 0.0000205400000000, -0.0018052600000000 ] - [ -0.0027823100000000, -0.0000756800000000, -0.0019695600000000 ] - [ -0.0025255300000000, 0.0000000000000000, -0.0016118900000000 ] - [ -0.0028671600000000, 0.0000000000000000, -0.0017466900000000 ] - [ -0.0021790600000000, -0.0000205400000000, -0.0018052600000000 ] - [ -0.0027823100000000, 0.0000756800000000, -0.0019695600000000 ] - [ 0.0119166100000000, 0.0000000000000000, 0.0346557200000000 ] - [ 0.0025621000000000, 0.0000000000000000, 0.0016126600000000 ] - [ 0.0032987600000000, -0.0012715000000000, 0.0023934100000000 ] - [ 0.0025555000000000, -0.0000454900000000, 0.0016181800000000 ] - [ 0.0032987600000000, 0.0012715000000000, 0.0023934100000000 ] - [ 0.0025555000000000, 0.0000454900000000, 0.0016181800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0026747000000000, 0.0000000000000000, 0.0730344800000000 ] - [ -0.0000562700000000, 0.0000000000000000, 0.0007040100000000 ] - [ -0.0001273300000000, 0.0003899600000000, 0.0018134500000000 ] - [ -0.0000403700000000, 0.0000107200000000, 0.0006993500000000 ] - [ -0.0001273300000000, -0.0003899600000000, 0.0018134500000000 ] - [ -0.0000403700000000, -0.0000107200000000, 0.0006993500000000 ] - [ 0.0000311100000000, 0.0000478500000000, -0.0009768000000000 ] - [ 0.0001492500000000, 0.0000057200000000, -0.0011661000000000 ] - [ 0.0000593600000000, 0.0000000000000000, -0.0007091500000000 ] - [ 0.0000697200000000, 0.0000000000000000, -0.0010017600000000 ] - [ 0.0000311100000000, -0.0000478500000000, -0.0009768000000000 ] - [ 0.0001492500000000, -0.0000057200000000, -0.0011661000000000 ] - [ 0.0002209800000000, 0.0000000000000000, 0.0008905600000000 ] - [ -0.0001961200000000, 0.0000000000000000, 0.0008898200000000 ] - [ 0.0004046300000000, -0.0004120600000000, 0.0003975500000000 ] - [ 0.0000340800000000, 0.0003265500000000, 0.0003940400000000 ] - [ 0.0004046300000000, 0.0004120600000000, 0.0003975500000000 ] - [ 0.0000340800000000, -0.0003265500000000, 0.0003940400000000 ] - [ 0.0001477600000000, 0.0000440800000000, -0.0006219400000000 ] - [ 0.0000599400000000, 0.0000197000000000, 0.0000540500000000 ] - [ 0.0001588200000000, 0.0000000000000000, -0.0001197500000000 ] - [ 0.0000483600000000, 0.0000000000000000, 0.0000685600000000 ] - [ 0.0001477600000000, -0.0000440800000000, -0.0006219400000000 ] - [ 0.0000599400000000, -0.0000197000000000, 0.0000540500000000 ] - [ 0.0047321300000000, 0.0000000000000000, 0.0008912700000000 ] - [ 0.0053798100000000, 0.0000000000000000, 0.0015218200000000 ] - [ 0.0049562400000000, -0.0003631600000000, 0.0010775000000000 ] - [ 0.0053042400000000, -0.0001118000000000, 0.0016436300000000 ] - [ 0.0049562400000000, 0.0003631600000000, 0.0010775000000000 ] - [ 0.0053042400000000, 0.0001118000000000, 0.0016436300000000 ] - [ -0.0050355000000000, -0.0000674100000000, -0.0015560300000000 ] - [ -0.0082992600000000, -0.0039026200000000, -0.0054091000000000 ] - [ -0.0051159300000000, 0.0000000000000000, -0.0016037200000000 ] - [ -0.0050695900000000, 0.0000000000000000, -0.0013937900000000 ] - [ -0.0050355000000000, 0.0000674100000000, -0.0015560300000000 ] - [ -0.0082992600000000, 0.0039026200000000, -0.0054091000000000 ] - [ 0.0041666400000000, 0.0000000000000000, -0.0028759300000000 ] - [ 0.0053881400000000, 0.0000000000000000, -0.0020859300000000 ] - [ 0.0050874400000000, 0.0002279600000000, -0.0020642400000000 ] - [ 0.0052388400000000, 0.0001227500000000, -0.0019650800000000 ] - [ 0.0050874400000000, -0.0002279600000000, -0.0020642400000000 ] - [ 0.0052388400000000, -0.0001227500000000, -0.0019650800000000 ] - [ -0.0074827600000000, 0.0019119200000000, 0.0019010000000000 ] - [ -0.0047360100000000, 0.0004286100000000, 0.0019269200000000 ] - [ -0.0052636200000000, 0.0000000000000000, 0.0020408100000000 ] - [ -0.0050956200000000, 0.0000000000000000, 0.0018488900000000 ] - [ -0.0074827600000000, -0.0019119200000000, 0.0019010000000000 ] - [ -0.0047360100000000, -0.0004286100000000, 0.0019269200000000 ] - [ 0.0066278700000000, 0.0000000000000000, -0.0066929600000000 ] - [ 0.0005129000000000, 0.0000000000000000, 0.0013224700000000 ] - [ 0.0010280000000000, -0.0005290800000000, 0.0012334500000000 ] - [ 0.0004750900000000, 0.0000024000000000, 0.0013174500000000 ] - [ 0.0010280000000000, 0.0005290800000000, 0.0012334500000000 ] - [ 0.0004750900000000, -0.0000024000000000, 0.0013174500000000 ] - [ -0.0002514800000000, 0.0013957900000000, -0.0003156300000000 ] - [ -0.0007088100000000, 0.0000160400000000, 0.0009101400000000 ] - [ -0.0005669400000000, 0.0000000000000000, 0.0008252400000000 ] - [ -0.0006708300000000, 0.0000000000000000, 0.0009026000000000 ] - [ -0.0002514800000000, -0.0013957900000000, -0.0003156300000000 ] - [ -0.0007088100000000, -0.0000160400000000, 0.0009101400000000 ] - [ 0.0001828400000000, 0.0000000000000000, -0.0009757200000000 ] - [ 0.0061265000000000, 0.0000000000000000, -0.0033994100000000 ] - [ 0.0001699200000000, 0.0002099700000000, -0.0010033200000000 ] - [ 0.0008786300000000, 0.0003638200000000, -0.0009106800000000 ] - [ 0.0001699200000000, -0.0002099700000000, -0.0010033200000000 ] - [ 0.0008786300000000, -0.0003638200000000, -0.0009106800000000 ] - [ 0.0001685100000000, -0.0004406300000000, -0.0017779200000000 ] - [ -0.0009953200000000, -0.0000208000000000, -0.0015625100000000 ] - [ -0.0004842300000000, 0.0000000000000000, -0.0013236800000000 ] - [ -0.0009926300000000, 0.0000000000000000, -0.0016194900000000 ] - [ 0.0001685100000000, 0.0004406300000000, -0.0017779200000000 ] - [ -0.0009953200000000, 0.0000208000000000, -0.0015625100000000 ] - [ -0.0000693900000000, 0.0000000000000000, 0.0021759000000000 ] - [ 0.0036168800000000, 0.0000000000000000, 0.0026237100000000 ] - [ 0.0016284400000000, 0.0001844900000000, 0.0022741600000000 ] - [ 0.0029307200000000, 0.0006713900000000, 0.0025072500000000 ] - [ 0.0016284400000000, -0.0001844900000000, 0.0022741600000000 ] - [ 0.0029307200000000, -0.0006713900000000, 0.0025072500000000 ] - [ 0.0002068300000000, 0.0000000000000000, 0.0015219400000000 ] - [ 0.0002731900000000, 0.0000000000000000, 0.0011053100000000 ] - [ 0.0002529100000000, 0.0000706400000000, 0.0011303300000000 ] - [ 0.0002863300000000, -0.0000473600000000, 0.0010556200000000 ] - [ 0.0002529100000000, -0.0000706400000000, 0.0011303300000000 ] - [ 0.0002863300000000, 0.0000473600000000, 0.0010556200000000 ] - [ -0.0000080200000000, -0.0000243400000000, 0.0002921200000000 ] - [ -0.0005607800000000, -0.0009118100000000, -0.0025887800000000 ] - [ -0.0000800300000000, 0.0000000000000000, 0.0003590000000000 ] - [ 0.0000197800000000, 0.0000000000000000, 0.0002417800000000 ] - [ -0.0000080200000000, 0.0000243400000000, 0.0002921200000000 ] - [ -0.0005607800000000, 0.0009118100000000, -0.0025887800000000 ] - [ -0.0001514300000000, 0.0000000000000000, 0.0002793000000000 ] - [ 0.0000713200000000, 0.0000000000000000, -0.0004421100000000 ] - [ -0.0000824400000000, -0.0002423100000000, -0.0000256800000000 ] - [ 0.0000906000000000, 0.0000140000000000, -0.0004870700000000 ] - [ -0.0000824400000000, 0.0002423100000000, -0.0000256800000000 ] - [ 0.0000906000000000, -0.0000140000000000, -0.0004870700000000 ] - [ 0.0004631800000000, 0.0000000000000000, -0.0111564600000000 ] - [ 0.0019240200000000, 0.0000000000000000, -0.0023770800000000 ] - [ 0.0019051900000000, -0.0010828700000000, -0.0023797900000000 ] - [ 0.0020117300000000, -0.0000362200000000, -0.0023971300000000 ] - [ 0.0019051900000000, 0.0010828700000000, -0.0023797900000000 ] - [ 0.0020117300000000, 0.0000362200000000, -0.0023971300000000 ] - [ -0.0014872200000000, -0.0001096900000000, 0.0028464500000000 ] - [ -0.0025751900000000, -0.0007063300000000, 0.0031426000000000 ] - [ -0.0018970800000000, 0.0000000000000000, 0.0026314700000000 ] - [ -0.0021095200000000, 0.0000000000000000, 0.0026846600000000 ] - [ -0.0014872200000000, 0.0001096900000000, 0.0028464500000000 ] - [ -0.0025751900000000, 0.0007063300000000, 0.0031426000000000 ] - [ -0.0020036800000000, 0.0015114800000000, -0.0003795100000000 ] - [ -0.0018925600000000, -0.0000058500000000, -0.0024257400000000 ] - [ -0.0021162700000000, 0.0000000000000000, -0.0020246600000000 ] - [ -0.0018386800000000, 0.0000000000000000, -0.0024346000000000 ] - [ -0.0020036800000000, -0.0015114800000000, -0.0003795100000000 ] - [ -0.0018925600000000, 0.0000058500000000, -0.0024257400000000 ] - [ 0.0024788800000000, -0.0026475800000000, -0.0059526700000000 ] - [ -0.0001989000000000, -0.0000407300000000, -0.0010297500000000 ] - [ -0.0002715100000000, 0.0000000000000000, -0.0013066500000000 ] - [ -0.0001946200000000, 0.0000000000000000, -0.0008903400000000 ] - [ 0.0024788800000000, 0.0026475800000000, -0.0059526700000000 ] - [ -0.0001989000000000, 0.0000407300000000, -0.0010297500000000 ] - [ -0.0022597200000000, -0.0003313700000000, 0.0021871500000000 ] - [ -0.0025899400000000, -0.0000848400000000, 0.0016278100000000 ] - [ -0.0026859000000000, 0.0000000000000000, 0.0017215800000000 ] - [ -0.0025907700000000, 0.0000000000000000, 0.0016189500000000 ] - [ -0.0022597200000000, 0.0003313700000000, 0.0021871500000000 ] - [ -0.0025899400000000, 0.0000848400000000, 0.0016278100000000 ] - [ 0.0035796100000000, 0.0000000000000000, -0.0021605000000000 ] - [ 0.0011964900000000, 0.0000000000000000, -0.0027226800000000 ] - [ 0.0031930300000000, -0.0008382100000000, -0.0022504400000000 ] - [ 0.0025009500000000, -0.0001646200000000, -0.0017129000000000 ] - [ 0.0031930300000000, 0.0008382100000000, -0.0022504400000000 ] - [ 0.0025009500000000, 0.0001646200000000, -0.0017129000000000 ] - [ -0.0029528500000000, -0.0000126400000000, -0.0010136100000000 ] - [ -0.0023498900000000, 0.0000841600000000, -0.0008492100000000 ] - [ -0.0026088800000000, 0.0000000000000000, -0.0012018500000000 ] - [ -0.0022669200000000, 0.0000000000000000, -0.0010670600000000 ] - [ -0.0029528500000000, 0.0000126400000000, -0.0010136100000000 ] - [ -0.0023498900000000, -0.0000841600000000, -0.0008492100000000 ] - [ -0.0062505400000000, 0.0000000000000000, -0.0300072100000000 ] - [ 0.0025720800000000, 0.0000000000000000, 0.0012021900000000 ] - [ 0.0018334300000000, 0.0012646200000000, 0.0004307600000000 ] - [ 0.0025777300000000, 0.0000375300000000, 0.0012019300000000 ] - [ 0.0018334300000000, -0.0012646200000000, 0.0004307600000000 ] - [ 0.0025777300000000, -0.0000375300000000, 0.0012019300000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003235300000000, 0.0000000000000000, 0.0008046000000000 ] - [ 0.0001309000000000, 0.0000000000000000, 0.0001573900000000 ] - [ -0.0003292900000000, -0.0000141800000000, 0.0005799500000000 ] - [ 0.0000904900000000, 0.0000163300000000, 0.0002312600000000 ] - [ -0.0003292900000000, 0.0000141800000000, 0.0005799500000000 ] - [ 0.0000904900000000, -0.0000163300000000, 0.0002312600000000 ] - [ 0.0005403400000000, -0.0000301100000000, -0.0005000200000000 ] - [ 0.0004763000000000, 0.0018864900000000, 0.0027865600000000 ] - [ 0.0004789300000000, 0.0000000000000000, -0.0004214300000000 ] - [ -0.0004526600000000, 0.0000000000000000, -0.0004701800000000 ] - [ 0.0005403400000000, 0.0000301100000000, -0.0005000200000000 ] - [ 0.0004763000000000, -0.0018864900000000, 0.0027865600000000 ] - [ 0.0002803900000000, 0.0000000000000000, -0.0001512200000000 ] - [ -0.0001721400000000, 0.0000000000000000, -0.0013689600000000 ] - [ 0.0001961500000000, -0.0000022600000000, -0.0002978400000000 ] - [ -0.0003086000000000, 0.0000163500000000, -0.0004480900000000 ] - [ 0.0001961500000000, 0.0000022600000000, -0.0002978400000000 ] - [ -0.0003086000000000, -0.0000163500000000, -0.0004480900000000 ] - [ 0.0010738400000000, -0.0013365700000000, -0.0019298000000000 ] - [ 0.0005924200000000, 0.0000702300000000, 0.0007995700000000 ] - [ -0.0000904300000000, 0.0000000000000000, 0.0002732100000000 ] - [ 0.0004414700000000, 0.0000000000000000, 0.0004427800000000 ] - [ 0.0010738400000000, 0.0013365700000000, -0.0019298000000000 ] - [ 0.0005924200000000, -0.0000702300000000, 0.0007995700000000 ] - [ -0.0406158800000000, 0.0000000000000000, -0.0116439700000000 ] - [ 0.0058085000000000, 0.0000000000000000, 0.0018651100000000 ] - [ 0.0049027200000000, -0.0011243800000000, 0.0018699000000000 ] - [ 0.0056230400000000, -0.0000044300000000, 0.0018176300000000 ] - [ 0.0049027200000000, 0.0011243800000000, 0.0018699000000000 ] - [ 0.0056230400000000, 0.0000044300000000, 0.0018176300000000 ] - [ -0.0046248300000000, 0.0000922200000000, -0.0017980100000000 ] - [ -0.0062497700000000, -0.0001009900000000, -0.0013533700000000 ] - [ -0.0047793100000000, 0.0000000000000000, -0.0016947300000000 ] - [ -0.0056228700000000, 0.0000000000000000, -0.0018072700000000 ] - [ -0.0046248300000000, -0.0000922200000000, -0.0017980100000000 ] - [ -0.0062497700000000, 0.0001009900000000, -0.0013533700000000 ] - [ 0.0053394400000000, 0.0000000000000000, -0.0020985700000000 ] - [ 0.0053379600000000, 0.0000000000000000, -0.0014549300000000 ] - [ 0.0053802000000000, -0.0003632300000000, -0.0020777000000000 ] - [ 0.0053793300000000, 0.0001693500000000, -0.0015176300000000 ] - [ 0.0053802000000000, 0.0003632300000000, -0.0020777000000000 ] - [ 0.0053793300000000, -0.0001693500000000, -0.0015176300000000 ] - [ -0.0050521500000000, -0.0000130700000000, 0.0017659300000000 ] - [ -0.0051346000000000, 0.0000982700000000, 0.0017378400000000 ] - [ -0.0050412100000000, 0.0000000000000000, 0.0017406100000000 ] - [ -0.0052317100000000, 0.0000000000000000, 0.0017756600000000 ] - [ -0.0050521500000000, 0.0000130700000000, 0.0017659300000000 ] - [ -0.0051346000000000, -0.0000982700000000, 0.0017378400000000 ] - [ 0.0013933500000000, 0.0000000000000000, 0.0027304300000000 ] - [ 0.0018297600000000, 0.0000000000000000, 0.0006031800000000 ] - [ 0.0009419600000000, -0.0010780700000000, 0.0023688600000000 ] - [ 0.0010889000000000, 0.0002674100000000, 0.0007403100000000 ] - [ 0.0009419600000000, 0.0010780700000000, 0.0023688600000000 ] - [ 0.0010889000000000, -0.0002674100000000, 0.0007403100000000 ] - [ -0.0012224200000000, -0.0002576700000000, 0.0007666700000000 ] - [ -0.0002766400000000, 0.0000169100000000, 0.0012335100000000 ] - [ -0.0009501400000000, 0.0000000000000000, 0.0010947500000000 ] - [ -0.0003058500000000, 0.0000000000000000, 0.0011863900000000 ] - [ -0.0012224200000000, 0.0002576700000000, 0.0007666700000000 ] - [ -0.0002766400000000, -0.0000169100000000, 0.0012335100000000 ] - [ 0.0009591900000000, 0.0000000000000000, -0.0010979300000000 ] - [ 0.0001376400000000, 0.0000000000000000, -0.0011202200000000 ] - [ 0.0009307900000000, 0.0000065000000000, -0.0011264800000000 ] - [ 0.0003349200000000, 0.0000492300000000, -0.0010214700000000 ] - [ 0.0009307900000000, -0.0000065000000000, -0.0011264800000000 ] - [ 0.0003349200000000, -0.0000492300000000, -0.0010214700000000 ] - [ 0.0004665100000000, -0.0001000800000000, -0.0011880100000000 ] - [ 0.0047622600000000, 0.0033223400000000, -0.0023068600000000 ] - [ -0.0003093900000000, 0.0000000000000000, -0.0010916300000000 ] - [ -0.0010976700000000, 0.0000000000000000, -0.0011940400000000 ] - [ 0.0004665100000000, 0.0001000800000000, -0.0011880100000000 ] - [ 0.0047622600000000, -0.0033223400000000, -0.0023068600000000 ] - [ 0.0011771100000000, 0.0000000000000000, 0.0022618000000000 ] - [ 0.0060077700000000, 0.0000000000000000, 0.0022814200000000 ] - [ 0.0014481700000000, 0.0000835800000000, 0.0022878800000000 ] - [ 0.0029553800000000, -0.0006557800000000, 0.0032662100000000 ] - [ 0.0014481700000000, -0.0000835800000000, 0.0022878800000000 ] - [ 0.0029553800000000, 0.0006557800000000, 0.0032662100000000 ] - [ -0.0009793600000000, 0.0000000000000000, 0.0010369600000000 ] - [ -0.0015232800000000, 0.0000000000000000, -0.0008023400000000 ] - [ -0.0003444200000000, 0.0003788400000000, 0.0007109500000000 ] - [ -0.0001690800000000, -0.0010637700000000, 0.0002280100000000 ] - [ -0.0003444200000000, -0.0003788400000000, 0.0007109500000000 ] - [ -0.0001690800000000, 0.0010637700000000, 0.0002280100000000 ] - [ -0.0004420200000000, -0.0000076900000000, 0.0007884700000000 ] - [ 0.0002623900000000, -0.0000676500000000, 0.0005047500000000 ] - [ -0.0003995700000000, 0.0000000000000000, 0.0007613800000000 ] - [ 0.0001448700000000, 0.0000000000000000, 0.0006012800000000 ] - [ -0.0004420200000000, 0.0000076900000000, 0.0007884700000000 ] - [ 0.0002623900000000, 0.0000676500000000, 0.0005047500000000 ] - [ 0.0030998000000000, 0.0000000000000000, -0.0003025200000000 ] - [ -0.0003613800000000, 0.0000000000000000, -0.0006825100000000 ] - [ 0.0012843300000000, -0.0000465500000000, -0.0006109500000000 ] - [ -0.0002896300000000, -0.0000361000000000, -0.0006832200000000 ] - [ 0.0012843300000000, 0.0000465500000000, -0.0006109500000000 ] - [ -0.0002896300000000, 0.0000361000000000, -0.0006832200000000 ] - [ 0.0021995200000000, 0.0000000000000000, -0.0022871300000000 ] - [ 0.0017542700000000, 0.0000000000000000, -0.0024989600000000 ] - [ 0.0021620900000000, 0.0000624200000000, -0.0023201300000000 ] - [ 0.0017695600000000, -0.0000207300000000, -0.0025174600000000 ] - [ 0.0021620900000000, -0.0000624200000000, -0.0023201300000000 ] - [ 0.0017695600000000, 0.0000207300000000, -0.0025174600000000 ] - [ -0.0023551300000000, 0.0000058200000000, 0.0025089600000000 ] - [ -0.0016020600000000, 0.0000167800000000, 0.0017901400000000 ] - [ -0.0023439900000000, 0.0000000000000000, 0.0024903300000000 ] - [ -0.0016912100000000, 0.0000000000000000, 0.0022522200000000 ] - [ -0.0023551300000000, -0.0000058200000000, 0.0025089600000000 ] - [ -0.0016020600000000, -0.0000167800000000, 0.0017901400000000 ] - [ 0.0020558800000000, -0.0028239100000000, -0.0017145000000000 ] - [ -0.0033867300000000, 0.0000373300000000, -0.0023402100000000 ] - [ -0.0017406700000000, 0.0000000000000000, -0.0021683900000000 ] - [ -0.0023222500000000, 0.0000000000000000, -0.0025109400000000 ] - [ 0.0020558800000000, 0.0028239100000000, -0.0017145000000000 ] - [ -0.0033867300000000, -0.0000373300000000, -0.0023402100000000 ] - [ -0.0002210400000000, 0.0001828000000000, -0.0011775500000000 ] - [ -0.0001760000000000, -0.0001663600000000, -0.0004498100000000 ] - [ -0.0001599300000000, 0.0000000000000000, -0.0010266800000000 ] - [ -0.0000775100000000, 0.0000000000000000, -0.0005302300000000 ] - [ -0.0002210400000000, -0.0001828000000000, -0.0011775500000000 ] - [ -0.0001760000000000, 0.0001663600000000, -0.0004498100000000 ] - [ -0.0025524500000000, -0.0000053500000000, 0.0024890400000000 ] - [ -0.0027660200000000, -0.0000447400000000, 0.0011747700000000 ] - [ -0.0023400400000000, 0.0000000000000000, 0.0014537200000000 ] - [ -0.0027771000000000, 0.0000000000000000, 0.0013783600000000 ] - [ -0.0025524500000000, 0.0000053500000000, 0.0024890400000000 ] - [ -0.0027660200000000, 0.0000447400000000, 0.0011747700000000 ] - [ 0.0024457400000000, 0.0000000000000000, -0.0014979600000000 ] - [ 0.0025874100000000, 0.0000000000000000, -0.0010494300000000 ] - [ 0.0024283400000000, -0.0000016700000000, -0.0014496200000000 ] - [ 0.0027026700000000, -0.0000595000000000, -0.0014156200000000 ] - [ 0.0024283400000000, 0.0000016700000000, -0.0014496200000000 ] - [ 0.0027026700000000, 0.0000595000000000, -0.0014156200000000 ] - [ -0.0031542500000000, -0.0000187400000000, -0.0012874600000000 ] - [ 0.0056032800000000, 0.0132194700000000, 0.0033016500000000 ] - [ -0.0028380300000000, 0.0000000000000000, -0.0014431500000000 ] - [ -0.0020869500000000, 0.0000000000000000, -0.0012753200000000 ] - [ -0.0031542500000000, 0.0000187400000000, -0.0012874600000000 ] - [ 0.0056032800000000, -0.0132194700000000, 0.0033016500000000 ] - [ 0.0032691600000000, 0.0000000000000000, 0.0008244400000000 ] - [ 0.0019471500000000, 0.0000000000000000, 0.0016948900000000 ] - [ 0.0028887200000000, 0.0000292500000000, 0.0012507800000000 ] - [ 0.0022479600000000, -0.0000014400000000, 0.0015220800000000 ] - [ 0.0028887200000000, -0.0000292500000000, 0.0012507800000000 ] - [ 0.0022479600000000, 0.0000014400000000, 0.0015220800000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001365800000000, 0.0000000000000000, -0.0000271900000000 ] - [ -0.0003201000000000, 0.0000000000000000, 0.0006208300000000 ] - [ 0.0001397600000000, 0.0000090300000000, 0.0001934300000000 ] - [ -0.0002825700000000, -0.0000212900000000, 0.0005413500000000 ] - [ 0.0001397600000000, -0.0000090300000000, 0.0001934300000000 ] - [ -0.0002825700000000, 0.0000212900000000, 0.0005413500000000 ] - [ -0.0003500200000000, 0.0000357100000000, -0.0002712900000000 ] - [ -0.0002905800000000, -0.0018785400000000, -0.0035507100000000 ] - [ -0.0002907700000000, 0.0000000000000000, -0.0003560600000000 ] - [ 0.0006412400000000, 0.0000000000000000, -0.0003110700000000 ] - [ -0.0003500200000000, -0.0000357100000000, -0.0002712900000000 ] - [ -0.0002905800000000, 0.0018785400000000, -0.0035507100000000 ] - [ -0.0004704500000000, 0.0000000000000000, -0.0006295200000000 ] - [ -0.0000154900000000, 0.0000000000000000, 0.0005812500000000 ] - [ -0.0003882100000000, -0.0000027100000000, -0.0004764000000000 ] - [ 0.0001163300000000, -0.0000211000000000, -0.0003247100000000 ] - [ -0.0003882100000000, 0.0000027100000000, -0.0004764000000000 ] - [ 0.0001163300000000, 0.0000211000000000, -0.0003247100000000 ] - [ -0.0008848300000000, 0.0013508300000000, 0.0027243200000000 ] - [ -0.0004037800000000, -0.0000645400000000, -0.0000265100000000 ] - [ 0.0002836600000000, 0.0000000000000000, 0.0005032500000000 ] - [ -0.0002552600000000, 0.0000000000000000, 0.0003354700000000 ] - [ -0.0008848300000000, -0.0013508300000000, 0.0027243200000000 ] - [ -0.0004037800000000, 0.0000645400000000, -0.0000265100000000 ] - [ 0.0508329800000000, 0.0000000000000000, 0.0151491400000000 ] - [ 0.0044863900000000, 0.0000000000000000, 0.0016154900000000 ] - [ 0.0054052000000000, 0.0010886100000000, 0.0016194400000000 ] - [ 0.0046747100000000, -0.0000064300000000, 0.0016666400000000 ] - [ 0.0054052000000000, -0.0010886100000000, 0.0016194400000000 ] - [ 0.0046747100000000, 0.0000064300000000, 0.0016666400000000 ] - [ -0.0056753200000000, -0.0000795100000000, -0.0016865300000000 ] - [ -0.0040425800000000, 0.0001075900000000, -0.0021212600000000 ] - [ -0.0055183400000000, 0.0000000000000000, -0.0017856900000000 ] - [ -0.0046716000000000, 0.0000000000000000, -0.0016694100000000 ] - [ -0.0056753200000000, 0.0000795100000000, -0.0016865300000000 ] - [ -0.0040425800000000, -0.0001075900000000, -0.0021212600000000 ] - [ 0.0049583100000000, 0.0000000000000000, -0.0013803200000000 ] - [ 0.0049568300000000, 0.0000000000000000, -0.0020258500000000 ] - [ 0.0049187300000000, 0.0003540500000000, -0.0014045100000000 ] - [ 0.0049178300000000, -0.0001819300000000, -0.0019677000000000 ] - [ 0.0049187300000000, -0.0003540500000000, -0.0014045100000000 ] - [ 0.0049178300000000, 0.0001819300000000, -0.0019677000000000 ] - [ -0.0052463800000000, 0.0000254300000000, 0.0017176200000000 ] - [ -0.0051643900000000, -0.0000850300000000, 0.0017450800000000 ] - [ -0.0052552200000000, 0.0000000000000000, 0.0017394900000000 ] - [ -0.0050656800000000, 0.0000000000000000, 0.0017044100000000 ] - [ -0.0052463800000000, -0.0000254300000000, 0.0017176200000000 ] - [ -0.0051643900000000, 0.0000850300000000, 0.0017450800000000 ] - [ -0.0001092300000000, 0.0000000000000000, -0.0005184500000000 ] - [ -0.0005410400000000, 0.0000000000000000, 0.0016217800000000 ] - [ 0.0003497500000000, 0.0010847300000000, -0.0001606300000000 ] - [ 0.0002033700000000, -0.0002702500000000, 0.0014772900000000 ] - [ 0.0003497500000000, -0.0010847300000000, -0.0001606300000000 ] - [ 0.0002033700000000, 0.0002702500000000, 0.0014772900000000 ] - [ -0.0000664300000000, 0.0002570600000000, 0.0014476900000000 ] - [ -0.0010182500000000, -0.0000134900000000, 0.0009839300000000 ] - [ -0.0003377600000000, 0.0000000000000000, 0.0011278700000000 ] - [ -0.0009853200000000, 0.0000000000000000, 0.0010369100000000 ] - [ -0.0000664300000000, -0.0002570600000000, 0.0014476900000000 ] - [ -0.0010182500000000, 0.0000134900000000, 0.0009839300000000 ] - [ 0.0003297300000000, 0.0000000000000000, -0.0011264600000000 ] - [ 0.0011515300000000, 0.0000000000000000, -0.0011062700000000 ] - [ 0.0003620000000000, -0.0000098500000000, -0.0010914500000000 ] - [ 0.0009587800000000, -0.0000527500000000, -0.0011971400000000 ] - [ 0.0003620000000000, 0.0000098500000000, -0.0010914500000000 ] - [ 0.0009587800000000, 0.0000527500000000, -0.0011971400000000 ] - [ -0.0017662000000000, 0.0001045500000000, -0.0010278200000000 ] - [ -0.0060108700000000, -0.0032941500000000, 0.0000766100000000 ] - [ -0.0009792600000000, 0.0000000000000000, -0.0011316700000000 ] - [ -0.0001957000000000, 0.0000000000000000, -0.0010273200000000 ] - [ -0.0017662000000000, -0.0001045500000000, -0.0010278200000000 ] - [ -0.0060108700000000, 0.0032941500000000, 0.0000766100000000 ] - [ 0.0027852000000000, 0.0000000000000000, 0.0025722600000000 ] - [ -0.0019168000000000, 0.0000000000000000, 0.0024062900000000 ] - [ 0.0025019200000000, -0.0000659000000000, 0.0025466400000000 ] - [ 0.0009978700000000, 0.0006734000000000, 0.0015624800000000 ] - [ 0.0025019200000000, 0.0000659000000000, 0.0025466400000000 ] - [ 0.0009978700000000, -0.0006734000000000, 0.0015624800000000 ] - [ 0.0012478300000000, 0.0000000000000000, 0.0003545800000000 ] - [ 0.0017788100000000, 0.0000000000000000, 0.0021879900000000 ] - [ 0.0006071900000000, -0.0003704600000000, 0.0006882800000000 ] - [ 0.0004412000000000, 0.0010789800000000, 0.0011725500000000 ] - [ 0.0006071900000000, 0.0003704600000000, 0.0006882800000000 ] - [ 0.0004412000000000, -0.0010789800000000, 0.0011725500000000 ] - [ 0.0001806100000000, -0.0000035300000000, 0.0006120000000000 ] - [ -0.0005237900000000, 0.0000550400000000, 0.0008949800000000 ] - [ 0.0001383600000000, 0.0000000000000000, 0.0006364800000000 ] - [ -0.0004066300000000, 0.0000000000000000, 0.0007960900000000 ] - [ 0.0001806100000000, 0.0000035300000000, 0.0006120000000000 ] - [ -0.0005237900000000, -0.0000550400000000, 0.0008949800000000 ] - [ -0.0028466500000000, 0.0000000000000000, -0.0011053100000000 ] - [ 0.0006256300000000, 0.0000000000000000, -0.0007159200000000 ] - [ -0.0010293800000000, 0.0000573900000000, -0.0007851100000000 ] - [ 0.0005539000000000, 0.0000467100000000, -0.0007174200000000 ] - [ -0.0010293800000000, -0.0000573900000000, -0.0007851100000000 ] - [ 0.0005539000000000, -0.0000467100000000, -0.0007174200000000 ] - [ 0.0017580300000000, 0.0000000000000000, -0.0025441900000000 ] - [ 0.0022052500000000, 0.0000000000000000, -0.0023326000000000 ] - [ 0.0017854100000000, -0.0000436600000000, -0.0025125000000000 ] - [ 0.0021801600000000, 0.0000393800000000, -0.0023149300000000 ] - [ 0.0017854100000000, 0.0000436600000000, -0.0025125000000000 ] - [ 0.0021801600000000, -0.0000393800000000, -0.0023149300000000 ] - [ -0.0015926800000000, -0.0000247500000000, 0.0023240600000000 ] - [ -0.0023465700000000, -0.0000359800000000, 0.0030490700000000 ] - [ -0.0016135400000000, 0.0000000000000000, 0.0023419900000000 ] - [ -0.0022676000000000, 0.0000000000000000, 0.0025827900000000 ] - [ -0.0015926800000000, 0.0000247500000000, 0.0023240600000000 ] - [ -0.0023465700000000, 0.0000359800000000, 0.0030490700000000 ] - [ -0.0061175300000000, 0.0029567100000000, -0.0031868500000000 ] - [ -0.0005601400000000, -0.0000561900000000, -0.0024944100000000 ] - [ -0.0022282700000000, 0.0000000000000000, -0.0026710400000000 ] - [ -0.0016336700000000, 0.0000000000000000, -0.0023225300000000 ] - [ -0.0061175300000000, -0.0029567100000000, -0.0031868500000000 ] - [ -0.0005601400000000, 0.0000561900000000, -0.0024944100000000 ] - [ -0.0000417800000000, -0.0001951900000000, -0.0002192000000000 ] - [ -0.0000864300000000, 0.0001542500000000, -0.0009496400000000 ] - [ -0.0001029000000000, 0.0000000000000000, -0.0003690800000000 ] - [ -0.0001832700000000, 0.0000000000000000, -0.0008671000000000 ] - [ -0.0000417800000000, 0.0001951900000000, -0.0002192000000000 ] - [ -0.0000864300000000, -0.0001542500000000, -0.0009496400000000 ] - [ -0.0025824600000000, 0.0000143400000000, 0.0003250000000000 ] - [ -0.0023649900000000, 0.0000524300000000, 0.0016452100000000 ] - [ -0.0027956800000000, 0.0000000000000000, 0.0013622400000000 ] - [ -0.0023550800000000, 0.0000000000000000, 0.0014364700000000 ] - [ -0.0025824600000000, -0.0000143400000000, 0.0003250000000000 ] - [ -0.0023649900000000, -0.0000524300000000, 0.0016452100000000 ] - [ 0.0026884400000000, 0.0000000000000000, -0.0013154600000000 ] - [ 0.0025456000000000, 0.0000000000000000, -0.0017610800000000 ] - [ 0.0027045900000000, -0.0000061700000000, -0.0013697500000000 ] - [ 0.0024307200000000, 0.0000513300000000, -0.0014043000000000 ] - [ 0.0027045900000000, 0.0000061700000000, -0.0013697500000000 ] - [ 0.0024307200000000, -0.0000513300000000, -0.0014043000000000 ] - [ -0.0019752700000000, 0.0000259600000000, -0.0015343100000000 ] - [ -0.0106942400000000, -0.0128260000000000, -0.0059975500000000 ] - [ -0.0022957600000000, 0.0000000000000000, -0.0013718300000000 ] - [ -0.0030362200000000, 0.0000000000000000, -0.0015346000000000 ] - [ -0.0019752700000000, -0.0000259600000000, -0.0015343100000000 ] - [ -0.0106942400000000, 0.0128260000000000, -0.0059975500000000 ] - [ 0.0018568000000000, 0.0000000000000000, 0.0019939700000000 ] - [ 0.0031874700000000, 0.0000000000000000, 0.0011204000000000 ] - [ 0.0022392200000000, -0.0000363100000000, 0.0015701500000000 ] - [ 0.0028857200000000, -0.0000065000000000, 0.0012980900000000 ] - [ 0.0022392200000000, 0.0000363100000000, 0.0015701500000000 ] - [ 0.0028857200000000, 0.0000065000000000, 0.0012980900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000945500000000, -0.0002784900000000, 0.0003902100000000 ] - [ -0.0000947400000000, -0.0000721200000000, 0.0003892500000000 ] - [ -0.0001988200000000, 0.0001825500000000, 0.0000301100000000 ] - [ -0.0000706200000000, 0.0000299800000000, 0.0002828400000000 ] - [ 0.0000069600000000, 0.0001887200000000, 0.0007400400000000 ] - [ -0.0001213600000000, 0.0000354300000000, 0.0004902200000000 ] - [ 0.0000120000000000, -0.0000859300000000, -0.0003099200000000 ] - [ 0.0023895300000000, 0.0019101200000000, 0.0035614900000000 ] - [ 0.0000941300000000, 0.0001997000000000, -0.0003887300000000 ] - [ 0.0000963800000000, 0.0010926100000000, -0.0003871200000000 ] - [ 0.0001790700000000, -0.0000908000000000, -0.0004621800000000 ] - [ -0.0021757400000000, 0.0018959400000000, -0.0043093200000000 ] - [ -0.0000938100000000, -0.0000824900000000, -0.0003882600000000 ] - [ -0.0000949000000000, -0.0001923000000000, -0.0003863500000000 ] - [ -0.0001595600000000, 0.0000334600000000, -0.0005179300000000 ] - [ 0.0000132300000000, 0.0001043800000000, -0.0006222300000000 ] - [ -0.0000326500000000, 0.0000392700000000, -0.0002561200000000 ] - [ -0.0002044300000000, 0.0001101600000000, -0.0001515400000000 ] - [ -0.0012369200000000, 0.0002142200000000, 0.0022869000000000 ] - [ 0.0004108400000000, -0.0002234900000000, 0.0008047200000000 ] - [ 0.0000932900000000, 0.0006378500000000, 0.0003916800000000 ] - [ 0.0000943100000000, 0.0004757000000000, 0.0003895000000000 ] - [ 0.0014261500000000, 0.0002157400000000, -0.0015062600000000 ] - [ -0.0002216000000000, -0.0002275100000000, -0.0000322400000000 ] - [ 0.0046381600000000, -0.0742100100000000, 0.0014684300000000 ] - [ 0.0051473800000000, -0.0004075100000000, 0.0017400800000000 ] - [ 0.0062564100000000, 0.0075105800000000, 0.0023115500000000 ] - [ 0.0051468100000000, 0.0001876900000000, 0.0017787100000000 ] - [ 0.0040456900000000, 0.0074172600000000, 0.0011733900000000 ] - [ 0.0051510000000000, 0.0002000600000000, 0.0017051600000000 ] - [ -0.0050651000000000, -0.0001072800000000, -0.0018769500000000 ] - [ -0.0052540800000000, 0.0007612500000000, -0.0037257400000000 ] - [ -0.0051487000000000, 0.0002419200000000, -0.0017403600000000 ] - [ -0.0051477300000000, 0.0009951300000000, -0.0017419300000000 ] - [ -0.0052346300000000, -0.0001188000000000, -0.0016074100000000 ] - [ -0.0050432500000000, 0.0007493700000000, 0.0002310200000000 ] - [ 0.0051486200000000, -0.0005239700000000, -0.0017398600000000 ] - [ 0.0051480000000000, -0.0005239600000000, -0.0017408200000000 ] - [ 0.0049726300000000, 0.0003579800000000, -0.0015351000000000 ] - [ 0.0055069200000000, 0.0003575800000000, -0.0015226700000000 ] - [ 0.0053261300000000, 0.0003703000000000, -0.0019479500000000 ] - [ 0.0047918900000000, 0.0003706700000000, -0.0019620900000000 ] - [ -0.0051697700000000, -0.0000701600000000, 0.0017485800000000 ] - [ -0.0050590900000000, -0.0000982300000000, 0.0018079800000000 ] - [ -0.0051484800000000, 0.0001580000000000, 0.0017399600000000 ] - [ -0.0051482700000000, 0.0002158600000000, 0.0017402300000000 ] - [ -0.0051290400000000, -0.0000817400000000, 0.0017354100000000 ] - [ -0.0052401600000000, -0.0001096600000000, 0.0016764300000000 ] - [ 0.0006497300000000, -0.0011945800000000, 0.0011161400000000 ] - [ 0.0006415900000000, -0.0004111700000000, 0.0011123400000000 ] - [ 0.0001732800000000, 0.0014406300000000, -0.0000957700000000 ] - [ 0.0010465200000000, 0.0002742600000000, 0.0007938700000000 ] - [ 0.0011203000000000, 0.0014397500000000, 0.0023040500000000 ] - [ 0.0002458900000000, 0.0002788300000000, 0.0014237000000000 ] - [ -0.0008226300000000, -0.0002490800000000, 0.0013782800000000 ] - [ -0.0005788500000000, -0.0000608600000000, 0.0012146900000000 ] - [ -0.0006444100000000, 0.0003450300000000, 0.0011121000000000 ] - [ -0.0006448600000000, 0.0001412200000000, 0.0011119700000000 ] - [ -0.0004682300000000, -0.0002481400000000, 0.0008356800000000 ] - [ -0.0007149300000000, -0.0000640200000000, 0.0010028400000000 ] - [ 0.0006446400000000, -0.0000604900000000, -0.0011116100000000 ] - [ 0.0006449700000000, -0.0004506900000000, -0.0011117400000000 ] - [ 0.0006651900000000, 0.0000272900000000, -0.0011432000000000 ] - [ 0.0006576400000000, 0.0001888000000000, -0.0010665600000000 ] - [ 0.0006275800000000, 0.0000308700000000, -0.0010744600000000 ] - [ 0.0006358000000000, 0.0001930100000000, -0.0011514200000000 ] - [ -0.0014824400000000, -0.0001351600000000, -0.0009972800000000 ] - [ 0.0040984000000000, 0.0020307900000000, -0.0017936200000000 ] - [ -0.0006462100000000, 0.0002229900000000, -0.0011113400000000 ] - [ -0.0006418500000000, 0.0010899200000000, -0.0011113000000000 ] - [ 0.0001850100000000, -0.0001372800000000, -0.0012184500000000 ] - [ -0.0053551000000000, 0.0020190200000000, -0.0004211000000000 ] - [ 0.0019784600000000, 0.0002469700000000, 0.0024175400000000 ] - [ 0.0019740800000000, 0.0029298600000000, 0.0024171700000000 ] - [ 0.0021877300000000, -0.0001083800000000, 0.0024529500000000 ] - [ 0.0018517600000000, -0.0008571400000000, 0.0033325600000000 ] - [ 0.0017625000000000, -0.0001274500000000, 0.0023814900000000 ] - [ 0.0020927200000000, -0.0008839000000000, 0.0015000800000000 ] - [ 0.0001290900000000, 0.0008068200000000, 0.0006993600000000 ] - [ 0.0001351100000000, 0.0023068500000000, 0.0007006500000000 ] - [ 0.0004415300000000, -0.0003909700000000, 0.0006565200000000 ] - [ -0.0009559800000000, -0.0017656100000000, 0.0002846600000000 ] - [ -0.0001790900000000, -0.0004028400000000, 0.0007424800000000 ] - [ 0.0012236600000000, -0.0017851500000000, 0.0011184800000000 ] - [ -0.0001342900000000, 0.0000577000000000, 0.0007453100000000 ] - [ -0.0002053400000000, 0.0002168800000000, 0.0010311000000000 ] - [ -0.0001307000000000, -0.0001234100000000, 0.0006988500000000 ] - [ -0.0001314200000000, -0.0003096700000000, 0.0006993700000000 ] - [ -0.0001278300000000, 0.0000679100000000, 0.0006545700000000 ] - [ -0.0000575800000000, 0.0002260600000000, 0.0003692300000000 ] - [ 0.0001302600000000, 0.0035778800000000, -0.0007090300000000 ] - [ 0.0001315000000000, 0.0002996200000000, -0.0006990400000000 ] - [ 0.0007087300000000, -0.0008456400000000, -0.0013546200000000 ] - [ 0.0000581800000000, -0.0001444200000000, -0.0007473400000000 ] - [ -0.0004484700000000, -0.0008636100000000, -0.0000497900000000 ] - [ 0.0002047200000000, -0.0001558500000000, -0.0006532000000000 ] - [ 0.0019787400000000, 0.0002509300000000, -0.0024157600000000 ] - [ 0.0019795300000000, 0.0000987900000000, -0.0024163300000000 ] - [ 0.0020162200000000, -0.0000946000000000, -0.0024605800000000 ] - [ 0.0019064300000000, -0.0000350600000000, -0.0024691100000000 ] - [ 0.0019319200000000, -0.0001145400000000, -0.0023718900000000 ] - [ 0.0020426200000000, -0.0000542100000000, -0.0023643200000000 ] - [ -0.0019538500000000, 0.0000677300000000, 0.0023701600000000 ] - [ -0.0020446700000000, 0.0002750400000000, 0.0014120600000000 ] - [ -0.0019790800000000, -0.0001565000000000, 0.0024160900000000 ] - [ -0.0019795800000000, -0.0003758000000000, 0.0024157900000000 ] - [ -0.0019946700000000, 0.0000863200000000, 0.0024626900000000 ] - [ -0.0019026200000000, 0.0002932700000000, 0.0034242400000000 ] - [ -0.0052627500000000, 0.0056255200000000, -0.0028799100000000 ] - [ -0.0030972200000000, 0.0002930500000000, -0.0020950700000000 ] - [ -0.0019751000000000, -0.0018057400000000, -0.0024147000000000 ] - [ -0.0019796700000000, -0.0003599300000000, -0.0024158100000000 ] - [ 0.0011272100000000, 0.0054743700000000, -0.0020306600000000 ] - [ -0.0008475200000000, 0.0003111600000000, -0.0027378100000000 ] - [ 0.0000093100000000, 0.0002353500000000, -0.0005372600000000 ] - [ -0.0001803200000000, 0.0001337800000000, -0.0006183600000000 ] - [ -0.0001305500000000, -0.0005184500000000, -0.0006978800000000 ] - [ -0.0001310700000000, -0.0002875900000000, -0.0006988100000000 ] - [ -0.0002708800000000, 0.0002424200000000, -0.0008632400000000 ] - [ -0.0000813300000000, 0.0001435600000000, -0.0007823400000000 ] - [ -0.0023172100000000, 0.0001530200000000, 0.0005523800000000 ] - [ -0.0026017200000000, 0.0001865000000000, 0.0011396500000000 ] - [ -0.0025670300000000, -0.0002278500000000, 0.0014061900000000 ] - [ -0.0025668500000000, -0.0003572600000000, 0.0014072200000000 ] - [ -0.0028183200000000, 0.0001447400000000, 0.0022660900000000 ] - [ -0.0025311600000000, 0.0001782700000000, 0.0016809000000000 ] - [ 0.0025673300000000, 0.0000691300000000, -0.0014076300000000 ] - [ 0.0025673400000000, 0.0001206900000000, -0.0014083900000000 ] - [ 0.0025332400000000, -0.0000374100000000, -0.0013636200000000 ] - [ 0.0024549300000000, -0.0000641300000000, -0.0013303300000000 ] - [ 0.0025996400000000, -0.0000300200000000, -0.0014560400000000 ] - [ 0.0026775600000000, -0.0000570200000000, -0.0014893400000000 ] - [ -0.0022138900000000, 0.0000830300000000, -0.0015417200000000 ] - [ 0.0065948700000000, 0.0181799500000000, 0.0037775000000000 ] - [ -0.0025663200000000, -0.0001625700000000, -0.0014078100000000 ] - [ -0.0025809400000000, -0.0035727000000000, -0.0014144800000000 ] - [ -0.0029172500000000, 0.0000754800000000, -0.0012796800000000 ] - [ -0.0110804300000000, 0.0172340200000000, -0.0062577400000000 ] - [ 0.0025689100000000, 0.0011780000000000, 0.0014058600000000 ] - [ 0.0025679600000000, 0.0000964700000000, 0.0014070200000000 ] - [ 0.0025840400000000, -0.0006459200000000, 0.0016057200000000 ] - [ 0.0023138900000000, -0.0000391600000000, 0.0014939600000000 ] - [ 0.0025471200000000, -0.0006410700000000, 0.0012150600000000 ] - [ 0.0028193000000000, -0.0000315100000000, 0.0013260100000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000354600000000, 0.0000000000000000, 0.0012350500000000 ] - [ -0.0001264800000000, 0.0000000000000000, 0.0006072100000000 ] - [ 0.0000576900000000, -0.0001899500000000, 0.0010494400000000 ] - [ -0.0001025000000000, -0.0000336000000000, 0.0004847900000000 ] - [ 0.0000576900000000, 0.0001899500000000, 0.0010494400000000 ] - [ -0.0001025000000000, 0.0000336000000000, 0.0004847900000000 ] - [ 0.0000218500000000, 0.0000140700000000, -0.0005729600000000 ] - [ 0.0024327400000000, 0.0025857800000000, 0.0033108600000000 ] - [ 0.0000244500000000, 0.0000000000000000, -0.0005258800000000 ] - [ 0.0000506100000000, 0.0000000000000000, -0.0007376100000000 ] - [ 0.0000218500000000, -0.0000140700000000, -0.0005729600000000 ] - [ 0.0024327400000000, -0.0025857800000000, 0.0033108600000000 ] - [ 0.0001201600000000, 0.0000000000000000, -0.0000438200000000 ] - [ -0.0004289300000000, 0.0000000000000000, 0.0007413200000000 ] - [ 0.0000507800000000, -0.0000295000000000, -0.0001633300000000 ] - [ -0.0003047200000000, -0.0001035100000000, -0.0000640800000000 ] - [ 0.0000507800000000, 0.0000295000000000, -0.0001633300000000 ] - [ -0.0003047200000000, 0.0001035100000000, -0.0000640800000000 ] - [ -0.0010059200000000, 0.0010029900000000, 0.0002236700000000 ] - [ 0.0003209700000000, 0.0000514300000000, 0.0002023000000000 ] - [ -0.0000296000000000, 0.0000000000000000, 0.0000899200000000 ] - [ 0.0003094900000000, 0.0000000000000000, 0.0002812000000000 ] - [ -0.0010059200000000, -0.0010029900000000, 0.0002236700000000 ] - [ 0.0003209700000000, -0.0000514300000000, 0.0002023000000000 ] - [ -0.0082564900000000, 0.0000000000000000, -0.0259597400000000 ] - [ 0.0052726800000000, 0.0000000000000000, 0.0015397200000000 ] - [ 0.0052736700000000, -0.0005790800000000, 0.0012173700000000 ] - [ 0.0052247500000000, -0.0000447000000000, 0.0016184700000000 ] - [ 0.0052736700000000, 0.0005790800000000, 0.0012173700000000 ] - [ 0.0052247500000000, 0.0000447000000000, 0.0016184700000000 ] - [ -0.0052052300000000, -0.0001263900000000, -0.0017376600000000 ] - [ -0.0047667800000000, -0.0019605700000000, -0.0001598100000000 ] - [ -0.0051032700000000, 0.0000000000000000, -0.0017440200000000 ] - [ -0.0052167800000000, 0.0000000000000000, -0.0017857900000000 ] - [ -0.0052052300000000, 0.0001263900000000, -0.0017376600000000 ] - [ -0.0047667800000000, 0.0019605700000000, -0.0001598100000000 ] - [ 0.0048623500000000, 0.0000000000000000, -0.0015871600000000 ] - [ 0.0055076700000000, 0.0000000000000000, -0.0015866800000000 ] - [ 0.0049245600000000, 0.0002113300000000, -0.0016000700000000 ] - [ 0.0054864000000000, 0.0001987400000000, -0.0015993300000000 ] - [ 0.0049245600000000, -0.0002113300000000, -0.0016000700000000 ] - [ 0.0054864000000000, -0.0001987400000000, -0.0015993300000000 ] - [ -0.0051740900000000, 0.0000013800000000, 0.0020114700000000 ] - [ -0.0051455100000000, -0.0000577300000000, 0.0020566000000000 ] - [ -0.0051494500000000, 0.0000000000000000, 0.0019872700000000 ] - [ -0.0051837200000000, 0.0000000000000000, 0.0019396800000000 ] - [ -0.0051740900000000, -0.0000013800000000, 0.0020114700000000 ] - [ -0.0051455100000000, 0.0000577300000000, 0.0020566000000000 ] - [ 0.0016709200000000, 0.0000000000000000, 0.0017615400000000 ] - [ -0.0004089900000000, 0.0000000000000000, 0.0012392500000000 ] - [ 0.0009907400000000, -0.0004746300000000, 0.0014689600000000 ] - [ 0.0006330300000000, -0.0000344000000000, 0.0010297900000000 ] - [ 0.0009907400000000, 0.0004746300000000, 0.0014689600000000 ] - [ 0.0006330300000000, 0.0000344000000000, 0.0010297900000000 ] - [ -0.0011707700000000, 0.0009629600000000, 0.0020722100000000 ] - [ -0.0005097300000000, -0.0000006300000000, 0.0012030800000000 ] - [ -0.0007159700000000, 0.0000000000000000, 0.0012996200000000 ] - [ -0.0004858100000000, 0.0000000000000000, 0.0012157400000000 ] - [ -0.0011707700000000, -0.0009629600000000, 0.0020722100000000 ] - [ -0.0005097300000000, 0.0000006300000000, 0.0012030800000000 ] - [ 0.0006827600000000, 0.0000000000000000, -0.0008904600000000 ] - [ 0.0006847000000000, 0.0000000000000000, -0.0003762600000000 ] - [ 0.0006866200000000, -0.0000117900000000, -0.0009120300000000 ] - [ 0.0006522800000000, 0.0001000000000000, -0.0006649600000000 ] - [ 0.0006866200000000, 0.0000117900000000, -0.0009120300000000 ] - [ 0.0006522800000000, -0.0001000000000000, -0.0006649600000000 ] - [ -0.0002800300000000, -0.0000309000000000, -0.0015347900000000 ] - [ -0.0009414500000000, -0.0000801000000000, -0.0021136000000000 ] - [ -0.0005392800000000, 0.0000000000000000, -0.0013951300000000 ] - [ -0.0007781200000000, 0.0000000000000000, -0.0015423300000000 ] - [ -0.0002800300000000, 0.0000309000000000, -0.0015347900000000 ] - [ -0.0009414500000000, 0.0000801000000000, -0.0021136000000000 ] - [ 0.0015698600000000, 0.0000000000000000, 0.0025975900000000 ] - [ 0.0014159800000000, 0.0000000000000000, 0.0048564900000000 ] - [ 0.0017447800000000, 0.0000608700000000, 0.0025315000000000 ] - [ 0.0024312600000000, 0.0002292500000000, 0.0029165100000000 ] - [ 0.0017447800000000, -0.0000608700000000, 0.0025315000000000 ] - [ 0.0024312600000000, -0.0002292500000000, 0.0029165100000000 ] - [ 0.0005675800000000, 0.0000000000000000, 0.0010046900000000 ] - [ -0.0014352000000000, 0.0000000000000000, 0.0012545600000000 ] - [ 0.0003889200000000, -0.0001130600000000, 0.0009450500000000 ] - [ -0.0004607500000000, -0.0005787900000000, 0.0012803600000000 ] - [ 0.0003889200000000, 0.0001130600000000, 0.0009450500000000 ] - [ -0.0004607500000000, 0.0005787900000000, 0.0012803600000000 ] - [ -0.0001637400000000, 0.0000499700000000, 0.0005572100000000 ] - [ 0.0000799500000000, 0.0000217900000000, 0.0000200800000000 ] - [ -0.0001681100000000, 0.0000000000000000, 0.0005944200000000 ] - [ 0.0000895500000000, 0.0000000000000000, 0.0003645200000000 ] - [ -0.0001637400000000, -0.0000499700000000, 0.0005572100000000 ] - [ 0.0000799500000000, -0.0000217900000000, 0.0000200800000000 ] - [ 0.0000782000000000, 0.0000000000000000, 0.0059413700000000 ] - [ 0.0000137800000000, 0.0000000000000000, -0.0006136500000000 ] - [ 0.0005703200000000, -0.0007596300000000, -0.0004015000000000 ] - [ 0.0000190900000000, 0.0000150200000000, -0.0006352900000000 ] - [ 0.0005703200000000, 0.0007596300000000, -0.0004015000000000 ] - [ 0.0000190900000000, -0.0000150200000000, -0.0006352900000000 ] - [ 0.0021546000000000, 0.0000000000000000, -0.0032487500000000 ] - [ 0.0019205900000000, 0.0000000000000000, -0.0026892400000000 ] - [ 0.0021126500000000, -0.0001506700000000, -0.0030219000000000 ] - [ 0.0019362300000000, 0.0000281100000000, -0.0026543800000000 ] - [ 0.0021126500000000, 0.0001506700000000, -0.0030219000000000 ] - [ 0.0019362300000000, -0.0000281100000000, -0.0026543800000000 ] - [ -0.0018731300000000, -0.0000192600000000, 0.0022334800000000 ] - [ -0.0021976100000000, 0.0000114200000000, 0.0012578800000000 ] - [ -0.0019199300000000, 0.0000000000000000, 0.0022368700000000 ] - [ -0.0019765500000000, 0.0000000000000000, 0.0021149900000000 ] - [ -0.0018731300000000, 0.0000192600000000, 0.0022334800000000 ] - [ -0.0021976100000000, -0.0000114200000000, 0.0012578800000000 ] - [ -0.0004729500000000, -0.0013051200000000, -0.0007949300000000 ] - [ -0.0020014000000000, 0.0000932800000000, -0.0021198000000000 ] - [ -0.0019373600000000, 0.0000000000000000, -0.0018478300000000 ] - [ -0.0019983700000000, 0.0000000000000000, -0.0022332700000000 ] - [ -0.0004729500000000, 0.0013051200000000, -0.0007949300000000 ] - [ -0.0020014000000000, -0.0000932800000000, -0.0021198000000000 ] - [ -0.0004801200000000, 0.0001684900000000, -0.0011225800000000 ] - [ 0.0000124700000000, 0.0001562500000000, -0.0008331900000000 ] - [ -0.0003912200000000, 0.0000000000000000, -0.0009490000000000 ] - [ -0.0000491100000000, 0.0000000000000000, -0.0007452700000000 ] - [ -0.0004801200000000, -0.0001684900000000, -0.0011225800000000 ] - [ 0.0000124700000000, -0.0001562500000000, -0.0008331900000000 ] - [ -0.0021453600000000, -0.0000890500000000, 0.0012693400000000 ] - [ -0.0028125900000000, -0.0000381200000000, 0.0014285800000000 ] - [ -0.0025800300000000, 0.0000000000000000, 0.0014648300000000 ] - [ -0.0027457100000000, 0.0000000000000000, 0.0014990600000000 ] - [ -0.0021453600000000, 0.0000890500000000, 0.0012693400000000 ] - [ -0.0028125900000000, 0.0000381200000000, 0.0014285800000000 ] - [ 0.0025642800000000, 0.0000000000000000, -0.0016259800000000 ] - [ 0.0025818000000000, 0.0000000000000000, -0.0020230700000000 ] - [ 0.0025435800000000, 0.0000001900000000, -0.0015784200000000 ] - [ 0.0025260400000000, 0.0000072300000000, -0.0016746200000000 ] - [ 0.0025435800000000, -0.0000001900000000, -0.0015784200000000 ] - [ 0.0025260400000000, -0.0000072300000000, -0.0016746200000000 ] - [ -0.0027230700000000, 0.0000346000000000, -0.0011907300000000 ] - [ 0.0019425200000000, 0.0069547200000000, 0.0005781600000000 ] - [ -0.0026171400000000, 0.0000000000000000, -0.0012504800000000 ] - [ -0.0024072000000000, 0.0000000000000000, -0.0010705400000000 ] - [ -0.0027230700000000, -0.0000346000000000, -0.0011907300000000 ] - [ 0.0019425200000000, -0.0069547200000000, 0.0005781600000000 ] - [ 0.0023685900000000, 0.0000000000000000, 0.0006990700000000 ] - [ 0.0029002400000000, 0.0000000000000000, 0.0011731600000000 ] - [ 0.0019521800000000, 0.0007029100000000, 0.0011748600000000 ] - [ 0.0025226300000000, 0.0000493800000000, 0.0013743300000000 ] - [ 0.0019521800000000, -0.0007029100000000, 0.0011748600000000 ] - [ 0.0025226300000000, -0.0000493800000000, 0.0013743300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002247300000000, 0.0000000000000000, -0.0004573900000000 ] - [ -0.0000621700000000, 0.0000000000000000, 0.0001712000000000 ] - [ -0.0002501300000000, 0.0001854300000000, -0.0002773000000000 ] - [ -0.0000891400000000, 0.0000286200000000, 0.0002893300000000 ] - [ -0.0002501300000000, -0.0001854300000000, -0.0002773000000000 ] - [ -0.0000891400000000, -0.0000286200000000, 0.0002893300000000 ] - [ 0.0001702800000000, -0.0000090900000000, -0.0002002500000000 ] - [ -0.0022266600000000, -0.0025638200000000, -0.0040681600000000 ] - [ 0.0001649200000000, 0.0000000000000000, -0.0002524600000000 ] - [ 0.0001382200000000, 0.0000000000000000, -0.0000424100000000 ] - [ 0.0001702800000000, 0.0000090900000000, -0.0002002500000000 ] - [ -0.0022266600000000, 0.0025638200000000, -0.0040681600000000 ] - [ -0.0003096500000000, 0.0000000000000000, -0.0007342900000000 ] - [ 0.0002405900000000, 0.0000000000000000, -0.0015202000000000 ] - [ -0.0002429400000000, 0.0000244200000000, -0.0006095300000000 ] - [ 0.0001138800000000, 0.0000986700000000, -0.0007082000000000 ] - [ -0.0002429400000000, -0.0000244200000000, -0.0006095300000000 ] - [ 0.0001138800000000, -0.0000986700000000, -0.0007082000000000 ] - [ 0.0012017600000000, -0.0010005000000000, 0.0005333900000000 ] - [ -0.0001296700000000, -0.0000459200000000, 0.0005690900000000 ] - [ 0.0002184800000000, 0.0000000000000000, 0.0006875300000000 ] - [ -0.0001208500000000, 0.0000000000000000, 0.0004964500000000 ] - [ 0.0012017600000000, 0.0010005000000000, 0.0005333900000000 ] - [ -0.0001296700000000, 0.0000459200000000, 0.0005690900000000 ] - [ 0.0185361600000000, 0.0000000000000000, 0.0292571200000000 ] - [ 0.0050233100000000, 0.0000000000000000, 0.0019408600000000 ] - [ 0.0050232400000000, 0.0005627800000000, 0.0022637300000000 ] - [ 0.0050738300000000, 0.0000325200000000, 0.0018656200000000 ] - [ 0.0050232400000000, -0.0005627800000000, 0.0022637300000000 ] - [ 0.0050738300000000, -0.0000325200000000, 0.0018656200000000 ] - [ -0.0050937900000000, 0.0001394900000000, -0.0017455300000000 ] - [ -0.0055349100000000, 0.0019926500000000, -0.0033347200000000 ] - [ -0.0051942600000000, 0.0000000000000000, -0.0017357900000000 ] - [ -0.0050789800000000, 0.0000000000000000, -0.0016924700000000 ] - [ -0.0050937900000000, -0.0001394900000000, -0.0017455300000000 ] - [ -0.0055349100000000, -0.0019926500000000, -0.0033347200000000 ] - [ 0.0054332700000000, 0.0000000000000000, -0.0018948600000000 ] - [ 0.0047894400000000, 0.0000000000000000, -0.0018943600000000 ] - [ 0.0053746200000000, -0.0002244300000000, -0.0018861600000000 ] - [ 0.0048132000000000, -0.0002104400000000, -0.0018854300000000 ] - [ 0.0053746200000000, 0.0002244300000000, -0.0018861600000000 ] - [ 0.0048132000000000, 0.0002104400000000, -0.0018854300000000 ] - [ -0.0051258500000000, 0.0000109100000000, 0.0014729200000000 ] - [ -0.0051528400000000, 0.0000701600000000, 0.0014274900000000 ] - [ -0.0051484200000000, 0.0000000000000000, 0.0014931400000000 ] - [ -0.0051125700000000, 0.0000000000000000, 0.0015409200000000 ] - [ -0.0051258500000000, -0.0000109100000000, 0.0014729200000000 ] - [ -0.0051528400000000, -0.0000701600000000, 0.0014274900000000 ] - [ -0.0003879900000000, 0.0000000000000000, 0.0004619400000000 ] - [ 0.0017050400000000, 0.0000000000000000, 0.0009846000000000 ] - [ 0.0003037900000000, 0.0004716900000000, 0.0007490900000000 ] - [ 0.0006588000000000, 0.0000306900000000, 0.0011896800000000 ] - [ 0.0003037900000000, -0.0004716900000000, 0.0007490900000000 ] - [ 0.0006588000000000, -0.0000306900000000, 0.0011896800000000 ] - [ -0.0001263100000000, -0.0009463500000000, 0.0001519600000000 ] - [ -0.0007834900000000, 0.0000040800000000, 0.0010141300000000 ] - [ -0.0005739200000000, 0.0000000000000000, 0.0009227600000000 ] - [ -0.0008033900000000, 0.0000000000000000, 0.0010077800000000 ] - [ -0.0001263100000000, 0.0009463500000000, 0.0001519600000000 ] - [ -0.0007834900000000, -0.0000040800000000, 0.0010141300000000 ] - [ 0.0006064000000000, 0.0000000000000000, -0.0013335000000000 ] - [ 0.0006049500000000, 0.0000000000000000, -0.0018468800000000 ] - [ 0.0006062300000000, 0.0000085300000000, -0.0013058800000000 ] - [ 0.0006420900000000, -0.0001030700000000, -0.0015521300000000 ] - [ 0.0006062300000000, -0.0000085300000000, -0.0013058800000000 ] - [ 0.0006420900000000, 0.0001030700000000, -0.0015521300000000 ] - [ -0.0010139000000000, 0.0000338500000000, -0.0006813900000000 ] - [ -0.0003730500000000, 0.0000774600000000, -0.0000975000000000 ] - [ -0.0007504800000000, 0.0000000000000000, -0.0008275400000000 ] - [ -0.0005120200000000, 0.0000000000000000, -0.0006805900000000 ] - [ -0.0010139000000000, -0.0000338500000000, -0.0006813900000000 ] - [ -0.0003730500000000, -0.0000774600000000, -0.0000975000000000 ] - [ 0.0023892300000000, 0.0000000000000000, 0.0022344000000000 ] - [ 0.0026767800000000, 0.0000000000000000, -0.0001381800000000 ] - [ 0.0022045900000000, -0.0000422600000000, 0.0023015400000000 ] - [ 0.0015149200000000, -0.0002085800000000, 0.0019116300000000 ] - [ 0.0022045900000000, 0.0000422600000000, 0.0023015400000000 ] - [ 0.0015149200000000, 0.0002085800000000, 0.0019116300000000 ] - [ -0.0003100200000000, 0.0000000000000000, 0.0003940900000000 ] - [ 0.0016911900000000, 0.0000000000000000, 0.0001486000000000 ] - [ -0.0001283900000000, 0.0001251700000000, 0.0004545400000000 ] - [ 0.0007245900000000, 0.0005916300000000, 0.0001250800000000 ] - [ -0.0001283900000000, -0.0001251700000000, 0.0004545400000000 ] - [ 0.0007245900000000, -0.0005916300000000, 0.0001250800000000 ] - [ -0.0000980900000000, -0.0000611900000000, 0.0008429700000000 ] - [ -0.0003423500000000, -0.0000325500000000, 0.0013797900000000 ] - [ -0.0000931900000000, 0.0000000000000000, 0.0008030900000000 ] - [ -0.0003520200000000, 0.0000000000000000, 0.0010331000000000 ] - [ -0.0000980900000000, 0.0000611900000000, 0.0008429700000000 ] - [ -0.0003423500000000, 0.0000325500000000, 0.0013797900000000 ] - [ 0.0001119900000000, 0.0000000000000000, -0.0068807400000000 ] - [ 0.0002479800000000, 0.0000000000000000, -0.0007834000000000 ] - [ -0.0003064100000000, 0.0007687800000000, -0.0009942400000000 ] - [ 0.0002429500000000, -0.0000039800000000, -0.0007642300000000 ] - [ -0.0003064100000000, -0.0007687800000000, -0.0009942400000000 ] - [ 0.0002429500000000, 0.0000039800000000, -0.0007642300000000 ] - [ 0.0018065200000000, 0.0000000000000000, -0.0015869800000000 ] - [ 0.0020377700000000, 0.0000000000000000, -0.0021426500000000 ] - [ 0.0018373900000000, 0.0001685000000000, -0.0018116900000000 ] - [ 0.0020122200000000, -0.0000092500000000, -0.0021785800000000 ] - [ 0.0018373900000000, -0.0001685000000000, -0.0018116900000000 ] - [ 0.0020122200000000, 0.0000092500000000, -0.0021785800000000 ] - [ -0.0020756200000000, 0.0000000000000000, 0.0026007200000000 ] - [ -0.0017536300000000, -0.0000307500000000, 0.0035743700000000 ] - [ -0.0020390400000000, 0.0000000000000000, 0.0025967700000000 ] - [ -0.0019826700000000, 0.0000000000000000, 0.0027187100000000 ] - [ -0.0020756200000000, 0.0000000000000000, 0.0026007200000000 ] - [ -0.0017536300000000, 0.0000307500000000, 0.0035743700000000 ] - [ -0.0035043500000000, 0.0013126300000000, -0.0040323500000000 ] - [ -0.0019428300000000, -0.0001134600000000, -0.0027149700000000 ] - [ -0.0020234500000000, 0.0000000000000000, -0.0029879800000000 ] - [ -0.0019592100000000, 0.0000000000000000, -0.0025990300000000 ] - [ -0.0035043500000000, -0.0013126300000000, -0.0040323500000000 ] - [ -0.0019428300000000, 0.0001134600000000, -0.0027149700000000 ] - [ 0.0002187500000000, -0.0001793400000000, -0.0002772300000000 ] - [ -0.0002754700000000, -0.0001682600000000, -0.0005669300000000 ] - [ 0.0001302600000000, 0.0000000000000000, -0.0004487100000000 ] - [ -0.0002133500000000, 0.0000000000000000, -0.0006530400000000 ] - [ 0.0002187500000000, 0.0001793400000000, -0.0002772300000000 ] - [ -0.0002754700000000, 0.0001682600000000, -0.0005669300000000 ] - [ -0.0029829200000000, 0.0000949300000000, 0.0015579800000000 ] - [ -0.0023208000000000, 0.0000458100000000, 0.0013923800000000 ] - [ -0.0025528900000000, 0.0000000000000000, 0.0013509900000000 ] - [ -0.0023883800000000, 0.0000000000000000, 0.0013166000000000 ] - [ -0.0029829200000000, -0.0000949300000000, 0.0015579800000000 ] - [ -0.0023208000000000, -0.0000458100000000, 0.0013923800000000 ] - [ 0.0025698600000000, 0.0000000000000000, -0.0011885500000000 ] - [ 0.0025507200000000, 0.0000000000000000, -0.0007908900000000 ] - [ 0.0025897100000000, -0.0000080100000000, -0.0012413300000000 ] - [ 0.0026062200000000, -0.0000151000000000, -0.0011453200000000 ] - [ 0.0025897100000000, 0.0000080100000000, -0.0012413300000000 ] - [ 0.0026062200000000, 0.0000151000000000, -0.0011453200000000 ] - [ -0.0024094000000000, -0.0000268100000000, -0.0016293500000000 ] - [ -0.0070607300000000, -0.0069405000000000, -0.0034937900000000 ] - [ -0.0025164500000000, 0.0000000000000000, -0.0015641900000000 ] - [ -0.0027240400000000, 0.0000000000000000, -0.0017421900000000 ] - [ -0.0024094000000000, 0.0000268100000000, -0.0016293500000000 ] - [ -0.0070607300000000, 0.0069405000000000, -0.0034937900000000 ] - [ 0.0027613600000000, 0.0000000000000000, 0.0021060600000000 ] - [ 0.0022316700000000, 0.0000000000000000, 0.0016427800000000 ] - [ 0.0031834400000000, -0.0007128100000000, 0.0016444700000000 ] - [ 0.0026111700000000, -0.0000575600000000, 0.0014452000000000 ] - [ 0.0031834400000000, 0.0007128100000000, 0.0016444700000000 ] - [ 0.0026111700000000, 0.0000575600000000, 0.0014452000000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000616000000000, 0.0000000000000000, -0.0056530100000000 ] - [ 0.0004789700000000, 0.0000000000000000, 0.0005189100000000 ] - [ -0.0009522200000000, 0.0000462800000000, 0.0000054100000000 ] - [ 0.0003999300000000, -0.0001844900000000, 0.0005561600000000 ] - [ -0.0009522200000000, -0.0000462800000000, 0.0000054100000000 ] - [ 0.0003999300000000, 0.0001844900000000, 0.0005561600000000 ] - [ 0.0002048300000000, -0.0000715500000000, -0.0011995000000000 ] - [ 0.0002166400000000, 0.0000789000000000, -0.0000379800000000 ] - [ 0.0001372700000000, 0.0000000000000000, -0.0005485300000000 ] - [ 0.0001738200000000, 0.0000000000000000, -0.0000421500000000 ] - [ 0.0002048300000000, 0.0000715500000000, -0.0011995000000000 ] - [ 0.0002166400000000, -0.0000789000000000, -0.0000379800000000 ] - [ 0.0024279100000000, 0.0000000000000000, 0.0050438500000000 ] - [ 0.0007401700000000, 0.0000000000000000, -0.0008497600000000 ] - [ -0.0002505700000000, -0.0004198900000000, -0.0001552600000000 ] - [ 0.0004870900000000, 0.0003141500000000, -0.0008628000000000 ] - [ -0.0002505700000000, 0.0004198900000000, -0.0001552600000000 ] - [ 0.0004870900000000, -0.0003141500000000, -0.0008628000000000 ] - [ -0.0005829300000000, -0.0000327900000000, 0.0007765000000000 ] - [ 0.0005351000000000, -0.0000609200000000, 0.0003256900000000 ] - [ -0.0003424200000000, 0.0000000000000000, 0.0004659400000000 ] - [ 0.0004831100000000, 0.0000000000000000, 0.0003637400000000 ] - [ -0.0005829300000000, 0.0000327900000000, 0.0007765000000000 ] - [ 0.0005351000000000, 0.0000609200000000, 0.0003256900000000 ] - [ 0.0058986000000000, 0.0000000000000000, 0.0027700000000000 ] - [ 0.0063293800000000, 0.0000000000000000, 0.0006903600000000 ] - [ 0.0054420700000000, 0.0004621000000000, 0.0020834500000000 ] - [ 0.0055918200000000, -0.0004068400000000, 0.0017293000000000 ] - [ 0.0054420700000000, -0.0004621000000000, 0.0020834500000000 ] - [ 0.0055918200000000, 0.0004068400000000, 0.0017293000000000 ] - [ -0.0040373300000000, -0.0008212800000000, -0.0013773000000000 ] - [ 0.0002687100000000, 0.0047700500000000, -0.0020269100000000 ] - [ -0.0048136000000000, 0.0000000000000000, -0.0016350700000000 ] - [ -0.0056004000000000, 0.0000000000000000, -0.0018733400000000 ] - [ -0.0040373300000000, 0.0008212800000000, -0.0013773000000000 ] - [ 0.0002687100000000, -0.0047700500000000, -0.0020269100000000 ] - [ 0.0046426200000000, 0.0000000000000000, -0.0017796800000000 ] - [ 0.0054623800000000, 0.0000000000000000, -0.0017781300000000 ] - [ 0.0048385100000000, -0.0000189600000000, -0.0017468700000000 ] - [ 0.0054332400000000, -0.0000266800000000, -0.0017820100000000 ] - [ 0.0048385100000000, 0.0000189600000000, -0.0017468700000000 ] - [ 0.0054332400000000, 0.0000266800000000, -0.0017820100000000 ] - [ -0.0057248400000000, -0.0001688300000000, 0.0022659800000000 ] - [ -0.0047798100000000, 0.0000755900000000, 0.0016053500000000 ] - [ -0.0054539600000000, 0.0000000000000000, 0.0018116500000000 ] - [ -0.0048093800000000, 0.0000000000000000, 0.0015812900000000 ] - [ -0.0057248400000000, 0.0001688300000000, 0.0022659800000000 ] - [ -0.0047798100000000, -0.0000755900000000, 0.0016053500000000 ] - [ -0.0682029700000000, 0.0000000000000000, 0.0125228000000000 ] - [ 0.0015073100000000, 0.0000000000000000, 0.0010819600000000 ] - [ -0.0008188600000000, -0.0003442100000000, 0.0009384000000000 ] - [ 0.0014547900000000, -0.0000899300000000, 0.0010904000000000 ] - [ -0.0008188600000000, 0.0003442100000000, 0.0009384000000000 ] - [ 0.0014547900000000, 0.0000899300000000, 0.0010904000000000 ] - [ -0.0008746500000000, 0.0001437700000000, 0.0010664300000000 ] - [ -0.0002629700000000, -0.0000901800000000, 0.0010628600000000 ] - [ -0.0009127200000000, 0.0000000000000000, 0.0011376600000000 ] - [ -0.0004067600000000, 0.0000000000000000, 0.0010654200000000 ] - [ -0.0008746500000000, -0.0001437700000000, 0.0010664300000000 ] - [ -0.0002629700000000, 0.0000901800000000, 0.0010628600000000 ] - [ 0.0012356900000000, 0.0000000000000000, -0.0001785800000000 ] - [ 0.0012343800000000, 0.0000000000000000, -0.0016146300000000 ] - [ 0.0006627000000000, -0.0001280000000000, -0.0009692100000000 ] - [ 0.0006609100000000, 0.0001422800000000, -0.0013306000000000 ] - [ 0.0006627000000000, 0.0001280000000000, -0.0009692100000000 ] - [ 0.0006609100000000, -0.0001422800000000, -0.0013306000000000 ] - [ 0.0005828100000000, -0.0020242400000000, -0.0034527500000000 ] - [ 0.0000358400000000, 0.0000844300000000, -0.0007807500000000 ] - [ -0.0009583400000000, 0.0000000000000000, -0.0011098900000000 ] - [ -0.0000369500000000, 0.0000000000000000, -0.0006202800000000 ] - [ 0.0005828100000000, 0.0020242400000000, -0.0034527500000000 ] - [ 0.0000358400000000, -0.0000844300000000, -0.0007807500000000 ] - [ 0.0066715600000000, 0.0000000000000000, 0.0017355200000000 ] - [ 0.0002644000000000, 0.0000000000000000, 0.0016315900000000 ] - [ 0.0019682800000000, 0.0010329000000000, 0.0020779400000000 ] - [ 0.0010257500000000, -0.0006862800000000, 0.0019013200000000 ] - [ 0.0019682800000000, -0.0010329000000000, 0.0020779400000000 ] - [ 0.0010257500000000, 0.0006862800000000, 0.0019013200000000 ] - [ 0.0007289500000000, 0.0000000000000000, 0.0016864900000000 ] - [ -0.0003246400000000, 0.0000000000000000, 0.0004591300000000 ] - [ 0.0006320400000000, 0.0003674400000000, 0.0011787000000000 ] - [ -0.0002381200000000, 0.0000193400000000, 0.0004625000000000 ] - [ 0.0006320400000000, -0.0003674400000000, 0.0011787000000000 ] - [ -0.0002381200000000, -0.0000193400000000, 0.0004625000000000 ] - [ -0.0007357200000000, 0.0007116100000000, 0.0003883300000000 ] - [ -0.0007887800000000, -0.0008891900000000, 0.0019527700000000 ] - [ -0.0002113900000000, 0.0000000000000000, 0.0005943200000000 ] - [ -0.0001080900000000, 0.0000000000000000, 0.0009486700000000 ] - [ -0.0007357200000000, -0.0007116100000000, 0.0003883300000000 ] - [ -0.0007887800000000, 0.0008891900000000, 0.0019527700000000 ] - [ 0.0004457600000000, 0.0000000000000000, -0.0010107000000000 ] - [ -0.0003097500000000, 0.0000000000000000, -0.0003325500000000 ] - [ 0.0004225200000000, -0.0000481000000000, -0.0008911000000000 ] - [ -0.0002059100000000, 0.0001427000000000, -0.0005319300000000 ] - [ 0.0004225200000000, 0.0000481000000000, -0.0008911000000000 ] - [ -0.0002059100000000, -0.0001427000000000, -0.0005319300000000 ] - [ 0.0027681200000000, 0.0000000000000000, -0.0015670500000000 ] - [ 0.0014045100000000, 0.0000000000000000, -0.0024392500000000 ] - [ 0.0023749000000000, -0.0000146300000000, -0.0023215900000000 ] - [ 0.0016407600000000, 0.0000466200000000, -0.0024262400000000 ] - [ 0.0023749000000000, 0.0000146300000000, -0.0023215900000000 ] - [ 0.0016407600000000, -0.0000466200000000, -0.0024262400000000 ] - [ -0.0018275500000000, 0.0001663700000000, 0.0023453900000000 ] - [ -0.0021274400000000, -0.0001080600000000, 0.0025404200000000 ] - [ -0.0019227200000000, 0.0000000000000000, 0.0024023200000000 ] - [ -0.0020492400000000, 0.0000000000000000, 0.0024756300000000 ] - [ -0.0018275500000000, -0.0001663700000000, 0.0023453900000000 ] - [ -0.0021274400000000, 0.0001080600000000, 0.0025404200000000 ] - [ 0.0034756400000000, 0.0049435000000000, 0.0014128700000000 ] - [ -0.0028256000000000, 0.0001316500000000, -0.0023857900000000 ] - [ -0.0012703100000000, 0.0000000000000000, -0.0024964600000000 ] - [ -0.0025974100000000, 0.0000000000000000, -0.0024188200000000 ] - [ 0.0034756400000000, -0.0049435000000000, 0.0014128700000000 ] - [ -0.0028256000000000, -0.0001316500000000, -0.0023857900000000 ] - [ 0.0029525900000000, 0.0008985000000000, -0.0016417900000000 ] - [ -0.0008743800000000, -0.0000297200000000, -0.0007761300000000 ] - [ 0.0005074000000000, 0.0000000000000000, -0.0006462900000000 ] - [ -0.0007193400000000, 0.0000000000000000, -0.0007826100000000 ] - [ 0.0029525900000000, -0.0008985000000000, -0.0016417900000000 ] - [ -0.0008743800000000, 0.0000297200000000, -0.0007761300000000 ] - [ -0.0022840100000000, -0.0000307700000000, 0.0012526200000000 ] - [ -0.0028243500000000, -0.0000016800000000, 0.0014497300000000 ] - [ -0.0023581200000000, 0.0000000000000000, 0.0013919700000000 ] - [ -0.0027417300000000, 0.0000000000000000, 0.0014458900000000 ] - [ -0.0022840100000000, 0.0000307700000000, 0.0012526200000000 ] - [ -0.0028243500000000, 0.0000016800000000, 0.0014497300000000 ] - [ 0.0032877700000000, 0.0000000000000000, -0.0031658000000000 ] - [ 0.0022276300000000, 0.0000000000000000, -0.0011448700000000 ] - [ 0.0026416200000000, 0.0001054000000000, -0.0016133000000000 ] - [ 0.0024382100000000, -0.0000015500000000, -0.0011204500000000 ] - [ 0.0026416200000000, -0.0001054000000000, -0.0016133000000000 ] - [ 0.0024382100000000, 0.0000015500000000, -0.0011204500000000 ] - [ -0.0034848900000000, 0.0000908300000000, -0.0008724200000000 ] - [ -0.0028924200000000, -0.0003350600000000, -0.0017231500000000 ] - [ -0.0023851500000000, 0.0000000000000000, -0.0012852800000000 ] - [ -0.0028425700000000, 0.0000000000000000, -0.0016508300000000 ] - [ -0.0034848900000000, -0.0000908300000000, -0.0008724200000000 ] - [ -0.0028924200000000, 0.0003350600000000, -0.0017231500000000 ] - [ 0.0344505600000000, 0.0000000000000000, -0.0116948000000000 ] - [ 0.0019387800000000, 0.0000000000000000, 0.0013839900000000 ] - [ 0.0039856700000000, -0.0013079600000000, 0.0018292700000000 ] - [ 0.0019550200000000, 0.0004412400000000, 0.0012826700000000 ] - [ 0.0039856700000000, 0.0013079600000000, 0.0018292700000000 ] - [ 0.0019550200000000, -0.0004412400000000, 0.0012826700000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002474100000000, 0.0000000000000000, 0.0064112800000000 ] - [ -0.0006700900000000, 0.0000000000000000, 0.0002568700000000 ] - [ 0.0007582200000000, -0.0000543400000000, 0.0007686700000000 ] - [ -0.0005932400000000, 0.0001808800000000, 0.0002141400000000 ] - [ 0.0007582200000000, 0.0000543400000000, 0.0007686700000000 ] - [ -0.0005932400000000, -0.0001808800000000, 0.0002141400000000 ] - [ -0.0000121700000000, 0.0000772800000000, 0.0004319200000000 ] - [ -0.0000259200000000, -0.0000736500000000, -0.0007355500000000 ] - [ 0.0000522500000000, 0.0000000000000000, -0.0002286500000000 ] - [ 0.0000135200000000, 0.0000000000000000, -0.0007378300000000 ] - [ -0.0000121700000000, -0.0000772800000000, 0.0004319200000000 ] - [ -0.0000259200000000, 0.0000736500000000, -0.0007355500000000 ] - [ -0.0026224100000000, 0.0000000000000000, -0.0058745900000000 ] - [ -0.0009358300000000, 0.0000000000000000, 0.0000728200000000 ] - [ 0.0000657900000000, 0.0004135700000000, -0.0006191100000000 ] - [ -0.0006813000000000, -0.0003200700000000, 0.0000879200000000 ] - [ 0.0000657900000000, -0.0004135700000000, -0.0006191100000000 ] - [ -0.0006813000000000, 0.0003200700000000, 0.0000879200000000 ] - [ 0.0007781600000000, 0.0000374500000000, -0.0000067700000000 ] - [ -0.0003455400000000, 0.0000667100000000, 0.0004490900000000 ] - [ 0.0005337000000000, 0.0000000000000000, 0.0003117400000000 ] - [ -0.0002957600000000, 0.0000000000000000, 0.0004155000000000 ] - [ 0.0007781600000000, -0.0000374500000000, -0.0000067700000000 ] - [ -0.0003455400000000, -0.0000667100000000, 0.0004490900000000 ] - [ 0.0043960200000000, 0.0000000000000000, 0.0007111100000000 ] - [ 0.0039586300000000, 0.0000000000000000, 0.0028044700000000 ] - [ 0.0048498400000000, -0.0004812300000000, 0.0013966000000000 ] - [ 0.0047063100000000, 0.0003975600000000, 0.0017550900000000 ] - [ 0.0048498400000000, 0.0004812300000000, 0.0013966000000000 ] - [ 0.0047063100000000, -0.0003975600000000, 0.0017550900000000 ] - [ -0.0062702300000000, 0.0008424000000000, -0.0021111700000000 ] - [ -0.0105048400000000, -0.0046878600000000, -0.0014587100000000 ] - [ -0.0054836500000000, 0.0000000000000000, -0.0018463200000000 ] - [ -0.0046986000000000, 0.0000000000000000, -0.0016072200000000 ] - [ -0.0062702300000000, -0.0008424000000000, -0.0021111700000000 ] - [ -0.0105048400000000, 0.0046878600000000, -0.0014587100000000 ] - [ 0.0056566600000000, 0.0000000000000000, -0.0017000600000000 ] - [ 0.0048329900000000, 0.0000000000000000, -0.0017018100000000 ] - [ 0.0054624600000000, 0.0000066100000000, -0.0017367900000000 ] - [ 0.0048644700000000, 0.0000147500000000, -0.0017016600000000 ] - [ 0.0054624600000000, -0.0000066100000000, -0.0017367900000000 ] - [ 0.0048644700000000, -0.0000147500000000, -0.0017016600000000 ] - [ -0.0045690000000000, 0.0001818300000000, 0.0012215300000000 ] - [ -0.0055215500000000, -0.0000642400000000, 0.0018790700000000 ] - [ -0.0048417300000000, 0.0000000000000000, 0.0016696300000000 ] - [ -0.0054890500000000, 0.0000000000000000, 0.0018989600000000 ] - [ -0.0045690000000000, -0.0001818300000000, 0.0012215300000000 ] - [ -0.0055215500000000, 0.0000642400000000, 0.0018790700000000 ] - [ 0.0683580300000000, 0.0000000000000000, -0.0096377400000000 ] - [ -0.0002226100000000, 0.0000000000000000, 0.0011413300000000 ] - [ 0.0021160800000000, 0.0003313500000000, 0.0012782900000000 ] - [ -0.0001649600000000, 0.0000877800000000, 0.0011268300000000 ] - [ 0.0021160800000000, -0.0003313500000000, 0.0012782900000000 ] - [ -0.0001649600000000, -0.0000877800000000, 0.0011268300000000 ] - [ -0.0004182500000000, -0.0001411200000000, 0.0011519700000000 ] - [ -0.0010315500000000, 0.0000942500000000, 0.0011555200000000 ] - [ -0.0003760800000000, 0.0000000000000000, 0.0010862900000000 ] - [ -0.0008830900000000, 0.0000000000000000, 0.0011589500000000 ] - [ -0.0004182500000000, 0.0001411200000000, 0.0011519700000000 ] - [ -0.0010315500000000, -0.0000942500000000, 0.0011555200000000 ] - [ 0.0000506900000000, 0.0000000000000000, -0.0020519000000000 ] - [ 0.0000493700000000, 0.0000000000000000, -0.0006050300000000 ] - [ 0.0006326800000000, 0.0001252800000000, -0.0012483300000000 ] - [ 0.0006308700000000, -0.0001462000000000, -0.0008862600000000 ] - [ 0.0006326800000000, -0.0001252800000000, -0.0012483300000000 ] - [ 0.0006308700000000, 0.0001462000000000, -0.0008862600000000 ] - [ -0.0018733500000000, 0.0020404600000000, 0.0012497800000000 ] - [ -0.0013322800000000, -0.0000815300000000, -0.0014359700000000 ] - [ -0.0003275700000000, 0.0000000000000000, -0.0011144000000000 ] - [ -0.0012560300000000, 0.0000000000000000, -0.0016005200000000 ] - [ -0.0018733500000000, -0.0020404600000000, 0.0012497800000000 ] - [ -0.0013322800000000, 0.0000815300000000, -0.0014359700000000 ] - [ -0.0031711500000000, 0.0000000000000000, 0.0031902000000000 ] - [ 0.0037058300000000, 0.0000000000000000, 0.0032047500000000 ] - [ 0.0019767700000000, -0.0010228300000000, 0.0027576600000000 ] - [ 0.0029273900000000, 0.0007056700000000, 0.0029302100000000 ] - [ 0.0019767700000000, 0.0010228300000000, 0.0027576600000000 ] - [ 0.0029273900000000, -0.0007056700000000, 0.0029302100000000 ] - [ -0.0004727600000000, 0.0000000000000000, -0.0002913100000000 ] - [ 0.0005885500000000, 0.0000000000000000, 0.0009390000000000 ] - [ -0.0003728000000000, -0.0003583700000000, 0.0002188200000000 ] - [ 0.0005027000000000, -0.0000089600000000, 0.0009378900000000 ] - [ -0.0003728000000000, 0.0003583700000000, 0.0002188200000000 ] - [ 0.0005027000000000, 0.0000089600000000, 0.0009378900000000 ] - [ 0.0004733500000000, -0.0007259900000000, 0.0010141600000000 ] - [ 0.0005365100000000, 0.0008881300000000, -0.0005560100000000 ] - [ -0.0000530500000000, 0.0000000000000000, 0.0008040500000000 ] - [ -0.0001509200000000, 0.0000000000000000, 0.0004484800000000 ] - [ 0.0004733500000000, 0.0007259900000000, 0.0010141600000000 ] - [ 0.0005365100000000, -0.0008881300000000, -0.0005560100000000 ] - [ -0.0001840400000000, 0.0000000000000000, -0.0003864800000000 ] - [ 0.0005733900000000, 0.0000000000000000, -0.0010683100000000 ] - [ -0.0001611600000000, 0.0000591100000000, -0.0005080900000000 ] - [ 0.0004694100000000, -0.0001327000000000, -0.0008693000000000 ] - [ -0.0001611600000000, -0.0000591100000000, -0.0005080900000000 ] - [ 0.0004694100000000, 0.0001327000000000, -0.0008693000000000 ] - [ 0.0011883000000000, 0.0000000000000000, -0.0032750700000000 ] - [ 0.0025568700000000, 0.0000000000000000, -0.0023930800000000 ] - [ 0.0015734100000000, 0.0000341400000000, -0.0025135700000000 ] - [ 0.0023087400000000, -0.0000278400000000, -0.0024068700000000 ] - [ 0.0015734100000000, -0.0000341400000000, -0.0025135700000000 ] - [ 0.0023087400000000, 0.0000278400000000, -0.0024068700000000 ] - [ -0.0021235200000000, -0.0001865600000000, 0.0024871800000000 ] - [ -0.0018196300000000, 0.0000901100000000, 0.0022919600000000 ] - [ -0.0020368700000000, 0.0000000000000000, 0.0024293200000000 ] - [ -0.0019082900000000, 0.0000000000000000, 0.0023569200000000 ] - [ -0.0021235200000000, 0.0001865600000000, 0.0024871800000000 ] - [ -0.0018196300000000, -0.0000901100000000, 0.0022919600000000 ] - [ -0.0074406300000000, -0.0048947600000000, -0.0061781000000000 ] - [ -0.0011182400000000, -0.0001521000000000, -0.0024488200000000 ] - [ -0.0026895500000000, 0.0000000000000000, -0.0023323000000000 ] - [ -0.0013587900000000, 0.0000000000000000, -0.0024148300000000 ] - [ -0.0074406300000000, 0.0048947600000000, -0.0061781000000000 ] - [ -0.0011182400000000, 0.0001521000000000, -0.0024488200000000 ] - [ -0.0032308800000000, -0.0009100800000000, 0.0002452100000000 ] - [ 0.0006160500000000, 0.0000193800000000, -0.0006222800000000 ] - [ -0.0007714900000000, 0.0000000000000000, -0.0007540700000000 ] - [ 0.0004602700000000, 0.0000000000000000, -0.0006139000000000 ] - [ -0.0032308800000000, 0.0009100800000000, 0.0002452100000000 ] - [ 0.0006160500000000, -0.0000193800000000, -0.0006222800000000 ] - [ -0.0028499600000000, 0.0000385900000000, 0.0015683500000000 ] - [ -0.0023072200000000, 0.0000095100000000, 0.0013693800000000 ] - [ -0.0027763100000000, 0.0000000000000000, 0.0014229000000000 ] - [ -0.0023913600000000, 0.0000000000000000, 0.0013683400000000 ] - [ -0.0028499600000000, -0.0000385900000000, 0.0015683500000000 ] - [ -0.0023072200000000, -0.0000095100000000, 0.0013693800000000 ] - [ 0.0018385100000000, 0.0000000000000000, 0.0003601800000000 ] - [ 0.0029091800000000, 0.0000000000000000, -0.0016708700000000 ] - [ 0.0024896900000000, -0.0001126200000000, -0.0012065900000000 ] - [ 0.0026960000000000, -0.0000059100000000, -0.0016991800000000 ] - [ 0.0024896900000000, 0.0001126200000000, -0.0012065900000000 ] - [ 0.0026960000000000, 0.0000059100000000, -0.0016991800000000 ] - [ -0.0016475200000000, -0.0000853000000000, -0.0019501500000000 ] - [ -0.0022371600000000, 0.0003428300000000, -0.0010960100000000 ] - [ -0.0027510700000000, 0.0000000000000000, -0.0015302100000000 ] - [ -0.0022863700000000, 0.0000000000000000, -0.0011625300000000 ] - [ -0.0016475200000000, 0.0000853000000000, -0.0019501500000000 ] - [ -0.0022371600000000, -0.0003428300000000, -0.0010960100000000 ] - [ -0.0278040500000000, 0.0000000000000000, 0.0136605200000000 ] - [ 0.0031998900000000, 0.0000000000000000, 0.0014327800000000 ] - [ 0.0011525000000000, 0.0013009000000000, 0.0009898700000000 ] - [ 0.0031821500000000, -0.0004546700000000, 0.0015394700000000 ] - [ 0.0011525000000000, -0.0013009000000000, 0.0009898700000000 ] - [ 0.0031821500000000, 0.0004546700000000, 0.0015394700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000960600000000, -0.0016895300000000, 0.0004046900000000 ] - [ -0.0000945400000000, -0.0000661400000000, 0.0003902200000000 ] - [ 0.0004448400000000, 0.0007279900000000, -0.0001362800000000 ] - [ -0.0000926100000000, 0.0000226600000000, 0.0003942200000000 ] - [ -0.0006326100000000, 0.0007335000000000, 0.0009105100000000 ] - [ -0.0000994500000000, 0.0000283300000000, 0.0003811500000000 ] - [ -0.0000387600000000, -0.0000802200000000, 0.0000569700000000 ] - [ 0.0001282700000000, -0.0001007300000000, -0.0003628500000000 ] - [ 0.0000939300000000, 0.0001733000000000, -0.0003900000000000 ] - [ 0.0000949500000000, 0.0002919400000000, -0.0003891300000000 ] - [ 0.0002298100000000, -0.0000851000000000, -0.0008341200000000 ] - [ 0.0000635800000000, -0.0001051200000000, -0.0004123900000000 ] - [ -0.0000913600000000, -0.0013802500000000, -0.0003836400000000 ] - [ -0.0000957200000000, -0.0002339900000000, -0.0003893000000000 ] - [ -0.0006902500000000, 0.0006234700000000, -0.0007561500000000 ] - [ 0.0000540500000000, 0.0001424000000000, -0.0006005000000000 ] - [ 0.0004957900000000, 0.0006278300000000, -0.0000193000000000 ] - [ -0.0002461100000000, 0.0001490000000000, -0.0001733900000000 ] - [ -0.0001966900000000, -0.0001903800000000, 0.0017740300000000 ] - [ 0.0000891400000000, -0.0000310300000000, 0.0003992100000000 ] - [ 0.0000936900000000, 0.0002769500000000, 0.0003908900000000 ] - [ 0.0000944300000000, 0.0000634000000000, 0.0003900300000000 ] - [ 0.0003847300000000, -0.0001944200000000, -0.0009935500000000 ] - [ 0.0001024600000000, -0.0000360000000000, 0.0003756100000000 ] - [ 0.0051470900000000, -0.0011858900000000, 0.0017382600000000 ] - [ 0.0051493600000000, -0.0004024800000000, 0.0017402800000000 ] - [ 0.0062321000000000, 0.0014302500000000, 0.0022139400000000 ] - [ 0.0048803300000000, 0.0002653500000000, 0.0017732000000000 ] - [ 0.0040715700000000, 0.0014412700000000, 0.0012713300000000 ] - [ 0.0054202300000000, 0.0002789200000000, 0.0017117900000000 ] - [ -0.0052532000000000, -0.0001352700000000, -0.0017761500000000 ] - [ -0.0018454800000000, 0.0020188700000000, -0.0018241100000000 ] - [ -0.0051491400000000, 0.0002316800000000, -0.0017404000000000 ] - [ -0.0051479800000000, 0.0010986600000000, -0.0017411000000000 ] - [ -0.0050463300000000, -0.0001460200000000, -0.0017077500000000 ] - [ -0.0084595000000000, 0.0020219100000000, -0.0016630500000000 ] - [ 0.0051483800000000, -0.0004419700000000, -0.0017397000000000 ] - [ 0.0051488000000000, -0.0000517500000000, -0.0017405800000000 ] - [ 0.0050974600000000, 0.0001805300000000, -0.0016388800000000 ] - [ 0.0051406900000000, 0.0000183900000000, -0.0017508000000000 ] - [ 0.0052017400000000, 0.0001924100000000, -0.0018457500000000 ] - [ 0.0051592900000000, 0.0000308500000000, -0.0017341400000000 ] - [ -0.0054089000000000, -0.0002479600000000, 0.0007869900000000 ] - [ -0.0051361300000000, -0.0000611300000000, 0.0017470300000000 ] - [ -0.0051489400000000, 0.0003537700000000, 0.0017403900000000 ] - [ -0.0051489900000000, 0.0001499700000000, 0.0017410700000000 ] - [ -0.0048919000000000, -0.0002581700000000, 0.0026925700000000 ] - [ -0.0051643200000000, -0.0000726600000000, 0.0017386600000000 ] - [ 0.0005680600000000, -0.0342914000000000, 0.0009401400000000 ] - [ 0.0006448200000000, -0.0000613300000000, 0.0011110100000000 ] - [ 0.0009853600000000, 0.0030480600000000, 0.0008493000000000 ] - [ 0.0007339100000000, 0.0000292000000000, 0.0011192900000000 ] - [ 0.0003134800000000, 0.0030313600000000, 0.0013649300000000 ] - [ 0.0005599800000000, 0.0000329500000000, 0.0010967300000000 ] - [ -0.0005059300000000, -0.0000893200000000, 0.0012692900000000 ] - [ -0.0007413000000000, -0.0000266200000000, 0.0011302800000000 ] - [ -0.0006449100000000, 0.0001803800000000, 0.0011114600000000 ] - [ -0.0006454900000000, 0.0000623800000000, 0.0011111600000000 ] - [ -0.0007870300000000, -0.0000918800000000, 0.0009485900000000 ] - [ -0.0005530300000000, -0.0000298100000000, 0.0010858300000000 ] - [ 0.0006449200000000, -0.0001414900000000, -0.0011106000000000 ] - [ 0.0006437600000000, -0.0001414900000000, -0.0011097600000000 ] - [ 0.0005003200000000, 0.0000672800000000, -0.0012161800000000 ] - [ 0.0007721900000000, 0.0000670200000000, -0.0012026500000000 ] - [ 0.0007926300000000, 0.0000708600000000, -0.0010004000000000 ] - [ 0.0005227500000000, 0.0000711600000000, -0.0010128700000000 ] - [ -0.0026794400000000, 0.0001695200000000, 0.0002501600000000 ] - [ -0.0005659300000000, -0.0001417400000000, -0.0010556900000000 ] - [ -0.0006465900000000, 0.0004751700000000, -0.0011102500000000 ] - [ -0.0006436500000000, 0.0005331800000000, -0.0011121900000000 ] - [ 0.0013890900000000, 0.0001727000000000, -0.0024699200000000 ] - [ -0.0007280700000000, -0.0001444000000000, -0.0011611800000000 ] - [ 0.0019854900000000, 0.0015870900000000, 0.0024122100000000 ] - [ 0.0019815600000000, 0.0009316800000000, 0.0024187100000000 ] - [ 0.0028106600000000, -0.0005973300000000, 0.0023067800000000 ] - [ 0.0015480700000000, -0.0004123000000000, 0.0022160600000000 ] - [ 0.0011414200000000, -0.0006181600000000, 0.0025244900000000 ] - [ 0.0024021000000000, -0.0004335700000000, 0.0026221000000000 ] - [ 0.0001319500000000, 0.0008680400000000, 0.0007015700000000 ] - [ 0.0001307400000000, 0.0000875800000000, 0.0006990800000000 ] - [ 0.0002302700000000, -0.0004314200000000, 0.0004518600000000 ] - [ 0.0000707200000000, -0.0000447200000000, 0.0006556800000000 ] - [ 0.0000348800000000, -0.0004437300000000, 0.0009492400000000 ] - [ 0.0001905200000000, -0.0000560700000000, 0.0007441600000000 ] - [ 0.0000417300000000, 0.0001688000000000, 0.0007646700000000 ] - [ -0.0002966900000000, 0.0003313200000000, 0.0011810900000000 ] - [ -0.0001301200000000, -0.0003448400000000, 0.0006988200000000 ] - [ -0.0001319000000000, -0.0005148100000000, 0.0006987000000000 ] - [ -0.0003032000000000, 0.0001781600000000, 0.0006349600000000 ] - [ 0.0000368300000000, 0.0003361000000000, 0.0002152100000000 ] - [ 0.0001300800000000, 0.0003527600000000, -0.0006983900000000 ] - [ 0.0001307200000000, 0.0001860800000000, -0.0006983400000000 ] - [ 0.0000265800000000, -0.0001619600000000, -0.0008778400000000 ] - [ 0.0002098900000000, -0.0000847100000000, -0.0007571300000000 ] - [ 0.0002350500000000, -0.0001730400000000, -0.0005232900000000 ] - [ 0.0000522800000000, -0.0000965200000000, -0.0006422900000000 ] - [ 0.0019777300000000, 0.0003193400000000, -0.0024198600000000 ] - [ 0.0019796700000000, 0.0000280200000000, -0.0024171100000000 ] - [ 0.0019329800000000, -0.0001464000000000, -0.0022251900000000 ] - [ 0.0020262300000000, -0.0000043900000000, -0.0024181600000000 ] - [ 0.0020148500000000, -0.0001655300000000, -0.0026096400000000 ] - [ 0.0019234300000000, -0.0000234900000000, -0.0024167700000000 ] - [ -0.0018610200000000, 0.0000819200000000, 0.0024172200000000 ] - [ -0.0020494800000000, 0.0000435700000000, 0.0024277300000000 ] - [ -0.0019790500000000, -0.0001959500000000, 0.0024172900000000 ] - [ -0.0019797800000000, -0.0000908500000000, 0.0024166000000000 ] - [ -0.0020867000000000, 0.0001006700000000, 0.0024185600000000 ] - [ -0.0018999900000000, 0.0000617900000000, 0.0024061300000000 ] - [ 0.0015546700000000, 0.0095402600000000, 0.0034186600000000 ] - [ -0.0019360500000000, 0.0000541700000000, -0.0024042900000000 ] - [ -0.0019801400000000, -0.0016935600000000, -0.0024188500000000 ] - [ -0.0019797800000000, -0.0001361600000000, -0.0024170800000000 ] - [ -0.0053375200000000, 0.0093123200000000, -0.0079815200000000 ] - [ -0.0020135800000000, 0.0000728100000000, -0.0024304800000000 ] - [ -0.0003795200000000, 0.0038521000000000, -0.0018117800000000 ] - [ -0.0001899900000000, 0.0000592000000000, -0.0006826800000000 ] - [ -0.0001311500000000, -0.0014275500000000, -0.0006962300000000 ] - [ -0.0001307600000000, -0.0001273600000000, -0.0006987000000000 ] - [ 0.0000992700000000, 0.0037515200000000, 0.0002721100000000 ] - [ -0.0000716100000000, 0.0000696500000000, -0.0007170900000000 ] - [ -0.0023928500000000, 0.0000773200000000, 0.0008034700000000 ] - [ -0.0025248000000000, 0.0000082600000000, 0.0014147400000000 ] - [ -0.0025669100000000, -0.0001715200000000, 0.0014070000000000 ] - [ -0.0025667300000000, -0.0000066800000000, 0.0014074100000000 ] - [ -0.0027400600000000, 0.0000700000000000, 0.0020130000000000 ] - [ -0.0026079000000000, 0.0000003300000000, 0.0014053500000000 ] - [ 0.0025677700000000, 0.0004198100000000, -0.0014086000000000 ] - [ 0.0025672500000000, 0.0000359300000000, -0.0014076300000000 ] - [ 0.0025734800000000, -0.0002575600000000, -0.0011081300000000 ] - [ 0.0024790200000000, -0.0000202300000000, -0.0013166300000000 ] - [ 0.0025598400000000, -0.0002494400000000, -0.0017106000000000 ] - [ 0.0026532300000000, -0.0000125800000000, -0.0015038500000000 ] - [ -0.0016278300000000, 0.0001808600000000, -0.0017132100000000 ] - [ -0.0025548100000000, 0.0003891200000000, -0.0014660000000000 ] - [ -0.0025659400000000, -0.0001867000000000, -0.0014072600000000 ] - [ -0.0025683800000000, -0.0013113800000000, -0.0014083900000000 ] - [ -0.0035088600000000, 0.0001731500000000, -0.0011041900000000 ] - [ -0.0025797000000000, 0.0003780600000000, -0.0013540500000000 ] - [ 0.0024970100000000, -0.0004544600000000, 0.0014345000000000 ] - [ 0.0025667900000000, 0.0001392600000000, 0.0014073700000000 ] - [ 0.0018111600000000, -0.0011327100000000, 0.0018647500000000 ] - [ 0.0025391900000000, -0.0000639200000000, 0.0014051200000000 ] - [ 0.0033125400000000, -0.0011278300000000, 0.0009577800000000 ] - [ 0.0025935200000000, -0.0000567600000000, 0.0014145900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0030677800000000, 0.0000000000000000, 0.0082163000000000 ] - [ 0.0000967900000000, 0.0000000000000000, 0.0001783900000000 ] - [ -0.0007853000000000, -0.0008435300000000, 0.0002603800000000 ] - [ 0.0000408300000000, -0.0000589100000000, 0.0001779700000000 ] - [ -0.0007853000000000, 0.0008435300000000, 0.0002603800000000 ] - [ 0.0000408300000000, 0.0000589100000000, 0.0001779700000000 ] - [ -0.0000835200000000, 0.0000471800000000, 0.0002808600000000 ] - [ 0.0002919200000000, 0.0000857400000000, 0.0000658900000000 ] - [ 0.0000092400000000, 0.0000000000000000, -0.0001794700000000 ] - [ 0.0003312400000000, 0.0000000000000000, 0.0001185200000000 ] - [ -0.0000835200000000, -0.0000471800000000, 0.0002808600000000 ] - [ 0.0002919200000000, -0.0000857400000000, 0.0000658900000000 ] - [ 0.0038163700000000, 0.0000000000000000, 0.0019056300000000 ] - [ -0.0005272400000000, 0.0000000000000000, -0.0005238200000000 ] - [ 0.0005767700000000, -0.0006945400000000, -0.0005815200000000 ] - [ -0.0003811600000000, -0.0001751300000000, -0.0004912100000000 ] - [ 0.0005767700000000, 0.0006945400000000, -0.0005815200000000 ] - [ -0.0003811600000000, 0.0001751300000000, -0.0004912100000000 ] - [ -0.0000558300000000, 0.0001460100000000, 0.0018075500000000 ] - [ 0.0000534600000000, 0.0000116100000000, 0.0005864000000000 ] - [ 0.0000755000000000, 0.0000000000000000, 0.0006771600000000 ] - [ 0.0000765000000000, 0.0000000000000000, 0.0005995000000000 ] - [ -0.0000558300000000, -0.0001460100000000, 0.0018075500000000 ] - [ 0.0000534600000000, -0.0000116100000000, 0.0005864000000000 ] - [ 0.0067753200000000, 0.0000000000000000, 0.0023905900000000 ] - [ 0.0046404000000000, 0.0000000000000000, 0.0018669000000000 ] - [ 0.0064175400000000, 0.0011992600000000, 0.0021031600000000 ] - [ 0.0047810800000000, 0.0003123400000000, 0.0016621400000000 ] - [ 0.0064175400000000, -0.0011992600000000, 0.0021031600000000 ] - [ 0.0047810800000000, -0.0003123400000000, 0.0016621400000000 ] - [ -0.0052293100000000, 0.0001129800000000, -0.0021691200000000 ] - [ -0.0063460900000000, -0.0006893500000000, -0.0027497300000000 ] - [ -0.0051289600000000, 0.0000000000000000, -0.0020244100000000 ] - [ -0.0052322900000000, 0.0000000000000000, -0.0021714500000000 ] - [ -0.0052293100000000, -0.0001129800000000, -0.0021691200000000 ] - [ -0.0063460900000000, 0.0006893500000000, -0.0027497300000000 ] - [ 0.0051555100000000, 0.0000000000000000, -0.0010050100000000 ] - [ 0.0051349500000000, 0.0000000000000000, -0.0015191400000000 ] - [ 0.0050618200000000, 0.0000392400000000, -0.0012987100000000 ] - [ 0.0051678000000000, -0.0000374600000000, -0.0015456000000000 ] - [ 0.0050618200000000, -0.0000392400000000, -0.0012987100000000 ] - [ 0.0051678000000000, 0.0000374600000000, -0.0015456000000000 ] - [ -0.0048099900000000, -0.0002699800000000, 0.0027037800000000 ] - [ -0.0052747400000000, -0.0001029100000000, 0.0018372300000000 ] - [ -0.0051322700000000, 0.0000000000000000, 0.0019290600000000 ] - [ -0.0052236700000000, 0.0000000000000000, 0.0018449500000000 ] - [ -0.0048099900000000, 0.0002699800000000, 0.0027037800000000 ] - [ -0.0052747400000000, 0.0001029100000000, 0.0018372300000000 ] - [ 0.0114837700000000, 0.0000000000000000, -0.0417260500000000 ] - [ 0.0006155500000000, 0.0000000000000000, 0.0008050400000000 ] - [ 0.0004761200000000, 0.0002555400000000, -0.0005772800000000 ] - [ 0.0006289100000000, -0.0000100500000000, 0.0007846300000000 ] - [ 0.0004761200000000, -0.0002555400000000, -0.0005772800000000 ] - [ 0.0006289100000000, 0.0000100500000000, 0.0007846300000000 ] - [ -0.0006042400000000, -0.0001615000000000, 0.0018214500000000 ] - [ -0.0006005000000000, -0.0000237900000000, 0.0014053500000000 ] - [ -0.0006710000000000, 0.0000000000000000, 0.0015207800000000 ] - [ -0.0005984500000000, 0.0000000000000000, 0.0013650200000000 ] - [ -0.0006042400000000, 0.0001615000000000, 0.0018214500000000 ] - [ -0.0006005000000000, 0.0000237900000000, 0.0014053500000000 ] - [ 0.0011516400000000, 0.0000000000000000, -0.0003980900000000 ] - [ -0.0002906400000000, 0.0000000000000000, -0.0004002800000000 ] - [ 0.0008688500000000, -0.0000938100000000, -0.0008075800000000 ] - [ 0.0005078700000000, -0.0001065700000000, -0.0008073000000000 ] - [ 0.0008688500000000, 0.0000938100000000, -0.0008075800000000 ] - [ 0.0005078700000000, 0.0001065700000000, -0.0008073000000000 ] - [ -0.0030036900000000, 0.0013607900000000, -0.0001369800000000 ] - [ -0.0003187600000000, 0.0000513800000000, -0.0014201100000000 ] - [ -0.0006428700000000, 0.0000000000000000, -0.0012843700000000 ] - [ -0.0001538000000000, 0.0000000000000000, -0.0014792100000000 ] - [ -0.0030036900000000, -0.0013607900000000, -0.0001369800000000 ] - [ -0.0003187600000000, -0.0000513800000000, -0.0014201100000000 ] - [ 0.0015313200000000, 0.0000000000000000, 0.0044878600000000 ] - [ 0.0023276300000000, 0.0000000000000000, 0.0034340000000000 ] - [ 0.0020475400000000, -0.0002814500000000, 0.0033598000000000 ] - [ 0.0021346500000000, 0.0002203000000000, 0.0031711600000000 ] - [ 0.0020475400000000, 0.0002814500000000, 0.0033598000000000 ] - [ 0.0021346500000000, -0.0002203000000000, 0.0031711600000000 ] - [ 0.0006173100000000, 0.0000000000000000, -0.0005330500000000 ] - [ -0.0001357100000000, 0.0000000000000000, 0.0005590000000000 ] - [ 0.0001806300000000, -0.0003903400000000, 0.0003009800000000 ] - [ -0.0001146600000000, 0.0000457300000000, 0.0005829300000000 ] - [ 0.0001806300000000, 0.0003903400000000, 0.0003009800000000 ] - [ -0.0001146600000000, -0.0000457300000000, 0.0005829300000000 ] - [ -0.0008710200000000, 0.0004765900000000, 0.0006415400000000 ] - [ 0.0010808700000000, 0.0009872600000000, 0.0006015400000000 ] - [ -0.0004627700000000, 0.0000000000000000, 0.0007135600000000 ] - [ 0.0001626400000000, 0.0000000000000000, 0.0007255600000000 ] - [ -0.0008710200000000, -0.0004765900000000, 0.0006415400000000 ] - [ 0.0010808700000000, -0.0009872600000000, 0.0006015400000000 ] - [ 0.0000524100000000, 0.0000000000000000, -0.0013333900000000 ] - [ 0.0003512800000000, 0.0000000000000000, -0.0010134800000000 ] - [ 0.0001619700000000, -0.0000643200000000, -0.0011479400000000 ] - [ 0.0002783000000000, -0.0000533100000000, -0.0009316100000000 ] - [ 0.0001619700000000, 0.0000643200000000, -0.0011479400000000 ] - [ 0.0002783000000000, 0.0000533100000000, -0.0009316100000000 ] - [ 0.0018221300000000, 0.0000000000000000, -0.0042626400000000 ] - [ 0.0018340900000000, 0.0000000000000000, -0.0026520400000000 ] - [ 0.0021272500000000, 0.0001975900000000, -0.0030438600000000 ] - [ 0.0019161200000000, 0.0000276600000000, -0.0026211500000000 ] - [ 0.0021272500000000, -0.0001975900000000, -0.0030438600000000 ] - [ 0.0019161200000000, -0.0000276600000000, -0.0026211500000000 ] - [ -0.0020259700000000, 0.0000782000000000, 0.0016964300000000 ] - [ -0.0018966500000000, 0.0001382800000000, 0.0019072300000000 ] - [ -0.0019331500000000, 0.0000000000000000, 0.0019524700000000 ] - [ -0.0019359900000000, 0.0000000000000000, 0.0019899300000000 ] - [ -0.0020259700000000, -0.0000782000000000, 0.0016964300000000 ] - [ -0.0018966500000000, -0.0001382800000000, 0.0019072300000000 ] - [ 0.0009602800000000, 0.0059800900000000, 0.0052048300000000 ] - [ -0.0018725100000000, -0.0000265600000000, -0.0021490600000000 ] - [ -0.0017847800000000, 0.0000000000000000, -0.0019357000000000 ] - [ -0.0019885800000000, 0.0000000000000000, -0.0021461800000000 ] - [ 0.0009602800000000, -0.0059800900000000, 0.0052048300000000 ] - [ -0.0018725100000000, 0.0000265600000000, -0.0021490600000000 ] - [ -0.0000453100000000, -0.0007974200000000, 0.0038230800000000 ] - [ 0.0000144400000000, 0.0000638900000000, -0.0005188900000000 ] - [ -0.0001409400000000, 0.0000000000000000, -0.0002274600000000 ] - [ -0.0000131400000000, 0.0000000000000000, -0.0005400600000000 ] - [ -0.0000453100000000, 0.0007974200000000, 0.0038230800000000 ] - [ 0.0000144400000000, -0.0000638900000000, -0.0005188900000000 ] - [ -0.0025325800000000, 0.0000242400000000, 0.0005982500000000 ] - [ -0.0026078600000000, 0.0000237400000000, 0.0012402100000000 ] - [ -0.0025810600000000, 0.0000000000000000, 0.0011566300000000 ] - [ -0.0026011200000000, 0.0000000000000000, 0.0012360900000000 ] - [ -0.0025325800000000, -0.0000242400000000, 0.0005982500000000 ] - [ -0.0026078600000000, -0.0000237400000000, 0.0012402100000000 ] - [ 0.0024609300000000, 0.0000000000000000, -0.0022961600000000 ] - [ 0.0028791800000000, 0.0000000000000000, -0.0013681800000000 ] - [ 0.0023044800000000, 0.0003140000000000, -0.0015429400000000 ] - [ 0.0026214700000000, 0.0000319600000000, -0.0014710500000000 ] - [ 0.0023044800000000, -0.0003140000000000, -0.0015429400000000 ] - [ 0.0026214700000000, -0.0000319600000000, -0.0014710500000000 ] - [ -0.0016603400000000, 0.0000793000000000, -0.0018784300000000 ] - [ -0.0031088200000000, -0.0003849200000000, -0.0015885100000000 ] - [ -0.0026508600000000, 0.0000000000000000, -0.0014978700000000 ] - [ -0.0032016700000000, 0.0000000000000000, -0.0017289100000000 ] - [ -0.0016603400000000, -0.0000793000000000, -0.0018784300000000 ] - [ -0.0031088200000000, 0.0003849200000000, -0.0015885100000000 ] - [ -0.0125687800000000, 0.0000000000000000, 0.0074200300000000 ] - [ 0.0025120900000000, 0.0000000000000000, 0.0016735100000000 ] - [ 0.0023430500000000, 0.0003446800000000, 0.0019778400000000 ] - [ 0.0025617300000000, -0.0000546500000000, 0.0016159400000000 ] - [ 0.0023430500000000, -0.0003446800000000, 0.0019778400000000 ] - [ 0.0025617300000000, 0.0000546500000000, 0.0016159400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0029037100000000, 0.0000000000000000, -0.0074891900000000 ] - [ -0.0002852100000000, 0.0000000000000000, 0.0006007500000000 ] - [ 0.0005997900000000, 0.0008397300000000, 0.0005151300000000 ] - [ -0.0002322300000000, 0.0000529000000000, 0.0005964200000000 ] - [ 0.0005997900000000, -0.0008397300000000, 0.0005151300000000 ] - [ -0.0002322300000000, -0.0000529000000000, 0.0005964200000000 ] - [ 0.0002744900000000, -0.0000422100000000, -0.0010546500000000 ] - [ -0.0000996500000000, -0.0000803900000000, -0.0008390100000000 ] - [ 0.0001793000000000, 0.0000000000000000, -0.0006000200000000 ] - [ -0.0001412100000000, 0.0000000000000000, -0.0008955600000000 ] - [ 0.0002744900000000, 0.0000422100000000, -0.0010546500000000 ] - [ -0.0000996500000000, 0.0000803900000000, -0.0008390100000000 ] - [ -0.0040221500000000, 0.0000000000000000, -0.0026652800000000 ] - [ 0.0003368800000000, 0.0000000000000000, -0.0002531600000000 ] - [ -0.0007731400000000, 0.0006906500000000, -0.0001920200000000 ] - [ 0.0001892500000000, 0.0001693800000000, -0.0002813100000000 ] - [ -0.0007731400000000, -0.0006906500000000, -0.0001920200000000 ] - [ 0.0001892500000000, -0.0001693800000000, -0.0002813100000000 ] - [ 0.0002465000000000, -0.0001397100000000, -0.0010326500000000 ] - [ 0.0001383400000000, -0.0000065900000000, 0.0001878000000000 ] - [ 0.0001126400000000, 0.0000000000000000, 0.0001024200000000 ] - [ 0.0001125200000000, 0.0000000000000000, 0.0001799500000000 ] - [ 0.0002465000000000, 0.0001397100000000, -0.0010326500000000 ] - [ 0.0001383400000000, 0.0000065900000000, 0.0001878000000000 ] - [ 0.0035260600000000, 0.0000000000000000, 0.0010906900000000 ] - [ 0.0056586200000000, 0.0000000000000000, 0.0016120400000000 ] - [ 0.0038875600000000, -0.0012066900000000, 0.0013829600000000 ] - [ 0.0055176600000000, -0.0003236000000000, 0.0018217200000000 ] - [ 0.0038875600000000, 0.0012066900000000, 0.0013829600000000 ] - [ 0.0055176600000000, 0.0003236000000000, 0.0018217200000000 ] - [ -0.0050687200000000, -0.0001021100000000, -0.0013151300000000 ] - [ -0.0039621000000000, 0.0006894600000000, -0.0007329600000000 ] - [ -0.0051685700000000, 0.0000000000000000, -0.0014562400000000 ] - [ -0.0050650900000000, 0.0000000000000000, -0.0013091400000000 ] - [ -0.0050687200000000, 0.0001021100000000, -0.0013151300000000 ] - [ -0.0039621000000000, -0.0006894600000000, -0.0007329600000000 ] - [ 0.0051411400000000, 0.0000000000000000, -0.0024749900000000 ] - [ 0.0051630000000000, 0.0000000000000000, -0.0019615800000000 ] - [ 0.0052370800000000, -0.0000515800000000, -0.0021852600000000 ] - [ 0.0051323000000000, 0.0000251300000000, -0.0019388500000000 ] - [ 0.0052370800000000, 0.0000515800000000, -0.0021852600000000 ] - [ 0.0051323000000000, -0.0000251300000000, -0.0019388500000000 ] - [ -0.0054906200000000, 0.0002786700000000, 0.0007832800000000 ] - [ -0.0050247300000000, 0.0001149800000000, 0.0016480200000000 ] - [ -0.0051650900000000, 0.0000000000000000, 0.0015519200000000 ] - [ -0.0050737800000000, 0.0000000000000000, 0.0016367500000000 ] - [ -0.0054906200000000, -0.0002786700000000, 0.0007832800000000 ] - [ -0.0050247300000000, -0.0001149800000000, 0.0016480200000000 ] - [ -0.0106604900000000, 0.0000000000000000, 0.0439941500000000 ] - [ 0.0006746800000000, 0.0000000000000000, 0.0014171400000000 ] - [ 0.0008155600000000, -0.0002660900000000, 0.0027923700000000 ] - [ 0.0006649000000000, 0.0000064200000000, 0.0014314600000000 ] - [ 0.0008155600000000, 0.0002660900000000, 0.0027923700000000 ] - [ 0.0006649000000000, -0.0000064200000000, 0.0014314600000000 ] - [ -0.0006894100000000, 0.0001652700000000, 0.0003961100000000 ] - [ -0.0006927600000000, 0.0000267100000000, 0.0008121700000000 ] - [ -0.0006192400000000, 0.0000000000000000, 0.0007028400000000 ] - [ -0.0006915500000000, 0.0000000000000000, 0.0008582200000000 ] - [ -0.0006894100000000, -0.0001652700000000, 0.0003961100000000 ] - [ -0.0006927600000000, -0.0000267100000000, 0.0008121700000000 ] - [ 0.0001416400000000, 0.0000000000000000, -0.0018200200000000 ] - [ 0.0015822400000000, 0.0000000000000000, -0.0018223100000000 ] - [ 0.0004240900000000, 0.0000898700000000, -0.0014094700000000 ] - [ 0.0007865800000000, 0.0001030900000000, -0.0014092200000000 ] - [ 0.0004240900000000, -0.0000898700000000, -0.0014094700000000 ] - [ 0.0007865800000000, -0.0001030900000000, -0.0014092200000000 ] - [ 0.0016994200000000, -0.0013532400000000, -0.0020792400000000 ] - [ -0.0009735800000000, -0.0000480000000000, -0.0007985700000000 ] - [ -0.0006469000000000, 0.0000000000000000, -0.0009394000000000 ] - [ -0.0011335900000000, 0.0000000000000000, -0.0007460200000000 ] - [ 0.0016994200000000, 0.0013532400000000, -0.0020792400000000 ] - [ -0.0009735800000000, 0.0000480000000000, -0.0007985700000000 ] - [ 0.0024086500000000, 0.0000000000000000, 0.0003560500000000 ] - [ 0.0016356700000000, 0.0000000000000000, 0.0014049700000000 ] - [ 0.0018992700000000, 0.0003029400000000, 0.0014744000000000 ] - [ 0.0018164600000000, -0.0001989300000000, 0.0016667800000000 ] - [ 0.0018992700000000, -0.0003029400000000, 0.0014744000000000 ] - [ 0.0018164600000000, 0.0001989300000000, 0.0016667800000000 ] - [ -0.0003484500000000, 0.0000000000000000, 0.0019240900000000 ] - [ 0.0003960300000000, 0.0000000000000000, 0.0008387500000000 ] - [ 0.0000828200000000, 0.0004008600000000, 0.0010992100000000 ] - [ 0.0003756100000000, -0.0000343300000000, 0.0008169200000000 ] - [ 0.0000828200000000, -0.0004008600000000, 0.0010992100000000 ] - [ 0.0003756100000000, 0.0000343300000000, 0.0008169200000000 ] - [ 0.0006079800000000, -0.0004835600000000, 0.0007589500000000 ] - [ -0.0013448900000000, -0.0009965200000000, 0.0007917300000000 ] - [ 0.0002022000000000, 0.0000000000000000, 0.0006842500000000 ] - [ -0.0004255600000000, 0.0000000000000000, 0.0006707400000000 ] - [ 0.0006079800000000, 0.0004835600000000, 0.0007589500000000 ] - [ -0.0013448900000000, 0.0009965200000000, 0.0007917300000000 ] - [ 0.0002090200000000, 0.0000000000000000, -0.0000656100000000 ] - [ -0.0000892900000000, 0.0000000000000000, -0.0003838600000000 ] - [ 0.0001005900000000, 0.0000750900000000, -0.0002531300000000 ] - [ -0.0000161000000000, 0.0000644600000000, -0.0004684000000000 ] - [ 0.0001005900000000, -0.0000750900000000, -0.0002531300000000 ] - [ -0.0000161000000000, -0.0000644600000000, -0.0004684000000000 ] - [ 0.0021386600000000, 0.0000000000000000, -0.0005715500000000 ] - [ 0.0021234100000000, 0.0000000000000000, -0.0021817900000000 ] - [ 0.0018220200000000, -0.0001787500000000, -0.0017903100000000 ] - [ 0.0020329700000000, -0.0000085700000000, -0.0022134200000000 ] - [ 0.0018220200000000, 0.0001787500000000, -0.0017903100000000 ] - [ 0.0020329700000000, 0.0000085700000000, -0.0022134200000000 ] - [ -0.0019223600000000, -0.0000959000000000, 0.0031361700000000 ] - [ -0.0020528900000000, -0.0001573500000000, 0.0029262000000000 ] - [ -0.0020254300000000, 0.0000000000000000, 0.0028808100000000 ] - [ -0.0020232100000000, 0.0000000000000000, 0.0028423500000000 ] - [ -0.0019223600000000, 0.0000959000000000, 0.0031361700000000 ] - [ -0.0020528900000000, 0.0001573500000000, 0.0029262000000000 ] - [ -0.0047863000000000, -0.0057726800000000, -0.0099000100000000 ] - [ -0.0020769300000000, 0.0000079400000000, -0.0026844800000000 ] - [ -0.0021718200000000, 0.0000000000000000, -0.0028937300000000 ] - [ -0.0019707200000000, 0.0000000000000000, -0.0026865400000000 ] - [ -0.0047863000000000, 0.0057726800000000, -0.0099000100000000 ] - [ -0.0020769300000000, -0.0000079400000000, -0.0026844800000000 ] - [ -0.0002370200000000, 0.0009613700000000, -0.0054035000000000 ] - [ -0.0002763400000000, -0.0000744900000000, -0.0008811100000000 ] - [ -0.0001220300000000, 0.0000000000000000, -0.0011726600000000 ] - [ -0.0002484300000000, 0.0000000000000000, -0.0008572800000000 ] - [ -0.0002370200000000, -0.0009613700000000, -0.0054035000000000 ] - [ -0.0002763400000000, 0.0000744900000000, -0.0008811100000000 ] - [ -0.0025995800000000, -0.0000164100000000, 0.0022204000000000 ] - [ -0.0025252700000000, -0.0000159400000000, 0.0015795000000000 ] - [ -0.0025523400000000, 0.0000000000000000, 0.0016577400000000 ] - [ -0.0025325900000000, 0.0000000000000000, 0.0015784000000000 ] - [ -0.0025995800000000, 0.0000164100000000, 0.0022204000000000 ] - [ -0.0025252700000000, 0.0000159400000000, 0.0015795000000000 ] - [ 0.0026767200000000, 0.0000000000000000, -0.0005277200000000 ] - [ 0.0022538700000000, 0.0000000000000000, -0.0014481800000000 ] - [ 0.0028282000000000, -0.0003214000000000, -0.0012755400000000 ] - [ 0.0025107600000000, -0.0000397800000000, -0.0013496600000000 ] - [ 0.0028282000000000, 0.0003214000000000, -0.0012755400000000 ] - [ 0.0025107600000000, 0.0000397800000000, -0.0013496600000000 ] - [ -0.0034725000000000, -0.0000699700000000, -0.0009408600000000 ] - [ -0.0020262900000000, 0.0003916600000000, -0.0012316300000000 ] - [ -0.0024831100000000, 0.0000000000000000, -0.0013165900000000 ] - [ -0.0019346500000000, 0.0000000000000000, -0.0010867600000000 ] - [ -0.0034725000000000, 0.0000699700000000, -0.0009408600000000 ] - [ -0.0020262900000000, -0.0003916600000000, -0.0012316300000000 ] - [ 0.0179944300000000, 0.0000000000000000, -0.0045391500000000 ] - [ 0.0026211600000000, 0.0000000000000000, 0.0011413200000000 ] - [ 0.0027866700000000, -0.0003482700000000, 0.0008378700000000 ] - [ 0.0025706800000000, 0.0000476300000000, 0.0012038500000000 ] - [ 0.0027866700000000, 0.0003482700000000, 0.0008378700000000 ] - [ 0.0025706800000000, -0.0000476300000000, 0.0012038500000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007541800000000, 0.0000000000000000, 0.0024450200000000 ] - [ -0.0004865200000000, 0.0000000000000000, -0.0012394700000000 ] - [ -0.0002689300000000, -0.0003078400000000, 0.0007331300000000 ] - [ -0.0003824900000000, 0.0003701700000000, -0.0005692900000000 ] - [ -0.0002689300000000, 0.0003078400000000, 0.0007331300000000 ] - [ -0.0003824900000000, -0.0003701700000000, -0.0005692900000000 ] - [ 0.0010439500000000, 0.0002326200000000, -0.0003622900000000 ] - [ -0.0002043600000000, -0.0000246500000000, -0.0004696400000000 ] - [ 0.0004916500000000, 0.0000000000000000, -0.0002533200000000 ] - [ -0.0001784200000000, 0.0000000000000000, -0.0005307800000000 ] - [ 0.0010439500000000, -0.0002326200000000, -0.0003622900000000 ] - [ -0.0002043600000000, 0.0000246500000000, -0.0004696400000000 ] - [ 0.0017962300000000, 0.0000000000000000, -0.0018609700000000 ] - [ -0.0008426500000000, 0.0000000000000000, -0.0004448900000000 ] - [ 0.0008339100000000, -0.0001805800000000, -0.0004558700000000 ] - [ -0.0007194100000000, -0.0000599200000000, -0.0003505500000000 ] - [ 0.0008339100000000, 0.0001805800000000, -0.0004558700000000 ] - [ -0.0007194100000000, 0.0000599200000000, -0.0003505500000000 ] - [ -0.0000020300000000, -0.0001053500000000, -0.0002120700000000 ] - [ -0.0002360900000000, 0.0001804900000000, 0.0008722900000000 ] - [ 0.0001122700000000, 0.0000000000000000, 0.0002597000000000 ] - [ -0.0000387600000000, 0.0000000000000000, 0.0004713700000000 ] - [ -0.0000020300000000, 0.0001053500000000, -0.0002120700000000 ] - [ -0.0002360900000000, -0.0001804900000000, 0.0008722900000000 ] - [ 0.0043435800000000, 0.0000000000000000, 0.0013295200000000 ] - [ 0.0090361800000000, 0.0000000000000000, 0.0011738500000000 ] - [ 0.0046226200000000, -0.0002147200000000, 0.0015116700000000 ] - [ 0.0061285900000000, 0.0001182200000000, 0.0021998800000000 ] - [ 0.0046226200000000, 0.0002147200000000, 0.0015116700000000 ] - [ 0.0061285900000000, -0.0001182200000000, 0.0021998800000000 ] - [ -0.0011292500000000, -0.0031179700000000, -0.0002613700000000 ] - [ -0.0065619300000000, -0.0011227800000000, -0.0017716700000000 ] - [ -0.0049065300000000, 0.0000000000000000, -0.0016982100000000 ] - [ -0.0054932700000000, 0.0000000000000000, -0.0017600400000000 ] - [ -0.0011292500000000, 0.0031179700000000, -0.0002613700000000 ] - [ -0.0065619300000000, 0.0011227800000000, -0.0017716700000000 ] - [ 0.0053702800000000, 0.0000000000000000, -0.0019149100000000 ] - [ 0.0049236000000000, 0.0000000000000000, -0.0016822500000000 ] - [ 0.0053389400000000, -0.0000431000000000, -0.0018802700000000 ] - [ 0.0049447300000000, 0.0000670400000000, -0.0017045900000000 ] - [ 0.0053389400000000, 0.0000431000000000, -0.0018802700000000 ] - [ 0.0049447300000000, -0.0000670400000000, -0.0017045900000000 ] - [ -0.0047749200000000, -0.0000666700000000, 0.0019628600000000 ] - [ -0.0055309600000000, 0.0000211600000000, 0.0016416700000000 ] - [ -0.0048602800000000, 0.0000000000000000, 0.0017380500000000 ] - [ -0.0055142000000000, 0.0000000000000000, 0.0016811100000000 ] - [ -0.0047749200000000, 0.0000666700000000, 0.0019628600000000 ] - [ -0.0055309600000000, -0.0000211600000000, 0.0016416700000000 ] - [ 0.0058022300000000, 0.0000000000000000, 0.0006237700000000 ] - [ -0.0010752500000000, 0.0000000000000000, 0.0014562400000000 ] - [ 0.0006432300000000, -0.0008342400000000, 0.0011820800000000 ] - [ -0.0003058000000000, 0.0004308500000000, 0.0012676700000000 ] - [ 0.0006432300000000, 0.0008342400000000, 0.0011820800000000 ] - [ -0.0003058000000000, -0.0004308500000000, 0.0012676700000000 ] - [ -0.0008002700000000, -0.0000781500000000, 0.0010297600000000 ] - [ -0.0004996500000000, 0.0001096000000000, 0.0011594300000000 ] - [ -0.0007149600000000, 0.0000000000000000, 0.0010671800000000 ] - [ -0.0005880900000000, 0.0000000000000000, 0.0010648300000000 ] - [ -0.0008002700000000, 0.0000781500000000, 0.0010297600000000 ] - [ -0.0004996500000000, -0.0001096000000000, 0.0011594300000000 ] - [ 0.0014310300000000, 0.0000000000000000, -0.0009566800000000 ] - [ 0.0000690800000000, 0.0000000000000000, -0.0009658300000000 ] - [ 0.0010477300000000, 0.0000443400000000, -0.0012606100000000 ] - [ 0.0003134300000000, -0.0000482100000000, -0.0010493600000000 ] - [ 0.0010477300000000, -0.0000443400000000, -0.0012606100000000 ] - [ 0.0003134300000000, 0.0000482100000000, -0.0010493600000000 ] - [ 0.0048187600000000, 0.0034703200000000, 0.0017890800000000 ] - [ -0.0015004300000000, 0.0000351000000000, -0.0010060800000000 ] - [ 0.0000642400000000, 0.0000000000000000, -0.0009182400000000 ] - [ -0.0012650100000000, 0.0000000000000000, -0.0011198400000000 ] - [ 0.0048187600000000, -0.0034703200000000, 0.0017890800000000 ] - [ -0.0015004300000000, -0.0000351000000000, -0.0010060800000000 ] - [ -0.0319649100000000, 0.0000000000000000, -0.0034020800000000 ] - [ 0.0034405800000000, 0.0000000000000000, 0.0025606200000000 ] - [ -0.0007905200000000, 0.0000588300000000, 0.0013584800000000 ] - [ 0.0028970900000000, 0.0001766300000000, 0.0025559700000000 ] - [ -0.0007905200000000, -0.0000588300000000, 0.0013584800000000 ] - [ 0.0028970900000000, -0.0001766300000000, 0.0025559700000000 ] - [ -0.0003998700000000, 0.0000000000000000, 0.0027625600000000 ] - [ 0.0005864400000000, 0.0000000000000000, 0.0006782600000000 ] - [ -0.0001524400000000, 0.0004652900000000, 0.0012098900000000 ] - [ 0.0004618300000000, -0.0000878600000000, 0.0007331900000000 ] - [ -0.0001524400000000, -0.0004652900000000, 0.0012098900000000 ] - [ 0.0004618300000000, 0.0000878600000000, 0.0007331900000000 ] - [ -0.0013202300000000, 0.0000421800000000, 0.0022666100000000 ] - [ 0.0006263400000000, 0.0003057900000000, 0.0002869900000000 ] - [ -0.0008279100000000, 0.0000000000000000, 0.0010744300000000 ] - [ 0.0003078800000000, 0.0000000000000000, 0.0005272200000000 ] - [ -0.0013202300000000, -0.0000421800000000, 0.0022666100000000 ] - [ 0.0006263400000000, -0.0003057900000000, 0.0002869900000000 ] - [ 0.0003347700000000, 0.0000000000000000, -0.0005475400000000 ] - [ 0.0001061500000000, 0.0000000000000000, -0.0017823600000000 ] - [ 0.0002595800000000, 0.0000833100000000, -0.0005991100000000 ] - [ 0.0000483300000000, -0.0000736000000000, -0.0008102600000000 ] - [ 0.0002595800000000, -0.0000833100000000, -0.0005991100000000 ] - [ 0.0000483300000000, 0.0000736000000000, -0.0008102600000000 ] - [ 0.0019369100000000, 0.0000000000000000, -0.0028651000000000 ] - [ 0.0019399900000000, 0.0000000000000000, -0.0019673900000000 ] - [ 0.0019745800000000, 0.0000948500000000, -0.0025302500000000 ] - [ 0.0019759700000000, -0.0000002500000000, -0.0021047600000000 ] - [ 0.0019745800000000, -0.0000948500000000, -0.0025302500000000 ] - [ 0.0019759700000000, 0.0000002500000000, -0.0021047600000000 ] - [ -0.0022777500000000, 0.0000686700000000, 0.0023944700000000 ] - [ -0.0016587800000000, 0.0000232700000000, 0.0024357400000000 ] - [ -0.0022364800000000, 0.0000000000000000, 0.0024648900000000 ] - [ -0.0017202100000000, 0.0000000000000000, 0.0024666500000000 ] - [ -0.0022777500000000, -0.0000686700000000, 0.0023944700000000 ] - [ -0.0016587800000000, -0.0000232700000000, 0.0024357400000000 ] - [ -0.0003817100000000, 0.0018760200000000, -0.0004626300000000 ] - [ -0.0004614400000000, -0.0009356400000000, -0.0034972400000000 ] - [ -0.0019584600000000, 0.0000000000000000, -0.0019939000000000 ] - [ -0.0017213400000000, 0.0000000000000000, -0.0030630100000000 ] - [ -0.0003817100000000, -0.0018760200000000, -0.0004626300000000 ] - [ -0.0004614400000000, 0.0009356400000000, -0.0034972400000000 ] - [ 0.0000905500000000, 0.0021210700000000, -0.0034927000000000 ] - [ 0.0009852900000000, -0.0003125300000000, -0.0002230200000000 ] - [ -0.0005574200000000, 0.0000000000000000, -0.0010535300000000 ] - [ 0.0005659800000000, 0.0000000000000000, -0.0004790700000000 ] - [ 0.0000905500000000, -0.0021210700000000, -0.0034927000000000 ] - [ 0.0009852900000000, 0.0003125300000000, -0.0002230200000000 ] - [ -0.0026523800000000, 0.0000590800000000, 0.0016999500000000 ] - [ -0.0024723500000000, -0.0000125400000000, 0.0011708500000000 ] - [ -0.0025762500000000, 0.0000000000000000, 0.0015231100000000 ] - [ -0.0025358200000000, 0.0000000000000000, 0.0013793200000000 ] - [ -0.0026523800000000, -0.0000590800000000, 0.0016999500000000 ] - [ -0.0024723500000000, 0.0000125400000000, 0.0011708500000000 ] - [ 0.0026251800000000, 0.0000000000000000, -0.0017368000000000 ] - [ 0.0029192300000000, 0.0000000000000000, -0.0013714700000000 ] - [ 0.0022944100000000, 0.0000958900000000, -0.0013464200000000 ] - [ 0.0028381900000000, -0.0000148300000000, -0.0014540200000000 ] - [ 0.0022944100000000, -0.0000958900000000, -0.0013464200000000 ] - [ 0.0028381900000000, 0.0000148300000000, -0.0014540200000000 ] - [ -0.0057732800000000, -0.0023119600000000, -0.0024617500000000 ] - [ -0.0020502700000000, 0.0001406100000000, -0.0013655800000000 ] - [ -0.0032363500000000, 0.0000000000000000, -0.0015346700000000 ] - [ -0.0021497900000000, 0.0000000000000000, -0.0013068500000000 ] - [ -0.0057732800000000, 0.0023119600000000, -0.0024617500000000 ] - [ -0.0020502700000000, -0.0001406100000000, -0.0013655800000000 ] - [ 0.0066640800000000, 0.0000000000000000, -0.0004840900000000 ] - [ 0.0076424200000000, 0.0000000000000000, 0.0043067900000000 ] - [ 0.0025549400000000, 0.0003947600000000, 0.0011556700000000 ] - [ 0.0042111100000000, -0.0019930700000000, 0.0020234500000000 ] - [ 0.0025549400000000, -0.0003947600000000, 0.0011556700000000 ] - [ 0.0042111100000000, 0.0019930700000000, 0.0020234500000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005642600000000, 0.0000000000000000, -0.0016575600000000 ] - [ 0.0002977300000000, 0.0000000000000000, 0.0020276000000000 ] - [ 0.0000776400000000, 0.0003018900000000, 0.0000423300000000 ] - [ 0.0001888100000000, -0.0003739700000000, 0.0013412100000000 ] - [ 0.0000776400000000, -0.0003018900000000, 0.0000423300000000 ] - [ 0.0001888100000000, 0.0003739700000000, 0.0013412100000000 ] - [ -0.0008549300000000, -0.0002281600000000, -0.0004154000000000 ] - [ 0.0003962200000000, 0.0000295900000000, -0.0003056800000000 ] - [ -0.0003044600000000, 0.0000000000000000, -0.0005266200000000 ] - [ 0.0003674100000000, 0.0000000000000000, -0.0002492500000000 ] - [ -0.0008549300000000, 0.0002281600000000, -0.0004154000000000 ] - [ 0.0003962200000000, -0.0000295900000000, -0.0003056800000000 ] - [ -0.0019812800000000, 0.0000000000000000, 0.0010671100000000 ] - [ 0.0006546300000000, 0.0000000000000000, -0.0003329200000000 ] - [ -0.0010243600000000, 0.0001760200000000, -0.0003172800000000 ] - [ 0.0005277900000000, 0.0000540700000000, -0.0004232800000000 ] - [ -0.0010243600000000, -0.0001760200000000, -0.0003172800000000 ] - [ 0.0005277900000000, -0.0000540700000000, -0.0004232800000000 ] - [ 0.0001974200000000, 0.0001104100000000, 0.0009846300000000 ] - [ 0.0004274100000000, -0.0001747000000000, -0.0000989000000000 ] - [ 0.0000783400000000, 0.0000000000000000, 0.0005185900000000 ] - [ 0.0002276300000000, 0.0000000000000000, 0.0003072900000000 ] - [ 0.0001974200000000, -0.0001104100000000, 0.0009846300000000 ] - [ 0.0004274100000000, 0.0001747000000000, -0.0000989000000000 ] - [ 0.0059511300000000, 0.0000000000000000, 0.0021485500000000 ] - [ 0.0011109400000000, 0.0000000000000000, 0.0024344000000000 ] - [ 0.0056757300000000, 0.0002006100000000, 0.0019712600000000 ] - [ 0.0041705500000000, -0.0001326800000000, 0.0012831000000000 ] - [ 0.0056757300000000, -0.0002006100000000, 0.0019712600000000 ] - [ 0.0041705500000000, 0.0001326800000000, 0.0012831000000000 ] - [ -0.0093026300000000, 0.0032814400000000, -0.0032930700000000 ] - [ -0.0037350500000000, 0.0011369300000000, -0.0017126000000000 ] - [ -0.0053940000000000, 0.0000000000000000, -0.0017837300000000 ] - [ -0.0048046000000000, 0.0000000000000000, -0.0017205100000000 ] - [ -0.0093026300000000, -0.0032814400000000, -0.0032930700000000 ] - [ -0.0037350500000000, -0.0011369300000000, -0.0017126000000000 ] - [ 0.0049281400000000, 0.0000000000000000, -0.0015663800000000 ] - [ 0.0053736800000000, 0.0000000000000000, -0.0017988200000000 ] - [ 0.0049615300000000, 0.0000312400000000, -0.0016045700000000 ] - [ 0.0053545700000000, -0.0000790600000000, -0.0017801200000000 ] - [ 0.0049615300000000, -0.0000312400000000, -0.0016045700000000 ] - [ 0.0053545700000000, 0.0000790600000000, -0.0017801200000000 ] - [ -0.0055191100000000, 0.0000853400000000, 0.0015183400000000 ] - [ -0.0047683400000000, -0.0000097500000000, 0.0018435900000000 ] - [ -0.0054365900000000, 0.0000000000000000, 0.0017436400000000 ] - [ -0.0047836300000000, 0.0000000000000000, 0.0017998800000000 ] - [ -0.0055191100000000, -0.0000853400000000, 0.0015183400000000 ] - [ -0.0047683400000000, 0.0000097500000000, 0.0018435900000000 ] - [ -0.0040409800000000, 0.0000000000000000, 0.0015043000000000 ] - [ 0.0023658100000000, 0.0000000000000000, 0.0007652500000000 ] - [ 0.0006510900000000, 0.0008251300000000, 0.0010348500000000 ] - [ 0.0015952300000000, -0.0004331100000000, 0.0009504300000000 ] - [ 0.0006510900000000, -0.0008251300000000, 0.0010348500000000 ] - [ 0.0015952300000000, 0.0004331100000000, 0.0009504300000000 ] - [ -0.0004922300000000, 0.0000813800000000, 0.0011870400000000 ] - [ -0.0007953800000000, -0.0001061000000000, 0.0010568300000000 ] - [ -0.0005739100000000, 0.0000000000000000, 0.0011553300000000 ] - [ -0.0007021000000000, 0.0000000000000000, 0.0011580000000000 ] - [ -0.0004922300000000, -0.0000813800000000, 0.0011870400000000 ] - [ -0.0007953800000000, 0.0001061000000000, 0.0010568300000000 ] - [ -0.0001494600000000, 0.0000000000000000, -0.0012741200000000 ] - [ 0.0012208600000000, 0.0000000000000000, -0.0012560000000000 ] - [ 0.0002457900000000, -0.0000475000000000, -0.0009563300000000 ] - [ 0.0009809600000000, 0.0000446100000000, -0.0011671900000000 ] - [ 0.0002457900000000, 0.0000475000000000, -0.0009563300000000 ] - [ 0.0009809600000000, -0.0000446100000000, -0.0011671900000000 ] - [ -0.0060975600000000, -0.0034107200000000, -0.0039577700000000 ] - [ 0.0002070500000000, -0.0000324600000000, -0.0012113600000000 ] - [ -0.0013546500000000, 0.0000000000000000, -0.0013061900000000 ] - [ -0.0000261000000000, 0.0000000000000000, -0.0011028200000000 ] - [ -0.0060975600000000, 0.0034107200000000, -0.0039577700000000 ] - [ 0.0002070500000000, 0.0000324600000000, -0.0012113600000000 ] - [ 0.0358594900000000, 0.0000000000000000, 0.0083187500000000 ] - [ 0.0005170900000000, 0.0000000000000000, 0.0022725600000000 ] - [ 0.0047448500000000, -0.0000608600000000, 0.0034798700000000 ] - [ 0.0010534800000000, -0.0001573000000000, 0.0022776300000000 ] - [ 0.0047448500000000, 0.0000608600000000, 0.0034798700000000 ] - [ 0.0010534800000000, 0.0001573000000000, 0.0022776300000000 ] - [ 0.0006578300000000, 0.0000000000000000, -0.0013681800000000 ] - [ -0.0003231200000000, 0.0000000000000000, 0.0007198500000000 ] - [ 0.0004161500000000, -0.0004561200000000, 0.0001867800000000 ] - [ -0.0001987400000000, 0.0000990000000000, 0.0006673300000000 ] - [ 0.0004161500000000, 0.0004561200000000, 0.0001867800000000 ] - [ -0.0001987400000000, -0.0000990000000000, 0.0006673300000000 ] - [ 0.0010669800000000, -0.0000557900000000, -0.0008727100000000 ] - [ -0.0008872400000000, -0.0003155800000000, 0.0011125300000000 ] - [ 0.0005658300000000, 0.0000000000000000, 0.0003231300000000 ] - [ -0.0005689900000000, 0.0000000000000000, 0.0008696300000000 ] - [ 0.0010669800000000, 0.0000557900000000, -0.0008727100000000 ] - [ -0.0008872400000000, 0.0003155800000000, 0.0011125300000000 ] - [ -0.0000740400000000, 0.0000000000000000, -0.0008489700000000 ] - [ 0.0001533200000000, 0.0000000000000000, 0.0003848200000000 ] - [ 0.0000017600000000, -0.0000723000000000, -0.0008000700000000 ] - [ 0.0002142200000000, 0.0000844800000000, -0.0005889400000000 ] - [ 0.0000017600000000, 0.0000723000000000, -0.0008000700000000 ] - [ 0.0002142200000000, -0.0000844800000000, -0.0005889400000000 ] - [ 0.0020189500000000, 0.0000000000000000, -0.0019695500000000 ] - [ 0.0020220800000000, 0.0000000000000000, -0.0028684000000000 ] - [ 0.0019727000000000, -0.0000767500000000, -0.0023042300000000 ] - [ 0.0019741400000000, 0.0000194200000000, -0.0027287400000000 ] - [ 0.0019727000000000, 0.0000767500000000, -0.0023042300000000 ] - [ 0.0019741400000000, -0.0000194200000000, -0.0027287400000000 ] - [ -0.0016704700000000, -0.0000899900000000, 0.0024427600000000 ] - [ -0.0022900700000000, -0.0000419200000000, 0.0023981700000000 ] - [ -0.0017217400000000, 0.0000000000000000, 0.0023688400000000 ] - [ -0.0022385200000000, 0.0000000000000000, 0.0023667000000000 ] - [ -0.0016704700000000, 0.0000899900000000, 0.0024427600000000 ] - [ -0.0022900700000000, 0.0000419200000000, 0.0023981700000000 ] - [ -0.0035479300000000, -0.0018729100000000, -0.0043518200000000 ] - [ -0.0034949400000000, 0.0009217300000000, -0.0013299700000000 ] - [ -0.0020007600000000, 0.0000000000000000, -0.0028368500000000 ] - [ -0.0022376600000000, 0.0000000000000000, -0.0017719500000000 ] - [ -0.0035479300000000, 0.0018729100000000, -0.0043518200000000 ] - [ -0.0034949400000000, -0.0009217300000000, -0.0013299700000000 ] - [ -0.0003618000000000, -0.0021212600000000, 0.0020711100000000 ] - [ -0.0012494100000000, 0.0003062200000000, -0.0011784300000000 ] - [ 0.0002941300000000, 0.0000000000000000, -0.0003461400000000 ] - [ -0.0008259900000000, 0.0000000000000000, -0.0009185000000000 ] - [ -0.0003618000000000, 0.0021212600000000, 0.0020711100000000 ] - [ -0.0012494100000000, -0.0003062200000000, -0.0011784300000000 ] - [ -0.0024806500000000, -0.0000512500000000, 0.0011204800000000 ] - [ -0.0026593000000000, 0.0000204800000000, 0.0016493300000000 ] - [ -0.0025576800000000, 0.0000000000000000, 0.0012916700000000 ] - [ -0.0025971400000000, 0.0000000000000000, 0.0014356700000000 ] - [ -0.0024806500000000, 0.0000512500000000, 0.0011204800000000 ] - [ -0.0026593000000000, -0.0000204800000000, 0.0016493300000000 ] - [ 0.0025031700000000, 0.0000000000000000, -0.0010494700000000 ] - [ 0.0022148400000000, 0.0000000000000000, -0.0014440300000000 ] - [ 0.0028396700000000, -0.0001056100000000, -0.0014746000000000 ] - [ 0.0022947600000000, 0.0000075000000000, -0.0013661100000000 ] - [ 0.0028396700000000, 0.0001056100000000, -0.0014746000000000 ] - [ 0.0022947600000000, -0.0000075000000000, -0.0013661100000000 ] - [ 0.0006563000000000, 0.0023204000000000, -0.0003617200000000 ] - [ -0.0030817500000000, -0.0001320500000000, -0.0014534000000000 ] - [ -0.0018946800000000, 0.0000000000000000, -0.0012793500000000 ] - [ -0.0029822400000000, 0.0000000000000000, -0.0015070300000000 ] - [ 0.0006563000000000, -0.0023204000000000, -0.0003617200000000 ] - [ -0.0030817500000000, 0.0001320500000000, -0.0014534000000000 ] - [ -0.0015286600000000, 0.0000000000000000, 0.0033070000000000 ] - [ -0.0026150800000000, 0.0000000000000000, -0.0015599600000000 ] - [ 0.0025791800000000, -0.0004018800000000, 0.0016628900000000 ] - [ 0.0009253200000000, 0.0019768000000000, 0.0007991600000000 ] - [ 0.0025791800000000, 0.0004018800000000, 0.0016628900000000 ] - [ 0.0009253200000000, -0.0019768000000000, 0.0007991600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000926300000000, 0.0001714900000000, 0.0003859800000000 ] - [ -0.0000931000000000, 0.0009342300000000, 0.0003930400000000 ] - [ -0.0001928300000000, -0.0000975000000000, 0.0005650700000000 ] - [ 0.0002095200000000, -0.0004684100000000, 0.0010495000000000 ] - [ 0.0000010500000000, -0.0000944000000000, 0.0002096300000000 ] - [ -0.0004030000000000, -0.0004669200000000, -0.0002794100000000 ] - [ 0.0003164600000000, 0.0003105300000000, -0.0019093000000000 ] - [ 0.0000869400000000, 0.0000366800000000, -0.0003878300000000 ] - [ 0.0000935700000000, -0.0004939900000000, -0.0003905200000000 ] - [ 0.0000946700000000, -0.0000670700000000, -0.0003889100000000 ] - [ -0.0001250000000000, 0.0003053700000000, 0.0011274000000000 ] - [ 0.0001054700000000, 0.0000313300000000, -0.0003855800000000 ] - [ -0.0000940200000000, 0.0013801800000000, -0.0003893900000000 ] - [ -0.0000936500000000, 0.0000940000000000, -0.0003890100000000 ] - [ -0.0003515100000000, -0.0006684900000000, 0.0007044600000000 ] - [ -0.0000566500000000, -0.0000426800000000, -0.0003436500000000 ] - [ 0.0001572900000000, -0.0006608400000000, -0.0014652300000000 ] - [ -0.0001343700000000, -0.0000376300000000, -0.0004298800000000 ] - [ -0.0003749500000000, 0.0001631000000000, -0.0003111100000000 ] - [ 0.0001627900000000, 0.0001138300000000, 0.0002838700000000 ] - [ 0.0000941200000000, -0.0003364700000000, 0.0003878800000000 ] - [ 0.0000953800000000, -0.0001846400000000, 0.0003886600000000 ] - [ 0.0005658100000000, 0.0001589400000000, 0.0010848400000000 ] - [ 0.0000308700000000, 0.0001089900000000, 0.0004876000000000 ] - [ 0.0051491700000000, 0.0002779400000000, 0.0017406000000000 ] - [ 0.0051652700000000, 0.0029608100000000, 0.0017272700000000 ] - [ 0.0050738800000000, -0.0001393100000000, 0.0016885700000000 ] - [ 0.0058148000000000, -0.0008920300000000, 0.0015205000000000 ] - [ 0.0052256000000000, -0.0001278300000000, 0.0017952300000000 ] - [ 0.0044878000000000, -0.0008804200000000, 0.0019619800000000 ] - [ -0.0081297100000000, 0.0056269800000000, -0.0030913700000000 ] - [ -0.0051015800000000, 0.0002958500000000, -0.0016399900000000 ] - [ -0.0051447400000000, -0.0017748100000000, -0.0017383300000000 ] - [ -0.0051499100000000, -0.0003289200000000, -0.0017398900000000 ] - [ -0.0023463100000000, 0.0054420400000000, -0.0004689100000000 ] - [ -0.0051928000000000, 0.0002771300000000, -0.0018431400000000 ] - [ 0.0051480700000000, 0.0002819200000000, -0.0017414600000000 ] - [ 0.0051488500000000, 0.0001298500000000, -0.0017405700000000 ] - [ 0.0050953400000000, -0.0001259800000000, -0.0019000900000000 ] - [ 0.0051787900000000, -0.0000662800000000, -0.0017217700000000 ] - [ 0.0052036400000000, -0.0001145400000000, -0.0015846100000000 ] - [ 0.0051209300000000, -0.0000542400000000, -0.0017629600000000 ] - [ -0.0051228900000000, 0.0002784300000000, 0.0017199600000000 ] - [ -0.0051349900000000, 0.0000673200000000, 0.0017535100000000 ] - [ -0.0051493400000000, -0.0003447400000000, 0.0017414500000000 ] - [ -0.0051485200000000, -0.0001255300000000, 0.0017398900000000 ] - [ -0.0051734300000000, 0.0002584100000000, 0.0017584700000000 ] - [ -0.0051633100000000, 0.0000554000000000, 0.0017305100000000 ] - [ 0.0006409600000000, 0.0016092700000000, 0.0011140600000000 ] - [ 0.0006482700000000, 0.0009538700000000, 0.0011123100000000 ] - [ -0.0003891500000000, -0.0006217900000000, 0.0014054200000000 ] - [ 0.0013390200000000, -0.0004344900000000, 0.0009034600000000 ] - [ 0.0016704100000000, -0.0006159500000000, 0.0008149900000000 ] - [ -0.0000490800000000, -0.0004337700000000, 0.0013165800000000 ] - [ -0.0007473200000000, 0.0000433500000000, 0.0009575100000000 ] - [ -0.0004720900000000, 0.0000820300000000, 0.0010178000000000 ] - [ -0.0006446600000000, -0.0000686700000000, 0.0011112100000000 ] - [ -0.0006442800000000, -0.0001737600000000, 0.0011112300000000 ] - [ -0.0005452800000000, 0.0000394800000000, 0.0012592700000000 ] - [ -0.0008212000000000, 0.0000783100000000, 0.0011979400000000 ] - [ 0.0006408200000000, 0.0003415900000000, -0.0011162900000000 ] - [ 0.0006456300000000, 0.0000503000000000, -0.0011123100000000 ] - [ 0.0006693200000000, -0.0001683400000000, -0.0009232500000000 ] - [ 0.0006076500000000, -0.0000267700000000, -0.0010939000000000 ] - [ 0.0006243600000000, -0.0001660400000000, -0.0012935600000000 ] - [ 0.0006858900000000, -0.0000236700000000, -0.0011240300000000 ] - [ 0.0043506000000000, 0.0095406100000000, 0.0049085600000000 ] - [ -0.0005056200000000, 0.0000538500000000, -0.0011228300000000 ] - [ -0.0006478900000000, -0.0016713700000000, -0.0011182100000000 ] - [ -0.0006443600000000, -0.0001139000000000, -0.0011112200000000 ] - [ -0.0054853500000000, 0.0092898500000000, -0.0068515900000000 ] - [ -0.0007855200000000, 0.0000507900000000, -0.0010944200000000 ] - [ 0.0019886600000000, -0.0467114000000000, 0.0022051400000000 ] - [ 0.0019773900000000, -0.0000428200000000, 0.0024158100000000 ] - [ 0.0019204800000000, 0.0079279900000000, 0.0020793500000000 ] - [ 0.0018125200000000, 0.0000589700000000, 0.0024557800000000 ] - [ 0.0020302500000000, 0.0078186600000000, 0.0027527200000000 ] - [ 0.0021365200000000, 0.0000406200000000, 0.0023767600000000 ] - [ 0.0001308000000000, -0.0028842800000000, 0.0006953300000000 ] - [ 0.0001303900000000, -0.0001061200000000, 0.0006987200000000 ] - [ 0.0004584800000000, 0.0013733900000000, 0.0017539100000000 ] - [ 0.0000984600000000, 0.0000601600000000, 0.0007136800000000 ] - [ -0.0001909800000000, 0.0013625100000000, -0.0003501600000000 ] - [ 0.0001626700000000, 0.0000489200000000, 0.0006860900000000 ] - [ -0.0001039000000000, -0.0002696500000000, -0.0008085800000000 ] - [ -0.0001048300000000, -0.0000611400000000, 0.0006824100000000 ] - [ -0.0001326200000000, 0.0006524900000000, 0.0006980000000000 ] - [ -0.0001308200000000, 0.0001133900000000, 0.0006982500000000 ] - [ -0.0001536400000000, -0.0002520600000000, 0.0022012700000000 ] - [ -0.0001590800000000, -0.0000482500000000, 0.0007186600000000 ] - [ 0.0001310000000000, -0.0003141100000000, -0.0006986600000000 ] - [ 0.0001297600000000, -0.0005591100000000, -0.0006972500000000 ] - [ 0.0002459700000000, 0.0001618800000000, -0.0006532100000000 ] - [ -0.0001325500000000, 0.0003163400000000, -0.0004322400000000 ] - [ 0.0000165200000000, 0.0001511100000000, -0.0007464300000000 ] - [ 0.0003932900000000, 0.0003046000000000, -0.0009651500000000 ] - [ 0.0019786200000000, -0.0001248000000000, -0.0024145700000000 ] - [ 0.0019808100000000, -0.0001247800000000, -0.0024165800000000 ] - [ 0.0019889600000000, 0.0000628700000000, -0.0024067400000000 ] - [ 0.0018935500000000, 0.0000640000000000, -0.0025497600000000 ] - [ 0.0019593400000000, 0.0000458300000000, -0.0024260400000000 ] - [ 0.0020552000000000, 0.0000447200000000, -0.0022820400000000 ] - [ -0.0018895500000000, -0.0000865600000000, 0.0026593900000000 ] - [ -0.0019372800000000, -0.0000201800000000, 0.0024211900000000 ] - [ -0.0019791600000000, 0.0002146400000000, 0.0024166800000000 ] - [ -0.0019795900000000, 0.0000196300000000, 0.0024165100000000 ] - [ -0.0020581500000000, -0.0000655100000000, 0.0021787600000000 ] - [ -0.0020124000000000, -0.0000010900000000, 0.0024127100000000 ] - [ -0.0000918500000000, -0.0001805300000000, -0.0026044400000000 ] - [ -0.0029009200000000, -0.0003560700000000, -0.0015991000000000 ] - [ -0.0019774700000000, 0.0004788800000000, -0.0024151800000000 ] - [ -0.0019816700000000, 0.0006572000000000, -0.0024176800000000 ] - [ -0.0038505200000000, -0.0001557200000000, -0.0022313900000000 ] - [ -0.0010535600000000, -0.0003390700000000, -0.0032339600000000 ] - [ 0.0014008700000000, 0.0001505900000000, -0.0023517600000000 ] - [ -0.0005756600000000, -0.0002588800000000, -0.0009228800000000 ] - [ -0.0001294200000000, 0.0006458800000000, -0.0006999800000000 ] - [ -0.0001306700000000, 0.0004908600000000, -0.0006989900000000 ] - [ -0.0016604500000000, 0.0001779600000000, 0.0009456600000000 ] - [ 0.0003128700000000, -0.0002506100000000, -0.0004776500000000 ] - [ -0.0026402100000000, -0.0000963100000000, 0.0017214800000000 ] - [ -0.0026757300000000, -0.0000157400000000, 0.0014366500000000 ] - [ -0.0025671700000000, 0.0001758800000000, 0.0014078100000000 ] - [ -0.0025672200000000, 0.0000395400000000, 0.0014079000000000 ] - [ -0.0024922700000000, -0.0001038700000000, 0.0010991700000000 ] - [ -0.0024573300000000, -0.0000236600000000, 0.0013846100000000 ] - [ 0.0025649900000000, 0.0001882200000000, -0.0013926700000000 ] - [ 0.0025667500000000, -0.0000417300000000, -0.0014075100000000 ] - [ 0.0027723600000000, -0.0000164200000000, -0.0018921600000000 ] - [ 0.0025813100000000, 0.0000161500000000, -0.0014459300000000 ] - [ 0.0023635900000000, -0.0000048200000000, -0.0009334800000000 ] - [ 0.0025518800000000, 0.0000236100000000, -0.0013738300000000 ] - [ -0.0060287900000000, 0.0001066100000000, 0.0017017800000000 ] - [ -0.0026189100000000, -0.0000567500000000, -0.0014070700000000 ] - [ -0.0025674100000000, 0.0009612400000000, -0.0014056900000000 ] - [ -0.0025670900000000, 0.0001185100000000, -0.0014075500000000 ] - [ 0.0008814100000000, 0.0000970600000000, -0.0044928600000000 ] - [ -0.0025149300000000, -0.0000638900000000, -0.0014130100000000 ] - [ 0.0025577000000000, 0.0002318300000000, 0.0014121600000000 ] - [ 0.0025694100000000, -0.0048301900000000, 0.0014077800000000 ] - [ 0.0030737100000000, -0.0000236600000000, 0.0012293100000000 ] - [ 0.0018711100000000, 0.0021475200000000, 0.0011059300000000 ] - [ 0.0020650400000000, -0.0000130500000000, 0.0015886200000000 ] - [ 0.0032631500000000, 0.0021707600000000, 0.0017145000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006021800000000, 0.0000000000000000, 0.0006283200000000 ] - [ -0.0007882200000000, 0.0000000000000000, 0.0001814900000000 ] - [ 0.0002778600000000, 0.0003065200000000, 0.0005303700000000 ] - [ -0.0005926800000000, 0.0004330500000000, 0.0002950000000000 ] - [ 0.0002778600000000, -0.0003065200000000, 0.0005303700000000 ] - [ -0.0005926800000000, -0.0004330500000000, 0.0002950000000000 ] - [ 0.0001858100000000, -0.0004516100000000, -0.0024202900000000 ] - [ 0.0000728200000000, -0.0000157700000000, -0.0003765300000000 ] - [ 0.0001976100000000, 0.0000000000000000, -0.0007781400000000 ] - [ 0.0000760300000000, 0.0000000000000000, -0.0003698400000000 ] - [ 0.0001858100000000, 0.0004516100000000, -0.0024202900000000 ] - [ 0.0000728200000000, 0.0000157700000000, -0.0003765300000000 ] - [ -0.0009007700000000, 0.0000000000000000, 0.0077712400000000 ] - [ -0.0001564400000000, 0.0000000000000000, -0.0004295500000000 ] - [ 0.0000049200000000, 0.0009401300000000, -0.0004269500000000 ] - [ -0.0001576700000000, 0.0000235000000000, -0.0004074200000000 ] - [ 0.0000049200000000, -0.0009401300000000, -0.0004269500000000 ] - [ -0.0001576700000000, -0.0000235000000000, -0.0004074200000000 ] - [ -0.0007166100000000, -0.0002212000000000, -0.0003391000000000 ] - [ 0.0006764500000000, -0.0002540800000000, -0.0000434900000000 ] - [ -0.0002886800000000, 0.0000000000000000, 0.0001198400000000 ] - [ 0.0004394400000000, 0.0000000000000000, 0.0001735400000000 ] - [ -0.0007166100000000, 0.0002212000000000, -0.0003391000000000 ] - [ 0.0006764500000000, 0.0002540800000000, -0.0000434900000000 ] - [ 0.0049932400000000, 0.0000000000000000, 0.0019222000000000 ] - [ 0.0050311700000000, 0.0000000000000000, 0.0042964600000000 ] - [ 0.0050202100000000, -0.0000421100000000, 0.0018571500000000 ] - [ 0.0060022900000000, -0.0009249600000000, 0.0022453500000000 ] - [ 0.0050202100000000, 0.0000421100000000, 0.0018571500000000 ] - [ 0.0060022900000000, 0.0009249600000000, 0.0022453500000000 ] - [ -0.0044180500000000, -0.0004129300000000, -0.0001271600000000 ] - [ -0.0050699600000000, 0.0003305500000000, -0.0014447100000000 ] - [ -0.0048970600000000, 0.0000000000000000, -0.0011702300000000 ] - [ -0.0052430700000000, 0.0000000000000000, -0.0015576300000000 ] - [ -0.0044180500000000, 0.0004129300000000, -0.0001271600000000 ] - [ -0.0050699600000000, -0.0003305500000000, -0.0014447100000000 ] - [ 0.0050189300000000, 0.0000000000000000, -0.0025718300000000 ] - [ 0.0052317000000000, 0.0000000000000000, -0.0020134300000000 ] - [ 0.0050530600000000, -0.0000510800000000, -0.0023464000000000 ] - [ 0.0052508400000000, -0.0000586700000000, -0.0019798700000000 ] - [ 0.0050530600000000, 0.0000510800000000, -0.0023464000000000 ] - [ 0.0052508400000000, 0.0000586700000000, -0.0019798700000000 ] - [ -0.0045200200000000, 0.0010126200000000, 0.0005835100000000 ] - [ -0.0052419000000000, 0.0000527800000000, 0.0015582700000000 ] - [ -0.0049835900000000, 0.0000000000000000, 0.0014390100000000 ] - [ -0.0052226300000000, 0.0000000000000000, 0.0015601800000000 ] - [ -0.0045200200000000, -0.0010126200000000, 0.0005835100000000 ] - [ -0.0052419000000000, -0.0000527800000000, 0.0015582700000000 ] - [ -0.0000784800000000, 0.0000000000000000, 0.0031728400000000 ] - [ -0.0001417500000000, 0.0000000000000000, 0.0021263100000000 ] - [ 0.0003058900000000, 0.0001065400000000, 0.0020501100000000 ] - [ 0.0001315100000000, 0.0002014600000000, 0.0018613000000000 ] - [ 0.0003058900000000, -0.0001065400000000, 0.0020501100000000 ] - [ 0.0001315100000000, -0.0002014600000000, 0.0018613000000000 ] - [ -0.0007710400000000, -0.0000086900000000, 0.0005994300000000 ] - [ -0.0005750700000000, 0.0000028100000000, 0.0003887300000000 ] - [ -0.0007042400000000, 0.0000000000000000, 0.0006858200000000 ] - [ -0.0006307100000000, 0.0000000000000000, 0.0006474900000000 ] - [ -0.0007710400000000, 0.0000086900000000, 0.0005994300000000 ] - [ -0.0005750700000000, -0.0000028100000000, 0.0003887300000000 ] - [ -0.0002105200000000, 0.0000000000000000, -0.0029573000000000 ] - [ 0.0006677600000000, 0.0000000000000000, -0.0013468100000000 ] - [ 0.0005511500000000, 0.0001896000000000, -0.0017342900000000 ] - [ 0.0006560000000000, -0.0000026900000000, -0.0013123800000000 ] - [ 0.0005511500000000, -0.0001896000000000, -0.0017342900000000 ] - [ 0.0006560000000000, 0.0000026900000000, -0.0013123800000000 ] - [ 0.0032069700000000, 0.0058174400000000, 0.0065217100000000 ] - [ -0.0006149100000000, 0.0000152000000000, -0.0008402100000000 ] - [ -0.0007276300000000, 0.0000000000000000, -0.0006318500000000 ] - [ -0.0006465200000000, 0.0000000000000000, -0.0008406900000000 ] - [ 0.0032069700000000, -0.0058174400000000, 0.0065217100000000 ] - [ -0.0006149100000000, -0.0000152000000000, -0.0008402100000000 ] - [ -0.0039820100000000, 0.0000000000000000, -0.0401533900000000 ] - [ 0.0021224600000000, 0.0000000000000000, 0.0021217100000000 ] - [ 0.0009131900000000, 0.0003340600000000, -0.0008999800000000 ] - [ 0.0021130800000000, -0.0000308300000000, 0.0021175800000000 ] - [ 0.0009131900000000, -0.0003340600000000, -0.0008999800000000 ] - [ 0.0021130800000000, 0.0000308300000000, 0.0021175800000000 ] - [ 0.0021908100000000, 0.0000000000000000, 0.0056208600000000 ] - [ -0.0001919000000000, 0.0000000000000000, 0.0006577200000000 ] - [ 0.0008005500000000, 0.0011938300000000, 0.0019501900000000 ] - [ -0.0000920400000000, 0.0000658800000000, 0.0006239500000000 ] - [ 0.0008005500000000, -0.0011938300000000, 0.0019501900000000 ] - [ -0.0000920400000000, -0.0000658800000000, 0.0006239500000000 ] - [ 0.0014974900000000, -0.0018712900000000, 0.0022349000000000 ] - [ -0.0002898000000000, -0.0000846600000000, 0.0007642400000000 ] - [ 0.0000258800000000, 0.0000000000000000, 0.0008452700000000 ] - [ -0.0002197000000000, 0.0000000000000000, 0.0007065500000000 ] - [ 0.0014974900000000, 0.0018712900000000, 0.0022349000000000 ] - [ -0.0002898000000000, 0.0000846600000000, 0.0007642400000000 ] - [ 0.0004839800000000, 0.0000000000000000, -0.0005163200000000 ] - [ -0.0008076000000000, 0.0000000000000000, 0.0010295900000000 ] - [ 0.0003764100000000, 0.0001300200000000, -0.0005456900000000 ] - [ -0.0004302900000000, 0.0003889000000000, -0.0001308900000000 ] - [ 0.0003764100000000, -0.0001300200000000, -0.0005456900000000 ] - [ -0.0004302900000000, -0.0003889000000000, -0.0001308900000000 ] - [ 0.0015295800000000, 0.0000000000000000, -0.0017055400000000 ] - [ 0.0024262000000000, 0.0000000000000000, -0.0017056800000000 ] - [ 0.0016626400000000, -0.0001248900000000, -0.0018700400000000 ] - [ 0.0020864200000000, 0.0000187500000000, -0.0018691100000000 ] - [ 0.0016626400000000, 0.0001248900000000, -0.0018700400000000 ] - [ 0.0020864200000000, -0.0000187500000000, -0.0018691100000000 ] - [ -0.0019499500000000, -0.0002493300000000, 0.0039899700000000 ] - [ -0.0019927300000000, -0.0000133400000000, 0.0026871200000000 ] - [ -0.0020269500000000, 0.0000000000000000, 0.0032292000000000 ] - [ -0.0020288500000000, 0.0000000000000000, 0.0026715300000000 ] - [ -0.0019499500000000, 0.0002493300000000, 0.0039899700000000 ] - [ -0.0019927300000000, 0.0000133400000000, 0.0026871200000000 ] - [ -0.0000290200000000, -0.0001962900000000, -0.0034992800000000 ] - [ -0.0030580500000000, 0.0008084000000000, -0.0043280100000000 ] - [ -0.0015578100000000, 0.0000000000000000, -0.0027741200000000 ] - [ -0.0026255300000000, 0.0000000000000000, -0.0033503700000000 ] - [ -0.0000290200000000, 0.0001962900000000, -0.0034992800000000 ] - [ -0.0030580500000000, -0.0008084000000000, -0.0043280100000000 ] - [ -0.0031313100000000, -0.0023124600000000, 0.0000109000000000 ] - [ 0.0003958800000000, -0.0001623900000000, -0.0006723700000000 ] - [ -0.0005430300000000, 0.0000000000000000, -0.0010411200000000 ] - [ 0.0001638900000000, 0.0000000000000000, -0.0007501400000000 ] - [ -0.0031313100000000, 0.0023124600000000, 0.0000109000000000 ] - [ 0.0003958800000000, 0.0001623900000000, -0.0006723700000000 ] - [ -0.0024998200000000, 0.0000640700000000, 0.0019386700000000 ] - [ -0.0025987900000000, 0.0000062800000000, 0.0017915900000000 ] - [ -0.0024747100000000, 0.0000000000000000, 0.0016539800000000 ] - [ -0.0025683300000000, 0.0000000000000000, 0.0016466400000000 ] - [ -0.0024998200000000, -0.0000640700000000, 0.0019386700000000 ] - [ -0.0025987900000000, -0.0000062800000000, 0.0017915900000000 ] - [ 0.0019044200000000, 0.0000000000000000, 0.0027207500000000 ] - [ 0.0026235400000000, 0.0000000000000000, -0.0013076800000000 ] - [ 0.0027817300000000, -0.0003596900000000, -0.0011686400000000 ] - [ 0.0026199900000000, -0.0000210000000000, -0.0013329500000000 ] - [ 0.0027817300000000, 0.0003596900000000, -0.0011686400000000 ] - [ 0.0026199900000000, 0.0000210000000000, -0.0013329500000000 ] - [ -0.0045736800000000, 0.0032280600000000, 0.0020606400000000 ] - [ -0.0024885000000000, 0.0000121700000000, -0.0014891100000000 ] - [ -0.0022221300000000, 0.0000000000000000, -0.0011159300000000 ] - [ -0.0024911800000000, 0.0000000000000000, -0.0014674200000000 ] - [ -0.0045736800000000, -0.0032280600000000, 0.0020606400000000 ] - [ -0.0024885000000000, -0.0000121700000000, -0.0014891100000000 ] - [ 0.0021987600000000, 0.0000000000000000, 0.0015675600000000 ] - [ 0.0055869100000000, 0.0000000000000000, 0.0015394600000000 ] - [ 0.0027935400000000, -0.0001106100000000, 0.0011157000000000 ] - [ 0.0032979700000000, -0.0013406600000000, 0.0017382100000000 ] - [ 0.0027935400000000, 0.0001106100000000, 0.0011157000000000 ] - [ 0.0032979700000000, 0.0013406600000000, 0.0017382100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007954500000000, 0.0000000000000000, 0.0001419600000000 ] - [ 0.0006024900000000, 0.0000000000000000, 0.0005888000000000 ] - [ -0.0004731400000000, -0.0003137400000000, 0.0002428100000000 ] - [ 0.0004030800000000, -0.0004387500000000, 0.0004721400000000 ] - [ -0.0004731400000000, 0.0003137400000000, 0.0002428100000000 ] - [ 0.0004030800000000, 0.0004387500000000, 0.0004721400000000 ] - [ 0.0000061500000000, 0.0004553600000000, 0.0016456800000000 ] - [ 0.0001188700000000, 0.0000209800000000, -0.0003961500000000 ] - [ -0.0000105000000000, 0.0000000000000000, 0.0000003900000000 ] - [ 0.0001129000000000, 0.0000000000000000, -0.0004077400000000 ] - [ 0.0000061500000000, -0.0004553600000000, 0.0016456800000000 ] - [ 0.0001188700000000, -0.0000209800000000, -0.0003961500000000 ] - [ 0.0008163800000000, 0.0000000000000000, -0.0091323000000000 ] - [ -0.0000319600000000, 0.0000000000000000, -0.0003496800000000 ] - [ -0.0001960700000000, -0.0009531300000000, -0.0003460200000000 ] - [ -0.0000339500000000, -0.0000282000000000, -0.0003667300000000 ] - [ -0.0001960700000000, 0.0009531300000000, -0.0003460200000000 ] - [ -0.0000339500000000, 0.0000282000000000, -0.0003667300000000 ] - [ 0.0009064700000000, 0.0002236600000000, 0.0011141300000000 ] - [ -0.0004842400000000, 0.0002597600000000, 0.0008176500000000 ] - [ 0.0004784000000000, 0.0000000000000000, 0.0006594200000000 ] - [ -0.0002495100000000, 0.0000000000000000, 0.0006048100000000 ] - [ 0.0009064700000000, -0.0002236600000000, 0.0011141300000000 ] - [ -0.0004842400000000, -0.0002597600000000, 0.0008176500000000 ] - [ 0.0053039200000000, 0.0000000000000000, 0.0015591000000000 ] - [ 0.0051556700000000, 0.0000000000000000, -0.0006981300000000 ] - [ 0.0052790400000000, 0.0000303400000000, 0.0016272100000000 ] - [ 0.0042986800000000, 0.0009084200000000, 0.0012407100000000 ] - [ 0.0052790400000000, -0.0000303400000000, 0.0016272100000000 ] - [ 0.0042986800000000, -0.0009084200000000, 0.0012407100000000 ] - [ -0.0058897800000000, 0.0004345400000000, -0.0033645500000000 ] - [ -0.0052242500000000, -0.0003130700000000, -0.0020398900000000 ] - [ -0.0053997400000000, 0.0000000000000000, -0.0023104000000000 ] - [ -0.0050548500000000, 0.0000000000000000, -0.0019233800000000 ] - [ -0.0058897800000000, -0.0004345400000000, -0.0033645500000000 ] - [ -0.0052242500000000, 0.0003130700000000, -0.0020398900000000 ] - [ 0.0052761600000000, 0.0000000000000000, -0.0009100900000000 ] - [ 0.0050656500000000, 0.0000000000000000, -0.0014670000000000 ] - [ 0.0052455900000000, 0.0000385000000000, -0.0011362100000000 ] - [ 0.0050485300000000, 0.0000468300000000, -0.0015041000000000 ] - [ 0.0052455900000000, -0.0000385000000000, -0.0011362100000000 ] - [ 0.0050485300000000, -0.0000468300000000, -0.0015041000000000 ] - [ -0.0057790900000000, -0.0010003600000000, 0.0029000800000000 ] - [ -0.0050571700000000, -0.0000406200000000, 0.0019255300000000 ] - [ -0.0053143500000000, 0.0000000000000000, 0.0020426600000000 ] - [ -0.0050743200000000, 0.0000000000000000, 0.0019200600000000 ] - [ -0.0057790900000000, 0.0010003600000000, 0.0029000800000000 ] - [ -0.0050571700000000, 0.0000406200000000, 0.0019255300000000 ] - [ 0.0013741000000000, 0.0000000000000000, -0.0009585000000000 ] - [ 0.0014314800000000, 0.0000000000000000, 0.0000977800000000 ] - [ 0.0009856300000000, -0.0001104100000000, 0.0001651200000000 ] - [ 0.0011603400000000, -0.0002037700000000, 0.0003574400000000 ] - [ 0.0009856300000000, 0.0001104100000000, 0.0001651200000000 ] - [ 0.0011603400000000, 0.0002037700000000, 0.0003574400000000 ] - [ -0.0005225500000000, 0.0000122000000000, 0.0016188800000000 ] - [ -0.0007168700000000, 0.0000006900000000, 0.0018290100000000 ] - [ -0.0005855800000000, 0.0000000000000000, 0.0015387000000000 ] - [ -0.0006577900000000, 0.0000000000000000, 0.0015763500000000 ] - [ -0.0005225500000000, -0.0000122000000000, 0.0016188800000000 ] - [ -0.0007168700000000, -0.0000006900000000, 0.0018290100000000 ] - [ 0.0014975400000000, 0.0000000000000000, 0.0007330500000000 ] - [ 0.0006217800000000, 0.0000000000000000, -0.0008772600000000 ] - [ 0.0007431700000000, -0.0001941000000000, -0.0004815600000000 ] - [ 0.0006366600000000, -0.0000004500000000, -0.0009053700000000 ] - [ 0.0007431700000000, 0.0001941000000000, -0.0004815600000000 ] - [ 0.0006366600000000, 0.0000004500000000, -0.0009053700000000 ] - [ -0.0043847100000000, -0.0055829600000000, -0.0085839800000000 ] - [ -0.0006778400000000, -0.0000117500000000, -0.0013765200000000 ] - [ -0.0005634600000000, 0.0000000000000000, -0.0015905400000000 ] - [ -0.0006424500000000, 0.0000000000000000, -0.0013818800000000 ] - [ -0.0043847100000000, 0.0055829600000000, -0.0085839800000000 ] - [ -0.0006778400000000, 0.0000117500000000, -0.0013765200000000 ] - [ 0.0077402900000000, 0.0000000000000000, 0.0450796800000000 ] - [ 0.0018350600000000, 0.0000000000000000, 0.0027101600000000 ] - [ 0.0030352600000000, -0.0003384800000000, 0.0057371100000000 ] - [ 0.0018354400000000, 0.0000490000000000, 0.0027155300000000 ] - [ 0.0030352600000000, 0.0003384800000000, 0.0057371100000000 ] - [ 0.0018354400000000, -0.0000490000000000, 0.0027155300000000 ] - [ -0.0019075400000000, 0.0000000000000000, -0.0041701500000000 ] - [ 0.0004537400000000, 0.0000000000000000, 0.0007392700000000 ] - [ -0.0005342900000000, -0.0011793100000000, -0.0005520900000000 ] - [ 0.0003538000000000, -0.0000550300000000, 0.0007756600000000 ] - [ -0.0005342900000000, 0.0011793100000000, -0.0005520900000000 ] - [ 0.0003538000000000, 0.0000550300000000, 0.0007756600000000 ] - [ -0.0017831800000000, 0.0018819000000000, -0.0008526200000000 ] - [ 0.0000280700000000, 0.0000726600000000, 0.0006374500000000 ] - [ -0.0002919100000000, 0.0000000000000000, 0.0005531800000000 ] - [ -0.0000409400000000, 0.0000000000000000, 0.0006910300000000 ] - [ -0.0017831800000000, -0.0018819000000000, -0.0008526200000000 ] - [ 0.0000280700000000, -0.0000726600000000, 0.0006374500000000 ] - [ -0.0002214300000000, 0.0000000000000000, -0.0008815500000000 ] - [ 0.0010636300000000, 0.0000000000000000, -0.0024252200000000 ] - [ -0.0001139700000000, -0.0001187700000000, -0.0008548900000000 ] - [ 0.0006911700000000, -0.0003770000000000, -0.0012680200000000 ] - [ -0.0001139700000000, 0.0001187700000000, -0.0008548900000000 ] - [ 0.0006911700000000, 0.0003770000000000, -0.0012680200000000 ] - [ 0.0024313100000000, 0.0000000000000000, -0.0031270900000000 ] - [ 0.0015313800000000, 0.0000000000000000, -0.0031272200000000 ] - [ 0.0022874000000000, 0.0001436800000000, -0.0029646300000000 ] - [ 0.0018611500000000, 0.0000003200000000, -0.0029636900000000 ] - [ 0.0022874000000000, -0.0001436800000000, -0.0029646300000000 ] - [ 0.0018611500000000, -0.0000003200000000, -0.0029636900000000 ] - [ -0.0019989200000000, 0.0002304700000000, 0.0008430100000000 ] - [ -0.0019558800000000, -0.0000056700000000, 0.0021463500000000 ] - [ -0.0019316000000000, 0.0000000000000000, 0.0016019600000000 ] - [ -0.0019296200000000, 0.0000000000000000, 0.0021610400000000 ] - [ -0.0019989200000000, -0.0002304700000000, 0.0008430100000000 ] - [ -0.0019558800000000, 0.0000056700000000, 0.0021463500000000 ] - [ -0.0039190900000000, 0.0001760300000000, -0.0013383400000000 ] - [ -0.0008914400000000, -0.0008273000000000, -0.0005088400000000 ] - [ -0.0024014200000000, 0.0000000000000000, -0.0020574900000000 ] - [ -0.0013351400000000, 0.0000000000000000, -0.0014849200000000 ] - [ -0.0039190900000000, -0.0001760300000000, -0.0013383400000000 ] - [ -0.0008914400000000, 0.0008273000000000, -0.0005088400000000 ] - [ 0.0028964700000000, 0.0023186100000000, -0.0014117400000000 ] - [ -0.0006569900000000, 0.0001519800000000, -0.0007263100000000 ] - [ 0.0002839400000000, 0.0000000000000000, -0.0003548600000000 ] - [ -0.0004249900000000, 0.0000000000000000, -0.0006468000000000 ] - [ 0.0028964700000000, -0.0023186100000000, -0.0014117400000000 ] - [ -0.0006569900000000, -0.0001519800000000, -0.0007263100000000 ] - [ -0.0026321800000000, -0.0000556200000000, 0.0008803900000000 ] - [ -0.0025342600000000, 0.0000015200000000, 0.0010279000000000 ] - [ -0.0026587700000000, 0.0000000000000000, 0.0011596800000000 ] - [ -0.0025659500000000, 0.0000000000000000, 0.0011682800000000 ] - [ -0.0026321800000000, 0.0000556200000000, 0.0008803900000000 ] - [ -0.0025342600000000, -0.0000015200000000, 0.0010279000000000 ] - [ 0.0032274100000000, 0.0000000000000000, -0.0055311800000000 ] - [ 0.0025103100000000, 0.0000000000000000, -0.0015066500000000 ] - [ 0.0023510900000000, 0.0003526800000000, -0.0016537100000000 ] - [ 0.0025132000000000, 0.0000132200000000, -0.0014865700000000 ] - [ 0.0023510900000000, -0.0003526800000000, -0.0016537100000000 ] - [ 0.0025132000000000, -0.0000132200000000, -0.0014865700000000 ] - [ -0.0005730300000000, -0.0031863100000000, -0.0048478300000000 ] - [ -0.0026444800000000, -0.0000046000000000, -0.0013313200000000 ] - [ -0.0029081100000000, 0.0000000000000000, -0.0016984000000000 ] - [ -0.0026425900000000, 0.0000000000000000, -0.0013476800000000 ] - [ -0.0005730300000000, 0.0031863100000000, -0.0048478300000000 ] - [ -0.0026444800000000, 0.0000046000000000, -0.0013313200000000 ] - [ 0.0029171700000000, 0.0000000000000000, 0.0012587100000000 ] - [ -0.0004721600000000, 0.0000000000000000, 0.0012853400000000 ] - [ 0.0023415700000000, 0.0001007900000000, 0.0017063800000000 ] - [ 0.0018412600000000, 0.0013217900000000, 0.0010828900000000 ] - [ 0.0023415700000000, -0.0001007900000000, 0.0017063800000000 ] - [ 0.0018412600000000, -0.0013217900000000, 0.0010828900000000 ]- atom: 79 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000940600000000, 0.0000000000000000, 0.0003136600000000 ] - [ -0.0001346200000000, 0.0000000000000000, 0.0002464100000000 ] - [ -0.0000946700000000, -0.0000237500000000, 0.0002646200000000 ] - [ -0.0001333000000000, 0.0000115400000000, 0.0002306700000000 ] - [ -0.0000946700000000, 0.0000237500000000, 0.0002646200000000 ] - [ -0.0001333000000000, -0.0000115400000000, 0.0002306700000000 ] - [ 0.0053487100000000, -0.0029043800000000, -0.0029763600000000 ] - [ -0.0008381600000000, -0.0002269200000000, -0.0003170900000000 ] - [ 0.0007840500000000, 0.0000000000000000, -0.0002506800000000 ] - [ -0.0006069000000000, 0.0000000000000000, -0.0003240800000000 ] - [ 0.0053487100000000, 0.0029043800000000, -0.0029763600000000 ] - [ -0.0008381600000000, 0.0002269200000000, -0.0003170900000000 ] - [ 0.0001950800000000, 0.0000000000000000, -0.0006706600000000 ] - [ -0.0003202700000000, 0.0000000000000000, -0.0004491200000000 ] - [ 0.0001347100000000, -0.0000026100000000, -0.0006005800000000 ] - [ -0.0002986200000000, -0.0000099700000000, -0.0004275900000000 ] - [ 0.0001347100000000, 0.0000026100000000, -0.0006005800000000 ] - [ -0.0002986200000000, 0.0000099700000000, -0.0004275900000000 ] - [ 0.0072811300000000, 0.0035429800000000, -0.0000309500000000 ] - [ -0.0008820400000000, 0.0002444600000000, 0.0005094500000000 ] - [ 0.0007605300000000, 0.0000000000000000, 0.0005389300000000 ] - [ -0.0005844200000000, 0.0000000000000000, 0.0004400700000000 ] - [ 0.0072811300000000, -0.0035429800000000, -0.0000309500000000 ] - [ -0.0008820400000000, -0.0002444600000000, 0.0005094500000000 ] - [ 0.0040302500000000, 0.0000000000000000, 0.0021808500000000 ] - [ 0.0035041700000000, 0.0000000000000000, 0.0001858200000000 ] - [ 0.0046739800000000, -0.0003170800000000, 0.0020004500000000 ] - [ 0.0048416400000000, 0.0010846300000000, 0.0011491000000000 ] - [ 0.0046739800000000, 0.0003170800000000, 0.0020004500000000 ] - [ 0.0048416400000000, -0.0010846300000000, 0.0011491000000000 ] - [ -0.0052407700000000, 0.0001459100000000, -0.0020916100000000 ] - [ -0.0051939000000000, -0.0000434300000000, -0.0015976000000000 ] - [ -0.0051787100000000, 0.0000000000000000, -0.0020016200000000 ] - [ -0.0050948900000000, 0.0000000000000000, -0.0016578700000000 ] - [ -0.0052407700000000, -0.0001459100000000, -0.0020916100000000 ] - [ -0.0051939000000000, 0.0000434300000000, -0.0015976000000000 ] - [ 0.0081196300000000, 0.0000000000000000, -0.0017428700000000 ] - [ 0.0046543400000000, 0.0000000000000000, -0.0016233600000000 ] - [ 0.0063081900000000, -0.0005870700000000, -0.0021817300000000 ] - [ 0.0047274500000000, 0.0000665000000000, -0.0016302000000000 ] - [ 0.0063081900000000, 0.0005870700000000, -0.0021817300000000 ] - [ 0.0047274500000000, -0.0000665000000000, -0.0016302000000000 ] - [ -0.0047562500000000, -0.0000675900000000, 0.0015301500000000 ] - [ -0.0054611800000000, 0.0000029800000000, 0.0017747900000000 ] - [ -0.0048723900000000, 0.0000000000000000, 0.0015188100000000 ] - [ -0.0054176500000000, 0.0000000000000000, 0.0017776100000000 ] - [ -0.0047562500000000, 0.0000675900000000, 0.0015301500000000 ] - [ -0.0054611800000000, -0.0000029800000000, 0.0017747900000000 ] - [ 0.0012476000000000, 0.0000000000000000, 0.0015948500000000 ] - [ 0.0001876800000000, 0.0000000000000000, 0.0008463100000000 ] - [ 0.0011509800000000, -0.0000997000000000, 0.0011572600000000 ] - [ 0.0002752600000000, 0.0000573800000000, 0.0008638600000000 ] - [ 0.0011509800000000, 0.0000997000000000, 0.0011572600000000 ] - [ 0.0002752600000000, -0.0000573800000000, 0.0008638600000000 ] - [ -0.0013086000000000, -0.0001656900000000, -0.0001067200000000 ] - [ -0.0012513800000000, 0.0001731000000000, 0.0018474000000000 ] - [ -0.0006237500000000, 0.0000000000000000, 0.0008179500000000 ] - [ -0.0007243600000000, 0.0000000000000000, 0.0014449200000000 ] - [ -0.0013086000000000, 0.0001656900000000, -0.0001067200000000 ] - [ -0.0012513800000000, -0.0001731000000000, 0.0018474000000000 ] - [ 0.0009596000000000, 0.0000000000000000, -0.0010340700000000 ] - [ 0.0002026300000000, 0.0000000000000000, -0.0013325200000000 ] - [ 0.0009384400000000, 0.0001023000000000, -0.0011399100000000 ] - [ 0.0003086300000000, -0.0000808600000000, -0.0012562800000000 ] - [ 0.0009384400000000, -0.0001023000000000, -0.0011399100000000 ] - [ 0.0003086300000000, 0.0000808600000000, -0.0012562800000000 ] - [ 0.0024397800000000, -0.0002315900000000, -0.0010186500000000 ] - [ -0.0013926600000000, -0.0000578800000000, -0.0009627500000000 ] - [ -0.0000050300000000, 0.0000000000000000, -0.0011202700000000 ] - [ -0.0012347100000000, 0.0000000000000000, -0.0009939900000000 ] - [ 0.0024397800000000, 0.0002315900000000, -0.0010186500000000 ] - [ -0.0013926600000000, 0.0000578800000000, -0.0009627500000000 ] - [ 0.0014580600000000, 0.0000000000000000, 0.0044715800000000 ] - [ 0.0024344700000000, 0.0000000000000000, 0.0020922100000000 ] - [ 0.0016919700000000, -0.0003180000000000, 0.0030866500000000 ] - [ 0.0023044400000000, 0.0000418000000000, 0.0021933900000000 ] - [ 0.0016919700000000, 0.0003180000000000, 0.0030866500000000 ] - [ 0.0023044400000000, -0.0000418000000000, 0.0021933900000000 ] - [ -0.0428415900000000, 0.0000000000000000, -0.0009712500000000 ] - [ 0.0010359100000000, 0.0000000000000000, 0.0007380100000000 ] - [ -0.0033341300000000, 0.0000181200000000, 0.0005724300000000 ] - [ 0.0008687300000000, 0.0000050700000000, 0.0007270300000000 ] - [ -0.0033341300000000, -0.0000181200000000, 0.0005724300000000 ] - [ 0.0008687300000000, -0.0000050700000000, 0.0007270300000000 ] - [ -0.0003179800000000, -0.0000249000000000, 0.0008350000000000 ] - [ -0.0000104600000000, 0.0000281100000000, 0.0007631800000000 ] - [ -0.0003157000000000, 0.0000000000000000, 0.0008233900000000 ] - [ -0.0000261100000000, 0.0000000000000000, 0.0007505500000000 ] - [ -0.0003179800000000, 0.0000249000000000, 0.0008350000000000 ] - [ -0.0000104600000000, -0.0000281100000000, 0.0007631800000000 ] - [ 0.0052767800000000, 0.0000000000000000, 0.0010983700000000 ] - [ 0.0052149200000000, 0.0000000000000000, -0.0023126600000000 ] - [ 0.0013858600000000, 0.0013159200000000, -0.0003528100000000 ] - [ 0.0013843600000000, -0.0011409400000000, -0.0010861200000000 ] - [ 0.0013858600000000, -0.0013159200000000, -0.0003528100000000 ] - [ 0.0013843600000000, 0.0011409400000000, -0.0010861200000000 ] - [ 0.0019553500000000, 0.0000000000000000, -0.0014792200000000 ] - [ 0.0021835600000000, 0.0000000000000000, -0.0027685100000000 ] - [ 0.0018911500000000, 0.0002727800000000, -0.0018551100000000 ] - [ 0.0021032900000000, -0.0001052600000000, -0.0026618600000000 ] - [ 0.0018911500000000, -0.0002727800000000, -0.0018551100000000 ] - [ 0.0021032900000000, 0.0001052600000000, -0.0026618600000000 ] - [ -0.0031685400000000, 0.0000168600000000, 0.0007769200000000 ] - [ -0.0012171300000000, 0.0000180300000000, 0.0025761200000000 ] - [ -0.0026774700000000, 0.0000000000000000, 0.0022572500000000 ] - [ -0.0015411100000000, 0.0000000000000000, 0.0025057100000000 ] - [ -0.0031685400000000, -0.0000168600000000, 0.0007769200000000 ] - [ -0.0012171300000000, -0.0000180300000000, 0.0025761200000000 ] - [ -0.0017509300000000, 0.0015267900000000, -0.0054382700000000 ] - [ -0.0008583300000000, -0.0004510200000000, -0.0018915400000000 ] - [ -0.0024064800000000, 0.0000000000000000, -0.0028303000000000 ] - [ -0.0012827300000000, 0.0000000000000000, -0.0021215600000000 ] - [ -0.0017509300000000, -0.0015267900000000, -0.0054382700000000 ] - [ -0.0008583300000000, 0.0004510200000000, -0.0018915400000000 ] - [ -0.0002755900000000, 0.0000500600000000, -0.0006636400000000 ] - [ 0.0000726200000000, -0.0000117500000000, -0.0005598900000000 ] - [ -0.0002204400000000, 0.0000000000000000, -0.0006435600000000 ] - [ 0.0000524000000000, 0.0000000000000000, -0.0005721500000000 ] - [ -0.0002755900000000, -0.0000500600000000, -0.0006636400000000 ] - [ 0.0000726200000000, 0.0000117500000000, -0.0005598900000000 ] - [ -0.0025226000000000, 0.0013502600000000, 0.0054430500000000 ] - [ -0.0021439600000000, -0.0000059100000000, 0.0012086900000000 ] - [ -0.0024958400000000, 0.0000000000000000, 0.0015202300000000 ] - [ -0.0023826400000000, 0.0000000000000000, 0.0012124600000000 ] - [ -0.0025226000000000, -0.0013502600000000, 0.0054430500000000 ] - [ -0.0021439600000000, 0.0000059100000000, 0.0012086900000000 ] - [ 0.0022638600000000, 0.0000000000000000, -0.0012141300000000 ] - [ 0.0028629100000000, 0.0000000000000000, -0.0013485400000000 ] - [ 0.0022910900000000, 0.0000088000000000, -0.0012893800000000 ] - [ 0.0027924300000000, -0.0000127000000000, -0.0013711900000000 ] - [ 0.0022910900000000, -0.0000088000000000, -0.0012893800000000 ] - [ 0.0027924300000000, 0.0000127000000000, -0.0013711900000000 ] - [ 0.0000292900000000, -0.0041604600000000, 0.0026215000000000 ] - [ -0.0019932300000000, 0.0002652400000000, -0.0015772700000000 ] - [ -0.0033204000000000, 0.0000000000000000, -0.0015764600000000 ] - [ -0.0021375000000000, 0.0000000000000000, -0.0014144300000000 ] - [ 0.0000292900000000, 0.0041604600000000, 0.0026215000000000 ] - [ -0.0019932300000000, -0.0002652400000000, -0.0015772700000000 ] - [ 0.0025219100000000, 0.0000000000000000, 0.0013940400000000 ] - [ 0.0027158700000000, 0.0000000000000000, 0.0016142400000000 ] - [ 0.0024185400000000, 0.0000583200000000, 0.0014420100000000 ] - [ 0.0027408300000000, -0.0000637000000000, 0.0015461700000000 ] - [ 0.0024185400000000, -0.0000583200000000, 0.0014420100000000 ] - [ 0.0027408300000000, 0.0000637000000000, 0.0015461700000000 ]- atom: 79 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000941700000000, 0.0000000000000000, 0.0004636400000000 ] - [ -0.0000548100000000, 0.0000000000000000, 0.0005312900000000 ] - [ -0.0000964500000000, 0.0000184500000000, 0.0005072900000000 ] - [ -0.0000588900000000, -0.0000168500000000, 0.0005414800000000 ] - [ -0.0000964500000000, -0.0000184500000000, 0.0005072900000000 ] - [ -0.0000588900000000, 0.0000168500000000, 0.0005414800000000 ] - [ -0.0053082100000000, 0.0030948500000000, 0.0022964800000000 ] - [ 0.0010269500000000, 0.0002282800000000, -0.0004560900000000 ] - [ -0.0005938900000000, 0.0000000000000000, -0.0005269900000000 ] - [ 0.0007972600000000, 0.0000000000000000, -0.0004544500000000 ] - [ -0.0053082100000000, -0.0030948500000000, 0.0022964800000000 ] - [ 0.0010269500000000, -0.0002282800000000, -0.0004560900000000 ] - [ -0.0003836000000000, 0.0000000000000000, -0.0001098900000000 ] - [ 0.0001313600000000, 0.0000000000000000, -0.0003289900000000 ] - [ -0.0003258300000000, -0.0000024300000000, -0.0001750100000000 ] - [ 0.0001070000000000, 0.0000047500000000, -0.0003459300000000 ] - [ -0.0003258300000000, 0.0000024300000000, -0.0001750100000000 ] - [ 0.0001070000000000, -0.0000047500000000, -0.0003459300000000 ] - [ -0.0068679100000000, -0.0033033400000000, 0.0008144800000000 ] - [ 0.0010747700000000, -0.0002422500000000, 0.0002627700000000 ] - [ -0.0005710300000000, 0.0000000000000000, 0.0002405700000000 ] - [ 0.0007700700000000, 0.0000000000000000, 0.0003377300000000 ] - [ -0.0068679100000000, 0.0033033400000000, 0.0008144800000000 ] - [ 0.0010747700000000, 0.0002422500000000, 0.0002627700000000 ] - [ 0.0062575900000000, 0.0000000000000000, 0.0013031500000000 ] - [ 0.0068065500000000, 0.0000000000000000, 0.0033122700000000 ] - [ 0.0056258000000000, 0.0003039400000000, 0.0014832200000000 ] - [ 0.0054521200000000, -0.0010946700000000, 0.0023344500000000 ] - [ 0.0056258000000000, -0.0003039400000000, 0.0014832200000000 ] - [ 0.0054521200000000, 0.0010946700000000, 0.0023344500000000 ] - [ -0.0050613900000000, -0.0001343800000000, -0.0013927500000000 ] - [ -0.0051041000000000, 0.0000551200000000, -0.0018854700000000 ] - [ -0.0051212300000000, 0.0000000000000000, -0.0014801800000000 ] - [ -0.0052004500000000, 0.0000000000000000, -0.0018221800000000 ] - [ -0.0050613900000000, 0.0001343800000000, -0.0013927500000000 ] - [ -0.0051041000000000, -0.0000551200000000, -0.0018854700000000 ] - [ 0.0021734000000000, 0.0000000000000000, -0.0017747000000000 ] - [ 0.0056416800000000, 0.0000000000000000, -0.0018575300000000 ] - [ 0.0039947100000000, 0.0005705900000000, -0.0013049200000000 ] - [ 0.0055711100000000, -0.0000797400000000, -0.0018540500000000 ] - [ 0.0039947100000000, -0.0005705900000000, -0.0013049200000000 ] - [ 0.0055711100000000, 0.0000797400000000, -0.0018540500000000 ] - [ -0.0055422500000000, 0.0000797100000000, 0.0019525400000000 ] - [ -0.0048382000000000, 0.0000089400000000, 0.0017090400000000 ] - [ -0.0054236200000000, 0.0000000000000000, 0.0019602100000000 ] - [ -0.0048794600000000, 0.0000000000000000, 0.0017026500000000 ] - [ -0.0055422500000000, -0.0000797100000000, 0.0019525400000000 ] - [ -0.0048382000000000, -0.0000089400000000, 0.0017090400000000 ] - [ 0.0000462300000000, 0.0000000000000000, 0.0006293900000000 ] - [ 0.0011011800000000, 0.0000000000000000, 0.0013784700000000 ] - [ 0.0001464500000000, 0.0000961400000000, 0.0010596200000000 ] - [ 0.0010165600000000, -0.0000620000000000, 0.0013542800000000 ] - [ 0.0001464500000000, -0.0000961400000000, 0.0010596200000000 ] - [ 0.0010165600000000, 0.0000620000000000, 0.0013542800000000 ] - [ 0.0000169300000000, 0.0001675300000000, 0.0023193500000000 ] - [ -0.0000420000000000, -0.0001721900000000, 0.0003686600000000 ] - [ -0.0006663000000000, 0.0000000000000000, 0.0014065300000000 ] - [ -0.0005656200000000, 0.0000000000000000, 0.0007801800000000 ] - [ 0.0000169300000000, -0.0001675300000000, 0.0023193500000000 ] - [ -0.0000420000000000, 0.0001721900000000, 0.0003686600000000 ] - [ 0.0003300500000000, 0.0000000000000000, -0.0011909300000000 ] - [ 0.0010860500000000, 0.0000000000000000, -0.0008922700000000 ] - [ 0.0003550900000000, -0.0001058300000000, -0.0010787600000000 ] - [ 0.0009842300000000, 0.0000770800000000, -0.0009621400000000 ] - [ 0.0003550900000000, 0.0001058300000000, -0.0010787600000000 ] - [ 0.0009842300000000, -0.0000770800000000, -0.0009621400000000 ] - [ -0.0037433800000000, 0.0002464100000000, -0.0012099300000000 ] - [ 0.0000980700000000, 0.0000601600000000, -0.0012536800000000 ] - [ -0.0012838600000000, 0.0000000000000000, -0.0011015600000000 ] - [ -0.0000549400000000, 0.0000000000000000, -0.0012294700000000 ] - [ -0.0037433800000000, -0.0002464100000000, -0.0012099300000000 ] - [ 0.0000980700000000, -0.0000601600000000, -0.0012536800000000 ] - [ 0.0025163600000000, 0.0000000000000000, 0.0003732000000000 ] - [ 0.0015254800000000, 0.0000000000000000, 0.0027378500000000 ] - [ 0.0022612100000000, 0.0003318900000000, 0.0017517800000000 ] - [ 0.0016444700000000, -0.0000220300000000, 0.0026392400000000 ] - [ 0.0022612100000000, -0.0003318900000000, 0.0017517800000000 ] - [ 0.0016444700000000, 0.0000220300000000, 0.0026392400000000 ] - [ 0.0430211500000000, 0.0000000000000000, 0.0022290300000000 ] - [ -0.0007727900000000, 0.0000000000000000, 0.0006599100000000 ] - [ 0.0035924400000000, -0.0000314600000000, 0.0008225100000000 ] - [ -0.0006055400000000, 0.0000080500000000, 0.0006728900000000 ] - [ 0.0035924400000000, 0.0000314600000000, 0.0008225100000000 ] - [ -0.0006055400000000, -0.0000080500000000, 0.0006728900000000 ] - [ 0.0000560200000000, 0.0000140700000000, 0.0005658000000000 ] - [ -0.0002519500000000, -0.0000388900000000, 0.0006373200000000 ] - [ 0.0000539900000000, 0.0000000000000000, 0.0005751900000000 ] - [ -0.0002359300000000, 0.0000000000000000, 0.0006475000000000 ] - [ 0.0000560200000000, -0.0000140700000000, 0.0005658000000000 ] - [ -0.0002519500000000, 0.0000388900000000, 0.0006373200000000 ] - [ -0.0049489100000000, 0.0000000000000000, -0.0024678300000000 ] - [ -0.0050107700000000, 0.0000000000000000, 0.0009355600000000 ] - [ -0.0011203100000000, -0.0012987700000000, -0.0010471100000000 ] - [ -0.0011218400000000, 0.0011541000000000, -0.0003116800000000 ] - [ -0.0011203100000000, 0.0012987700000000, -0.0010471100000000 ] - [ -0.0011218400000000, -0.0011541000000000, -0.0003116800000000 ] - [ 0.0020030900000000, 0.0000000000000000, -0.0033503600000000 ] - [ 0.0017753200000000, 0.0000000000000000, -0.0020630400000000 ] - [ 0.0020575900000000, -0.0002527200000000, -0.0029765500000000 ] - [ 0.0018460400000000, 0.0001245700000000, -0.0021714500000000 ] - [ 0.0020575900000000, 0.0002527200000000, -0.0029765500000000 ] - [ 0.0018460400000000, -0.0001245700000000, -0.0021714500000000 ] - [ -0.0007809100000000, -0.0000333100000000, 0.0040573800000000 ] - [ -0.0027302700000000, -0.0000365800000000, 0.0022582400000000 ] - [ -0.0012832700000000, 0.0000000000000000, 0.0025749500000000 ] - [ -0.0024175300000000, 0.0000000000000000, 0.0023267000000000 ] - [ -0.0007809100000000, 0.0000333100000000, 0.0040573800000000 ] - [ -0.0027302700000000, 0.0000365800000000, 0.0022582400000000 ] - [ -0.0022028700000000, -0.0015349200000000, 0.0005893700000000 ] - [ -0.0030927300000000, 0.0004372100000000, -0.0029444800000000 ] - [ -0.0015545800000000, 0.0000000000000000, -0.0020033800000000 ] - [ -0.0026743900000000, 0.0000000000000000, -0.0027104500000000 ] - [ -0.0022028700000000, 0.0015349200000000, 0.0005893700000000 ] - [ -0.0030927300000000, -0.0004372100000000, -0.0029444800000000 ] - [ 0.0000126600000000, -0.0000607900000000, -0.0007347800000000 ] - [ -0.0003341200000000, 0.0000016400000000, -0.0008397600000000 ] - [ -0.0000415900000000, 0.0000000000000000, -0.0007530300000000 ] - [ -0.0003133600000000, 0.0000000000000000, -0.0008251300000000 ] - [ 0.0000126600000000, 0.0000607900000000, -0.0007347800000000 ] - [ -0.0003341200000000, -0.0000016400000000, -0.0008397600000000 ] - [ -0.0026182300000000, -0.0013350200000000, -0.0026004900000000 ] - [ -0.0029885100000000, 0.0000139000000000, 0.0016120700000000 ] - [ -0.0026366600000000, 0.0000000000000000, 0.0012933000000000 ] - [ -0.0027498600000000, 0.0000000000000000, 0.0016009900000000 ] - [ -0.0026182300000000, 0.0013350200000000, -0.0026004900000000 ] - [ -0.0029885100000000, -0.0000139000000000, 0.0016120700000000 ] - [ 0.0028698600000000, 0.0000000000000000, -0.0015997400000000 ] - [ 0.0022716500000000, 0.0000000000000000, -0.0014660800000000 ] - [ 0.0028414700000000, -0.0000166500000000, -0.0015291300000000 ] - [ 0.0023408200000000, 0.0000049800000000, -0.0014485200000000 ] - [ 0.0028414700000000, 0.0000166500000000, -0.0015291300000000 ] - [ 0.0023408200000000, -0.0000049800000000, -0.0014485200000000 ] - [ -0.0051884400000000, 0.0042322300000000, -0.0054843700000000 ] - [ -0.0031389900000000, -0.0002540200000000, -0.0012428700000000 ] - [ -0.0018122100000000, 0.0000000000000000, -0.0012392700000000 ] - [ -0.0029956900000000, 0.0000000000000000, -0.0014005400000000 ] - [ -0.0051884400000000, -0.0042322300000000, -0.0054843700000000 ] - [ -0.0031389900000000, 0.0002540200000000, -0.0012428700000000 ] - [ 0.0026105000000000, 0.0000000000000000, 0.0014210200000000 ] - [ 0.0024197400000000, 0.0000000000000000, 0.0011999100000000 ] - [ 0.0027127600000000, -0.0000655100000000, 0.0013786400000000 ] - [ 0.0023940400000000, 0.0000568800000000, 0.0012744100000000 ] - [ 0.0027127600000000, 0.0000655100000000, 0.0013786400000000 ] - [ 0.0023940400000000, -0.0000568800000000, 0.0012744100000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000942200000000, 0.0000805800000000, 0.0003897400000000 ] - [ -0.0000945200000000, 0.0000819000000000, 0.0003894300000000 ] - [ -0.0001253000000000, -0.0000424100000000, 0.0004548600000000 ] - [ -0.0000943100000000, -0.0000442700000000, 0.0003364400000000 ] - [ -0.0000661400000000, -0.0000373900000000, 0.0003183300000000 ] - [ -0.0000973700000000, -0.0000390100000000, 0.0004368900000000 ] - [ -0.0028168800000000, 0.0054991900000000, 0.0023305500000000 ] - [ -0.0000881500000000, 0.0002128300000000, -0.0003484400000000 ] - [ 0.0000990900000000, -0.0018109200000000, -0.0003906900000000 ] - [ 0.0000951000000000, -0.0004764800000000, -0.0003893000000000 ] - [ 0.0028157000000000, 0.0053253000000000, -0.0030119600000000 ] - [ 0.0002797200000000, 0.0002082600000000, -0.0004245200000000 ] - [ -0.0000947300000000, 0.0001176000000000, -0.0003885200000000 ] - [ -0.0000943800000000, 0.0000501000000000, -0.0003890200000000 ] - [ -0.0001188600000000, -0.0000591500000000, -0.0001424600000000 ] - [ -0.0001123900000000, -0.0000280600000000, -0.0003977700000000 ] - [ -0.0000729900000000, -0.0000543500000000, -0.0006304000000000 ] - [ -0.0000790700000000, -0.0000229900000000, -0.0003753000000000 ] - [ 0.0039020100000000, 0.0053014700000000, -0.0005125300000000 ] - [ 0.0003461000000000, 0.0002509600000000, 0.0003646700000000 ] - [ 0.0000897700000000, -0.0017571600000000, 0.0003883500000000 ] - [ 0.0000941300000000, -0.0005496800000000, 0.0003881900000000 ] - [ -0.0035008500000000, 0.0051287700000000, 0.0012916300000000 ] - [ -0.0001539900000000, 0.0002465300000000, 0.0004082600000000 ] - [ 0.0051484700000000, 0.0008299000000000, 0.0017403600000000 ] - [ 0.0051478300000000, 0.0023300000000000, 0.0017400900000000 ] - [ 0.0047739500000000, -0.0004139300000000, 0.0018588600000000 ] - [ 0.0062213800000000, -0.0017938700000000, 0.0023260200000000 ] - [ 0.0055254600000000, -0.0004030800000000, 0.0016242800000000 ] - [ 0.0040809100000000, -0.0017802300000000, 0.0011592600000000 ] - [ -0.0049608900000000, 0.0002331100000000, -0.0015693700000000 ] - [ -0.0053110800000000, 0.0001331500000000, -0.0015812500000000 ] - [ -0.0051489300000000, -0.0004954300000000, -0.0017399400000000 ] - [ -0.0051484000000000, -0.0002644900000000, -0.0017400700000000 ] - [ -0.0053369000000000, 0.0002214500000000, -0.0019134200000000 ] - [ -0.0049883300000000, 0.0001209300000000, -0.0019022000000000 ] - [ 0.0051552500000000, 0.0036008400000000, -0.0017275600000000 ] - [ 0.0051484600000000, 0.0003228100000000, -0.0017403800000000 ] - [ 0.0052001700000000, -0.0008711100000000, -0.0025067100000000 ] - [ 0.0051898700000000, -0.0001677400000000, -0.0017308000000000 ] - [ 0.0050985200000000, -0.0008614200000000, -0.0009820300000000 ] - [ 0.0051092600000000, -0.0001556600000000, -0.0017533900000000 ] - [ -0.0052124400000000, 0.0002172800000000, 0.0017173000000000 ] - [ -0.0051526000000000, 0.0000573700000000, 0.0016883700000000 ] - [ -0.0051483700000000, -0.0002866200000000, 0.0017397400000000 ] - [ -0.0051483900000000, -0.0001003200000000, 0.0017402500000000 ] - [ -0.0050876400000000, 0.0002023500000000, 0.0017679300000000 ] - [ -0.0051463400000000, 0.0000449100000000, 0.0017958300000000 ] - [ 0.0006438700000000, 0.0008824300000000, 0.0011113600000000 ] - [ 0.0006450600000000, 0.0001019700000000, 0.0011117100000000 ] - [ 0.0002818700000000, -0.0004462600000000, 0.0015078700000000 ] - [ 0.0006307400000000, -0.0000594300000000, 0.0010720300000000 ] - [ 0.0010114900000000, -0.0004432100000000, 0.0007106100000000 ] - [ 0.0006627800000000, -0.0000556700000000, 0.0011459300000000 ] - [ -0.0015378700000000, 0.0003294100000000, 0.0001122800000000 ] - [ 0.0000702300000000, 0.0001677200000000, 0.0006257300000000 ] - [ -0.0006458000000000, -0.0005005200000000, 0.0011118300000000 ] - [ -0.0006443400000000, -0.0003305400000000, 0.0011118600000000 ] - [ 0.0002433100000000, 0.0003236800000000, 0.0021020600000000 ] - [ -0.0013635000000000, 0.0001648900000000, 0.0015918700000000 ] - [ 0.0006442300000000, 0.0003671300000000, -0.0011115900000000 ] - [ 0.0006453500000000, 0.0002003600000000, -0.0011119100000000 ] - [ 0.0006983000000000, -0.0001759600000000, -0.0011817600000000 ] - [ 0.0005068500000000, -0.0000992200000000, -0.0011709100000000 ] - [ 0.0005949400000000, -0.0001734400000000, -0.0010362300000000 ] - [ 0.0007862000000000, -0.0000963500000000, -0.0010469900000000 ] - [ 0.0002447700000000, 0.0038561800000000, -0.0020549400000000 ] - [ -0.0006729600000000, 0.0000588600000000, -0.0010365900000000 ] - [ -0.0006438200000000, -0.0014132400000000, -0.0011080400000000 ] - [ -0.0006443300000000, -0.0001130700000000, -0.0011120800000000 ] - [ -0.0015593200000000, 0.0037332500000000, -0.0003024700000000 ] - [ -0.0006199900000000, 0.0000555000000000, -0.0011811700000000 ] - [ 0.0019812700000000, -0.0028922100000000, 0.0024214700000000 ] - [ 0.0019792700000000, -0.0001140600000000, 0.0024164600000000 ] - [ 0.0015186500000000, 0.0013829300000000, 0.0012263500000000 ] - [ 0.0020726500000000, 0.0000681200000000, 0.0023560300000000 ] - [ 0.0024300800000000, 0.0013610000000000, 0.0036002600000000 ] - [ 0.0018758600000000, 0.0000490300000000, 0.0024777100000000 ] - [ 0.0001502700000000, -0.0481003000000000, 0.0007236800000000 ] - [ 0.0001307300000000, -0.0002802900000000, 0.0006987800000000 ] - [ 0.0001061500000000, 0.0083898200000000, 0.0006638800000000 ] - [ 0.0001322200000000, 0.0001562700000000, 0.0006629300000000 ] - [ 0.0001561400000000, 0.0082871900000000, 0.0007364700000000 ] - [ 0.0001296100000000, 0.0001449700000000, 0.0007371900000000 ] - [ -0.0001504700000000, -0.0000567900000000, 0.0006808300000000 ] - [ -0.0000978800000000, -0.0000580400000000, 0.0006947500000000 ] - [ -0.0001307400000000, 0.0001042500000000, 0.0006987700000000 ] - [ -0.0001309500000000, 0.0001060700000000, 0.0006987700000000 ] - [ -0.0001111200000000, -0.0000454900000000, 0.0007185400000000 ] - [ -0.0001644900000000, -0.0000468000000000, 0.0007050900000000 ] - [ 0.0001236600000000, -0.0029126400000000, -0.0007010600000000 ] - [ 0.0001386500000000, -0.0029126500000000, -0.0007012500000000 ] - [ 0.0012803200000000, 0.0014504400000000, -0.0003409700000000 ] - [ -0.0011786500000000, 0.0014501800000000, -0.0003763900000000 ] - [ -0.0010143900000000, 0.0014389000000000, -0.0010591900000000 ] - [ 0.0014364000000000, 0.0014391300000000, -0.0010193600000000 ] - [ 0.0019757400000000, -0.0005670200000000, -0.0024182800000000 ] - [ 0.0019796600000000, -0.0003220300000000, -0.0024163300000000 ] - [ 0.0020586600000000, 0.0003236400000000, -0.0020327100000000 ] - [ 0.0019015900000000, 0.0001698300000000, -0.0022920100000000 ] - [ 0.0018906500000000, 0.0003053300000000, -0.0027994200000000 ] - [ 0.0020472800000000, 0.0001511800000000, -0.0025415600000000 ] - [ -0.0019192300000000, -0.0002696600000000, 0.0042948300000000 ] - [ -0.0016587800000000, -0.0000601300000000, 0.0024956800000000 ] - [ -0.0019802400000000, 0.0006445800000000, 0.0024175900000000 ] - [ -0.0019793900000000, 0.0001054500000000, 0.0024163600000000 ] - [ -0.0020270600000000, -0.0002440400000000, 0.0005410300000000 ] - [ -0.0022900600000000, -0.0000412400000000, 0.0023375700000000 ] - [ 0.0001534100000000, 0.0001561500000000, -0.0047326400000000 ] - [ -0.0022796500000000, -0.0002606700000000, -0.0025746500000000 ] - [ -0.0019779400000000, 0.0006379400000000, -0.0024173800000000 ] - [ -0.0019803800000000, 0.0004829800000000, -0.0024167300000000 ] - [ -0.0040987800000000, 0.0001804400000000, -0.0001009000000000 ] - [ -0.0016708500000000, -0.0002407800000000, -0.0022595000000000 ] - [ -0.0000759200000000, -0.0001346700000000, -0.0008674400000000 ] - [ -0.0001380000000000, -0.0000168600000000, -0.0006982900000000 ] - [ -0.0001309700000000, 0.0002657100000000, -0.0006989300000000 ] - [ -0.0001309500000000, 0.0000244100000000, -0.0006988500000000 ] - [ -0.0001863900000000, -0.0001233500000000, -0.0005333000000000 ] - [ -0.0001245000000000, -0.0000062200000000, -0.0007016300000000 ] - [ -0.0017906100000000, 0.0002744000000000, 0.0061146500000000 ] - [ -0.0028533300000000, -0.0000539600000000, 0.0013751900000000 ] - [ -0.0025661900000000, 0.0010483600000000, 0.0014082500000000 ] - [ -0.0025668600000000, 0.0001166800000000, 0.0014072100000000 ] - [ -0.0033320300000000, 0.0002763900000000, -0.0032658500000000 ] - [ -0.0022793000000000, -0.0000618200000000, 0.0014451100000000 ] - [ 0.0025670900000000, -0.0001197800000000, -0.0014083200000000 ] - [ 0.0025666200000000, -0.0000265000000000, -0.0014075300000000 ] - [ 0.0026852200000000, 0.0000485900000000, -0.0014433900000000 ] - [ 0.0026477100000000, 0.0000088800000000, -0.0013869200000000 ] - [ 0.0024484200000000, 0.0000577700000000, -0.0013763600000000 ] - [ 0.0024851500000000, 0.0000167900000000, -0.0014330500000000 ] - [ -0.0079902900000000, 0.0015018000000000, -0.0045647900000000 ] - [ -0.0024623600000000, -0.0002154900000000, -0.0016210800000000 ] - [ -0.0025676600000000, 0.0012207800000000, -0.0014078700000000 ] - [ -0.0025671000000000, 0.0004286100000000, -0.0014075600000000 ] - [ 0.0028207900000000, 0.0014822800000000, 0.0017270400000000 ] - [ -0.0026709700000000, -0.0002235700000000, -0.0011984100000000 ] - [ 0.0025668300000000, -0.0000840800000000, 0.0014069100000000 ] - [ 0.0025666500000000, -0.0002419100000000, 0.0014071700000000 ] - [ 0.0028742800000000, 0.0000378100000000, 0.0012984500000000 ] - [ 0.0026009200000000, 0.0001248800000000, 0.0013876100000000 ] - [ 0.0022587200000000, 0.0000453900000000, 0.0015212600000000 ] - [ 0.0025324500000000, 0.0001314400000000, 0.0014319500000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000730900000000, 0.0000000000000000, -0.0004316100000000 ] - [ -0.0001197800000000, 0.0000000000000000, -0.0000167700000000 ] - [ -0.0000810900000000, 0.0000042500000000, -0.0000432000000000 ] - [ -0.0001331500000000, 0.0000146500000000, 0.0000313500000000 ] - [ -0.0000810900000000, -0.0000042500000000, -0.0000432000000000 ] - [ -0.0001331500000000, -0.0000146500000000, 0.0000313500000000 ] - [ -0.0020512900000000, 0.0024423200000000, 0.0048593200000000 ] - [ -0.0000518500000000, -0.0000438600000000, -0.0000567100000000 ] - [ 0.0001564300000000, 0.0000000000000000, 0.0002188900000000 ] - [ 0.0000821700000000, 0.0000000000000000, -0.0001977700000000 ] - [ -0.0020512900000000, -0.0024423200000000, 0.0048593200000000 ] - [ -0.0000518500000000, 0.0000438600000000, -0.0000567100000000 ] - [ -0.0000104400000000, 0.0000000000000000, -0.0013619700000000 ] - [ -0.0001235900000000, 0.0000000000000000, -0.0006459600000000 ] - [ -0.0000004500000000, -0.0000125000000000, -0.0010599300000000 ] - [ -0.0001246500000000, -0.0000015500000000, -0.0005997500000000 ] - [ -0.0000004500000000, 0.0000125000000000, -0.0010599300000000 ] - [ -0.0001246500000000, 0.0000015500000000, -0.0005997500000000 ] - [ 0.0006642100000000, 0.0005018100000000, 0.0036718000000000 ] - [ 0.0001663400000000, -0.0000218600000000, 0.0007929500000000 ] - [ 0.0001052300000000, 0.0000000000000000, 0.0008461500000000 ] - [ 0.0000941700000000, 0.0000000000000000, 0.0007277300000000 ] - [ 0.0006642100000000, -0.0005018100000000, 0.0036718000000000 ] - [ 0.0001663400000000, 0.0000218600000000, 0.0007929500000000 ] - [ 0.0054892600000000, 0.0000000000000000, 0.0020444800000000 ] - [ 0.0036571000000000, 0.0000000000000000, 0.0022911000000000 ] - [ 0.0051613300000000, 0.0000358200000000, 0.0019863400000000 ] - [ 0.0046780200000000, 0.0004092700000000, 0.0023194700000000 ] - [ 0.0051613300000000, -0.0000358200000000, 0.0019863400000000 ] - [ 0.0046780200000000, -0.0004092700000000, 0.0023194700000000 ] - [ -0.0056279600000000, 0.0001692700000000, -0.0021641900000000 ] - [ -0.0049005200000000, 0.0000886200000000, -0.0018752300000000 ] - [ -0.0054783000000000, 0.0000000000000000, -0.0019909000000000 ] - [ -0.0049797900000000, 0.0000000000000000, -0.0017865500000000 ] - [ -0.0056279600000000, -0.0001692700000000, -0.0021641900000000 ] - [ -0.0049005200000000, -0.0000886200000000, -0.0018752300000000 ] - [ 0.0047792300000000, 0.0000000000000000, 0.0048879500000000 ] - [ 0.0051318000000000, 0.0000000000000000, -0.0016551200000000 ] - [ 0.0050617100000000, -0.0006610000000000, -0.0014436000000000 ] - [ 0.0051324400000000, -0.0000545700000000, -0.0016774400000000 ] - [ 0.0050617100000000, 0.0006610000000000, -0.0014436000000000 ] - [ 0.0051324400000000, 0.0000545700000000, -0.0016774400000000 ] - [ -0.0049546900000000, -0.0003235500000000, 0.0010618600000000 ] - [ -0.0052380100000000, -0.0000380800000000, 0.0015991600000000 ] - [ -0.0050509500000000, 0.0000000000000000, 0.0014056800000000 ] - [ -0.0052111600000000, 0.0000000000000000, 0.0016360000000000 ] - [ -0.0049546900000000, 0.0003235500000000, 0.0010618600000000 ] - [ -0.0052380100000000, 0.0000380800000000, 0.0015991600000000 ] - [ 0.0016299900000000, 0.0000000000000000, -0.0001104900000000 ] - [ 0.0004052700000000, 0.0000000000000000, 0.0009715300000000 ] - [ 0.0011275600000000, 0.0002453000000000, 0.0007091500000000 ] - [ 0.0004090100000000, 0.0000410300000000, 0.0009916700000000 ] - [ 0.0011275600000000, -0.0002453000000000, 0.0007091500000000 ] - [ 0.0004090100000000, -0.0000410300000000, 0.0009916700000000 ] - [ -0.0019055100000000, -0.0004814600000000, 0.0010150100000000 ] - [ -0.0003334000000000, -0.0000619600000000, 0.0010511000000000 ] - [ -0.0008954600000000, 0.0000000000000000, 0.0011404000000000 ] - [ -0.0005399900000000, 0.0000000000000000, 0.0011273500000000 ] - [ -0.0019055100000000, 0.0004814600000000, 0.0010150100000000 ] - [ -0.0003334000000000, 0.0000619600000000, 0.0010511000000000 ] - [ 0.0009578600000000, 0.0000000000000000, -0.0017465100000000 ] - [ 0.0002763800000000, 0.0000000000000000, -0.0014267900000000 ] - [ 0.0008386100000000, -0.0001807100000000, -0.0015568100000000 ] - [ 0.0004777100000000, -0.0000604900000000, -0.0013405600000000 ] - [ 0.0008386100000000, 0.0001807100000000, -0.0015568100000000 ] - [ 0.0004777100000000, 0.0000604900000000, -0.0013405600000000 ] - [ -0.0016043200000000, -0.0009495400000000, 0.0034043000000000 ] - [ -0.0007234000000000, 0.0000200700000000, -0.0009280800000000 ] - [ -0.0005910300000000, 0.0000000000000000, -0.0006396400000000 ] - [ -0.0007289400000000, 0.0000000000000000, -0.0009537200000000 ] - [ -0.0016043200000000, 0.0009495400000000, 0.0034043000000000 ] - [ -0.0007234000000000, -0.0000200700000000, -0.0009280800000000 ] - [ 0.0040302600000000, 0.0000000000000000, 0.0072827600000000 ] - [ 0.0019588800000000, 0.0000000000000000, 0.0023761600000000 ] - [ 0.0024866400000000, -0.0010415500000000, 0.0036661200000000 ] - [ 0.0020074500000000, -0.0000053500000000, 0.0023414200000000 ] - [ 0.0024866400000000, 0.0010415500000000, 0.0036661200000000 ] - [ 0.0020074500000000, 0.0000053500000000, 0.0023414200000000 ] - [ -0.0014391900000000, 0.0000000000000000, -0.0339790100000000 ] - [ 0.0001697400000000, 0.0000000000000000, 0.0005217100000000 ] - [ 0.0000079000000000, 0.0000292200000000, -0.0015257200000000 ] - [ 0.0001580000000000, 0.0000414500000000, 0.0005708400000000 ] - [ 0.0000079000000000, -0.0000292200000000, -0.0015257200000000 ] - [ 0.0001580000000000, -0.0000414500000000, 0.0005708400000000 ] - [ -0.0002659300000000, 0.0000150300000000, 0.0011289000000000 ] - [ -0.0001936600000000, 0.0000012900000000, 0.0009565400000000 ] - [ -0.0002551000000000, 0.0000000000000000, 0.0010399100000000 ] - [ -0.0001824300000000, 0.0000000000000000, 0.0008929000000000 ] - [ -0.0002659300000000, -0.0000150300000000, 0.0011289000000000 ] - [ -0.0001936600000000, -0.0000012900000000, 0.0009565400000000 ] - [ 0.0017500000000000, 0.0000000000000000, -0.0013524500000000 ] - [ -0.0016496000000000, 0.0000000000000000, -0.0013475800000000 ] - [ 0.0005170200000000, 0.0003246300000000, -0.0009745900000000 ] - [ -0.0002153400000000, 0.0003627500000000, -0.0009714500000000 ] - [ 0.0005170200000000, -0.0003246300000000, -0.0009745900000000 ] - [ -0.0002153400000000, -0.0003627500000000, -0.0009714500000000 ] - [ 0.0030637000000000, 0.0000000000000000, -0.0006847400000000 ] - [ 0.0018285500000000, 0.0000000000000000, -0.0022342300000000 ] - [ 0.0020852800000000, 0.0002753300000000, -0.0018476200000000 ] - [ 0.0018739100000000, 0.0000548700000000, -0.0022626400000000 ] - [ 0.0020852800000000, -0.0002753300000000, -0.0018476200000000 ] - [ 0.0018739100000000, -0.0000548700000000, -0.0022626400000000 ] - [ -0.0035505300000000, 0.0015041800000000, 0.0039691600000000 ] - [ -0.0015608800000000, 0.0000099200000000, 0.0024796000000000 ] - [ -0.0023560200000000, 0.0000000000000000, 0.0025619300000000 ] - [ -0.0018083100000000, 0.0000000000000000, 0.0024237200000000 ] - [ -0.0035505300000000, -0.0015041800000000, 0.0039691600000000 ] - [ -0.0015608800000000, -0.0000099200000000, 0.0024796000000000 ] - [ -0.0047487700000000, -0.0016499000000000, -0.0017045200000000 ] - [ -0.0014973100000000, -0.0002305100000000, -0.0023898000000000 ] - [ -0.0023330900000000, 0.0000000000000000, -0.0027587500000000 ] - [ -0.0017598200000000, 0.0000000000000000, -0.0024679300000000 ] - [ -0.0047487700000000, 0.0016499000000000, -0.0017045200000000 ] - [ -0.0014973100000000, 0.0002305100000000, -0.0023898000000000 ] - [ -0.0000957300000000, -0.0001697200000000, -0.0000700400000000 ] - [ 0.0000088500000000, -0.0000022800000000, -0.0005064000000000 ] - [ -0.0000761800000000, 0.0000000000000000, -0.0003309700000000 ] - [ -0.0000043600000000, 0.0000000000000000, -0.0005305100000000 ] - [ -0.0000957300000000, 0.0001697200000000, -0.0000700400000000 ] - [ 0.0000088500000000, 0.0000022800000000, -0.0005064000000000 ] - [ 0.0007881900000000, 0.0040903200000000, 0.0017408400000000 ] - [ -0.0026788500000000, 0.0000328700000000, 0.0012410200000000 ] - [ -0.0020206400000000, 0.0000000000000000, 0.0009828700000000 ] - [ -0.0025945600000000, 0.0000000000000000, 0.0012760500000000 ] - [ 0.0007881900000000, -0.0040903200000000, 0.0017408400000000 ] - [ -0.0026788500000000, -0.0000328700000000, 0.0012410200000000 ] - [ 0.0024147900000000, 0.0000000000000000, -0.0006620400000000 ] - [ 0.0027411500000000, 0.0000000000000000, -0.0012048400000000 ] - [ 0.0023746300000000, 0.0001594400000000, -0.0010156900000000 ] - [ 0.0026548700000000, 0.0000081200000000, -0.0012607200000000 ] - [ 0.0023746300000000, -0.0001594400000000, -0.0010156900000000 ] - [ 0.0026548700000000, -0.0000081200000000, -0.0012607200000000 ] - [ 0.0013000400000000, -0.0023088800000000, -0.0040651700000000 ] - [ -0.0025523700000000, -0.0000821100000000, -0.0016241600000000 ] - [ -0.0026226700000000, 0.0000000000000000, -0.0019949200000000 ] - [ -0.0025503300000000, 0.0000000000000000, -0.0015307000000000 ] - [ 0.0013000400000000, 0.0023088800000000, -0.0040651700000000 ] - [ -0.0025523700000000, 0.0000821100000000, -0.0016241600000000 ] - [ 0.0019670500000000, 0.0000000000000000, 0.0018875500000000 ] - [ 0.0027657800000000, 0.0000000000000000, 0.0016602300000000 ] - [ 0.0023307800000000, -0.0000168000000000, 0.0016712000000000 ] - [ 0.0027791700000000, -0.0000971400000000, 0.0016246200000000 ] - [ 0.0023307800000000, 0.0000168000000000, 0.0016712000000000 ] - [ 0.0027791700000000, 0.0000971400000000, 0.0016246200000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001171100000000, 0.0000000000000000, 0.0012119200000000 ] - [ -0.0000687200000000, 0.0000000000000000, 0.0007948500000000 ] - [ -0.0001108100000000, -0.0000100200000000, 0.0008156500000000 ] - [ -0.0000583300000000, -0.0000202500000000, 0.0007415000000000 ] - [ -0.0001108100000000, 0.0000100200000000, 0.0008156500000000 ] - [ -0.0000583300000000, 0.0000202500000000, 0.0007415000000000 ] - [ 0.0022046000000000, -0.0024046200000000, -0.0056336600000000 ] - [ 0.0002454200000000, 0.0000490500000000, -0.0007155400000000 ] - [ 0.0000320100000000, 0.0000000000000000, -0.0009959500000000 ] - [ 0.0001083500000000, 0.0000000000000000, -0.0005805100000000 ] - [ 0.0022046000000000, 0.0024046200000000, -0.0056336600000000 ] - [ 0.0002454200000000, -0.0000490500000000, -0.0007155400000000 ] - [ -0.0001784000000000, 0.0000000000000000, 0.0005866900000000 ] - [ -0.0000657800000000, 0.0000000000000000, -0.0001323900000000 ] - [ -0.0001909500000000, 0.0000068400000000, 0.0002855500000000 ] - [ -0.0000672600000000, -0.0000037500000000, -0.0001736500000000 ] - [ -0.0001909500000000, -0.0000068400000000, 0.0002855500000000 ] - [ -0.0000672600000000, 0.0000037500000000, -0.0001736500000000 ] - [ -0.0004850900000000, -0.0005039700000000, -0.0028973000000000 ] - [ 0.0000247400000000, 0.0000267400000000, -0.0000202500000000 ] - [ 0.0000834700000000, 0.0000000000000000, -0.0000655400000000 ] - [ 0.0000933800000000, 0.0000000000000000, 0.0000498900000000 ] - [ -0.0004850900000000, 0.0005039700000000, -0.0028973000000000 ] - [ 0.0000247400000000, -0.0000267400000000, -0.0000202500000000 ] - [ 0.0048064100000000, 0.0000000000000000, 0.0014336900000000 ] - [ 0.0066469300000000, 0.0000000000000000, 0.0011851900000000 ] - [ 0.0051383400000000, -0.0000476200000000, 0.0014958000000000 ] - [ 0.0056222300000000, -0.0004221300000000, 0.0011642100000000 ] - [ 0.0051383400000000, 0.0000476200000000, 0.0014958000000000 ] - [ 0.0056222300000000, 0.0004221300000000, 0.0011642100000000 ] - [ -0.0046691400000000, -0.0001593000000000, -0.0013186100000000 ] - [ -0.0053999400000000, -0.0000779400000000, -0.0016086900000000 ] - [ -0.0048203800000000, 0.0000000000000000, -0.0014904200000000 ] - [ -0.0053164200000000, 0.0000000000000000, -0.0016941300000000 ] - [ -0.0046691400000000, 0.0001593000000000, -0.0013186100000000 ] - [ -0.0053999400000000, 0.0000779400000000, -0.0016086900000000 ] - [ 0.0055797600000000, 0.0000000000000000, -0.0079331900000000 ] - [ 0.0051648200000000, 0.0000000000000000, -0.0018245700000000 ] - [ 0.0052355800000000, 0.0006463900000000, -0.0020360200000000 ] - [ 0.0051662700000000, 0.0000422200000000, -0.0018060900000000 ] - [ 0.0052355800000000, -0.0006463900000000, -0.0020360200000000 ] - [ 0.0051662700000000, -0.0000422200000000, -0.0018060900000000 ] - [ -0.0053444400000000, 0.0003357700000000, 0.0024213900000000 ] - [ -0.0050612200000000, 0.0000500900000000, 0.0018849500000000 ] - [ -0.0052455300000000, 0.0000000000000000, 0.0020741100000000 ] - [ -0.0050858300000000, 0.0000000000000000, 0.0018447200000000 ] - [ -0.0053444400000000, -0.0003357700000000, 0.0024213900000000 ] - [ -0.0050612200000000, -0.0000500900000000, 0.0018849500000000 ] - [ -0.0003482300000000, 0.0000000000000000, 0.0023464700000000 ] - [ 0.0008845100000000, 0.0000000000000000, 0.0012510900000000 ] - [ 0.0001672400000000, -0.0002495800000000, 0.0015072400000000 ] - [ 0.0008839500000000, -0.0000448900000000, 0.0012255200000000 ] - [ 0.0001672400000000, 0.0002495800000000, 0.0015072400000000 ] - [ 0.0008839500000000, 0.0000448900000000, 0.0012255200000000 ] - [ 0.0006039000000000, 0.0004819300000000, 0.0012051500000000 ] - [ -0.0009587200000000, 0.0000652100000000, 0.0011685200000000 ] - [ -0.0003946700000000, 0.0000000000000000, 0.0010854600000000 ] - [ -0.0007493100000000, 0.0000000000000000, 0.0010979100000000 ] - [ 0.0006039000000000, -0.0004819300000000, 0.0012051500000000 ] - [ -0.0009587200000000, -0.0000652100000000, 0.0011685200000000 ] - [ 0.0003331600000000, 0.0000000000000000, -0.0004786400000000 ] - [ 0.0010115900000000, 0.0000000000000000, -0.0007968900000000 ] - [ 0.0004552000000000, 0.0001763300000000, -0.0006618500000000 ] - [ 0.0008146500000000, 0.0000568100000000, -0.0008771800000000 ] - [ 0.0004552000000000, -0.0001763300000000, -0.0006618500000000 ] - [ 0.0008146500000000, -0.0000568100000000, -0.0008771800000000 ] - [ 0.0002825600000000, 0.0011324900000000, -0.0058221700000000 ] - [ -0.0005690900000000, -0.0000168700000000, -0.0012900600000000 ] - [ -0.0006983600000000, 0.0000000000000000, -0.0015845600000000 ] - [ -0.0005597800000000, 0.0000000000000000, -0.0012707400000000 ] - [ 0.0002825600000000, -0.0011324900000000, -0.0058221700000000 ] - [ -0.0005690900000000, 0.0000168700000000, -0.0012900600000000 ] - [ -0.0001006800000000, 0.0000000000000000, -0.0025083500000000 ] - [ 0.0020004100000000, 0.0000000000000000, 0.0024577900000000 ] - [ 0.0014634800000000, 0.0010651100000000, 0.0011639000000000 ] - [ 0.0019415000000000, 0.0000247600000000, 0.0024932600000000 ] - [ 0.0014634800000000, -0.0010651100000000, 0.0011639000000000 ] - [ 0.0019415000000000, -0.0000247600000000, 0.0024932600000000 ] - [ 0.0017646200000000, 0.0000000000000000, 0.0353466600000000 ] - [ 0.0000915400000000, 0.0000000000000000, 0.0008760600000000 ] - [ 0.0002579900000000, -0.0000409800000000, 0.0029274500000000 ] - [ 0.0001038100000000, -0.0000303000000000, 0.0008293300000000 ] - [ 0.0002579900000000, 0.0000409800000000, 0.0029274500000000 ] - [ 0.0001038100000000, 0.0000303000000000, 0.0008293300000000 ] - [ 0.0000033100000000, -0.0000251700000000, 0.0002713600000000 ] - [ -0.0000677500000000, -0.0000115500000000, 0.0004433200000000 ] - [ -0.0000068700000000, 0.0000000000000000, 0.0003584400000000 ] - [ -0.0000793100000000, 0.0000000000000000, 0.0005048900000000 ] - [ 0.0000033100000000, 0.0000251700000000, 0.0002713600000000 ] - [ -0.0000677500000000, 0.0000115500000000, 0.0004433200000000 ] - [ -0.0014980700000000, 0.0000000000000000, -0.0000590100000000 ] - [ 0.0019162800000000, 0.0000000000000000, -0.0000541000000000 ] - [ -0.0002574400000000, -0.0003155800000000, -0.0004311400000000 ] - [ 0.0004789900000000, -0.0003527300000000, -0.0004279800000000 ] - [ -0.0002574400000000, 0.0003155800000000, -0.0004311400000000 ] - [ 0.0004789900000000, 0.0003527300000000, -0.0004279800000000 ] - [ 0.0008964600000000, 0.0000000000000000, -0.0041394700000000 ] - [ 0.0021298800000000, 0.0000000000000000, -0.0025993200000000 ] - [ 0.0018639000000000, -0.0002550600000000, -0.0029846100000000 ] - [ 0.0020748200000000, -0.0000358600000000, -0.0025716900000000 ] - [ 0.0018639000000000, 0.0002550600000000, -0.0029846100000000 ] - [ 0.0020748200000000, 0.0000358600000000, -0.0025716900000000 ] - [ -0.0004109500000000, -0.0015083300000000, 0.0008817400000000 ] - [ -0.0023863100000000, -0.0000288400000000, 0.0023529200000000 ] - [ -0.0016045300000000, 0.0000000000000000, 0.0022699500000000 ] - [ -0.0021503600000000, 0.0000000000000000, 0.0024083000000000 ] - [ -0.0004109500000000, 0.0015083300000000, 0.0008817400000000 ] - [ -0.0023863100000000, 0.0000288400000000, 0.0023529200000000 ] - [ 0.0008151800000000, 0.0016449700000000, -0.0031269400000000 ] - [ -0.0024526700000000, 0.0002122300000000, -0.0024435900000000 ] - [ -0.0016256000000000, 0.0000000000000000, -0.0020723100000000 ] - [ -0.0021992100000000, 0.0000000000000000, -0.0023644500000000 ] - [ 0.0008151800000000, -0.0016449700000000, -0.0031269400000000 ] - [ -0.0024526700000000, -0.0002122300000000, -0.0024435900000000 ] - [ -0.0001668800000000, 0.0001619200000000, -0.0013309500000000 ] - [ -0.0002712300000000, -0.0000080900000000, -0.0008930800000000 ] - [ -0.0001856000000000, 0.0000000000000000, -0.0010659600000000 ] - [ -0.0002572800000000, 0.0000000000000000, -0.0008667800000000 ] - [ -0.0001668800000000, -0.0001619200000000, -0.0013309500000000 ] - [ -0.0002712300000000, 0.0000080900000000, -0.0008930800000000 ] - [ -0.0058800900000000, -0.0040385200000000, 0.0010752300000000 ] - [ -0.0024540400000000, -0.0000249500000000, 0.0015784400000000 ] - [ -0.0031097900000000, 0.0000000000000000, 0.0018285200000000 ] - [ -0.0025389100000000, 0.0000000000000000, 0.0015380400000000 ] - [ -0.0058800900000000, 0.0040385200000000, 0.0010752300000000 ] - [ -0.0024540400000000, 0.0000249500000000, 0.0015784400000000 ] - [ 0.0027197500000000, 0.0000000000000000, -0.0021547400000000 ] - [ 0.0023931600000000, 0.0000000000000000, -0.0016098700000000 ] - [ 0.0027582900000000, -0.0001669500000000, -0.0018035200000000 ] - [ 0.0024783600000000, -0.0000158800000000, -0.0015592100000000 ] - [ 0.0027582900000000, 0.0001669500000000, -0.0018035200000000 ] - [ 0.0024783600000000, 0.0000158800000000, -0.0015592100000000 ] - [ -0.0064442800000000, 0.0023208900000000, 0.0012582500000000 ] - [ -0.0025817500000000, 0.0000903800000000, -0.0011951500000000 ] - [ -0.0025103500000000, 0.0000000000000000, -0.0008189300000000 ] - [ -0.0025841200000000, 0.0000000000000000, -0.0012840900000000 ] - [ -0.0064442800000000, -0.0023208900000000, 0.0012582500000000 ] - [ -0.0025817500000000, -0.0000903800000000, -0.0011951500000000 ] - [ 0.0031726200000000, 0.0000000000000000, 0.0009257800000000 ] - [ 0.0023681400000000, 0.0000000000000000, 0.0011548300000000 ] - [ 0.0028012400000000, 0.0000099600000000, 0.0011494200000000 ] - [ 0.0023537800000000, 0.0000911500000000, 0.0011956900000000 ] - [ 0.0028012400000000, -0.0000099600000000, 0.0011494200000000 ] - [ 0.0023537800000000, -0.0000911500000000, 0.0011956900000000 ]- atom: 121 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001579200000000, 0.0000828800000000, 0.0000837800000000 ] - [ -0.0003570700000000, 0.0000435600000000, 0.0004126300000000 ] - [ 0.0001579200000000, -0.0000828800000000, 0.0000837800000000 ] - [ -0.0003570700000000, -0.0000435600000000, 0.0004126300000000 ] - [ 0.0001881400000000, 0.0000000000000000, 0.0005018400000000 ] - [ -0.0003345400000000, 0.0000000000000000, 0.0004081700000000 ] - [ -0.0007175200000000, 0.0000000000000000, -0.0013924600000000 ] - [ -0.0008789800000000, 0.0000000000000000, 0.0009835600000000 ] - [ -0.0003792100000000, 0.0001361900000000, -0.0010145500000000 ] - [ -0.0000874000000000, -0.0004378700000000, -0.0003225300000000 ] - [ -0.0003792100000000, -0.0001361900000000, -0.0010145500000000 ] - [ -0.0000874000000000, 0.0004378700000000, -0.0003225300000000 ] - [ -0.0000401300000000, 0.0000497900000000, -0.0001728800000000 ] - [ -0.0002496600000000, 0.0000622100000000, -0.0007753800000000 ] - [ -0.0000401300000000, -0.0000497900000000, -0.0001728800000000 ] - [ -0.0002496600000000, -0.0000622100000000, -0.0007753800000000 ] - [ -0.0000899000000000, 0.0000000000000000, -0.0000840600000000 ] - [ -0.0001791300000000, 0.0000000000000000, -0.0004255400000000 ] - [ 0.0018517100000000, 0.0000000000000000, -0.0086697200000000 ] - [ -0.0003042200000000, 0.0000000000000000, 0.0003887800000000 ] - [ 0.0011176000000000, -0.0001388100000000, -0.0003439700000000 ] - [ -0.0002689700000000, -0.0000448300000000, 0.0003999600000000 ] - [ 0.0011176000000000, 0.0001388100000000, -0.0003439700000000 ] - [ -0.0002689700000000, 0.0000448300000000, 0.0003999600000000 ] - [ 0.0051635800000000, 0.0002618400000000, 0.0021598200000000 ] - [ 0.0049481800000000, -0.0000231500000000, 0.0014950400000000 ] - [ 0.0051635800000000, -0.0002618400000000, 0.0021598200000000 ] - [ 0.0049481800000000, 0.0000231500000000, 0.0014950400000000 ] - [ 0.0053780000000000, 0.0000000000000000, 0.0017304000000000 ] - [ 0.0049398600000000, 0.0000000000000000, 0.0015650700000000 ] - [ -0.0052716500000000, 0.0000000000000000, -0.0017462900000000 ] - [ -0.0051296200000000, 0.0000000000000000, -0.0017283400000000 ] - [ -0.0052865400000000, -0.0000215300000000, -0.0017630300000000 ] - [ -0.0050125800000000, -0.0000995100000000, -0.0017801300000000 ] - [ -0.0052865400000000, 0.0000215300000000, -0.0017630300000000 ] - [ -0.0050125800000000, 0.0000995100000000, -0.0017801300000000 ] - [ 0.0132903200000000, 0.0087237800000000, -0.0062146800000000 ] - [ 0.0045595800000000, 0.0003629300000000, -0.0015839400000000 ] - [ 0.0132903200000000, -0.0087237800000000, -0.0062146800000000 ] - [ 0.0045595800000000, -0.0003629300000000, -0.0015839400000000 ] - [ 0.0056257000000000, 0.0000000000000000, -0.0019024500000000 ] - [ 0.0048795900000000, 0.0000000000000000, -0.0016939400000000 ] - [ -0.0044435700000000, 0.0000000000000000, 0.0019391300000000 ] - [ -0.0057696500000000, 0.0000000000000000, 0.0014106900000000 ] - [ -0.0048228300000000, 0.0000291200000000, 0.0023542900000000 ] - [ -0.0054670800000000, -0.0002405600000000, 0.0017844600000000 ] - [ -0.0048228300000000, -0.0000291200000000, 0.0023542900000000 ] - [ -0.0054670800000000, 0.0002405600000000, 0.0017844600000000 ] - [ 0.0009272700000000, 0.0001760000000000, 0.0011450900000000 ] - [ 0.0003861800000000, 0.0000444500000000, 0.0010706800000000 ] - [ 0.0009272700000000, -0.0001760000000000, 0.0011450900000000 ] - [ 0.0003861800000000, -0.0000444500000000, 0.0010706800000000 ] - [ 0.0008575300000000, 0.0000000000000000, 0.0010914400000000 ] - [ 0.0004734000000000, 0.0000000000000000, 0.0010716100000000 ] - [ 0.0311936400000000, 0.0000000000000000, 0.0168156300000000 ] - [ -0.0012784700000000, 0.0000000000000000, 0.0011591700000000 ] - [ 0.0007707700000000, -0.0007489500000000, 0.0013330500000000 ] - [ -0.0012583000000000, -0.0000243900000000, 0.0011159900000000 ] - [ 0.0007707700000000, 0.0007489500000000, 0.0013330500000000 ] - [ -0.0012583000000000, 0.0000243900000000, 0.0011159900000000 ] - [ 0.0003174500000000, 0.0000158100000000, -0.0005713200000000 ] - [ -0.0002735800000000, 0.0009422500000000, -0.0020172900000000 ] - [ 0.0003174500000000, -0.0000158100000000, -0.0005713200000000 ] - [ -0.0002735800000000, -0.0009422500000000, -0.0020172900000000 ] - [ 0.0003702300000000, 0.0000000000000000, -0.0004705500000000 ] - [ 0.0008310600000000, 0.0000000000000000, -0.0010224400000000 ] - [ 0.0000747200000000, 0.0000000000000000, -0.0012124900000000 ] - [ -0.0009885100000000, 0.0000000000000000, -0.0007930800000000 ] - [ -0.0005689000000000, 0.0000097000000000, -0.0013732800000000 ] - [ -0.0007734500000000, -0.0000841700000000, -0.0010562900000000 ] - [ -0.0005689000000000, -0.0000097000000000, -0.0013732800000000 ] - [ -0.0007734500000000, 0.0000841700000000, -0.0010562900000000 ] - [ 0.0018935200000000, -0.0000933400000000, 0.0024819500000000 ] - [ 0.0020725800000000, -0.0001283500000000, 0.0023837700000000 ] - [ 0.0018935200000000, 0.0000933400000000, 0.0024819500000000 ] - [ 0.0020725800000000, 0.0001283500000000, 0.0023837700000000 ] - [ 0.0019596300000000, 0.0000000000000000, 0.0025089500000000 ] - [ 0.0019997400000000, 0.0000000000000000, 0.0024156500000000 ] - [ 0.0001784100000000, 0.0007474700000000, 0.0040178600000000 ] - [ 0.0005532700000000, -0.0002986600000000, 0.0005862700000000 ] - [ 0.0001784100000000, -0.0007474700000000, 0.0040178600000000 ] - [ 0.0005532700000000, 0.0002986600000000, 0.0005862700000000 ] - [ 0.0002015000000000, 0.0000000000000000, 0.0012454100000000 ] - [ 0.0003151900000000, 0.0000000000000000, 0.0006733400000000 ] - [ 0.0000164400000000, 0.0000000000000000, 0.0005022600000000 ] - [ -0.0001754200000000, 0.0000000000000000, 0.0013031400000000 ] - [ 0.0000425500000000, 0.0000229000000000, 0.0004859800000000 ] - [ -0.0002775200000000, 0.0002958400000000, 0.0009336700000000 ] - [ 0.0000425500000000, -0.0000229000000000, 0.0004859800000000 ] - [ -0.0002775200000000, -0.0002958400000000, 0.0009336700000000 ] - [ 0.0027681000000000, -0.0054481200000000, -0.0045932000000000 ] - [ 0.0007022700000000, 0.0000912400000000, -0.0007131500000000 ] - [ 0.0027681000000000, 0.0054481200000000, -0.0045932000000000 ] - [ 0.0007022700000000, -0.0000912400000000, -0.0007131500000000 ] - [ -0.0006222300000000, 0.0000000000000000, -0.0006459600000000 ] - [ 0.0005601000000000, 0.0000000000000000, -0.0007178800000000 ] - [ -0.0012341100000000, -0.0034744700000000, -0.0004112500000000 ] - [ 0.0024943200000000, -0.0000713200000000, -0.0024939800000000 ] - [ -0.0012341100000000, 0.0034744700000000, -0.0004112500000000 ] - [ 0.0024943200000000, 0.0000713200000000, -0.0024939800000000 ] - [ 0.0012986400000000, 0.0000000000000000, -0.0027593500000000 ] - [ 0.0023853200000000, 0.0000000000000000, -0.0024925300000000 ] - [ 0.0031077200000000, 0.0000000000000000, -0.0005772400000000 ] - [ 0.0021208000000000, 0.0000000000000000, 0.0027760900000000 ] - [ -0.0003381300000000, -0.0007147500000000, 0.0016867200000000 ] - [ -0.0019910800000000, 0.0004841100000000, 0.0021908800000000 ] - [ -0.0003381300000000, 0.0007147500000000, 0.0016867200000000 ] - [ -0.0019910800000000, -0.0004841100000000, 0.0021908800000000 ] - [ -0.0019083400000000, 0.0000000000000000, -0.0030772600000000 ] - [ -0.0016176200000000, 0.0000000000000000, -0.0023607500000000 ] - [ -0.0022518900000000, 0.0001846900000000, -0.0022012900000000 ] - [ -0.0017081900000000, -0.0000044500000000, -0.0023631100000000 ] - [ -0.0022518900000000, -0.0001846900000000, -0.0022012900000000 ] - [ -0.0017081900000000, 0.0000044500000000, -0.0023631100000000 ] - [ -0.0004339100000000, 0.0000000000000000, -0.0008536400000000 ] - [ 0.0001640000000000, 0.0000000000000000, -0.0005276100000000 ] - [ -0.0004057500000000, 0.0001067400000000, -0.0008903400000000 ] - [ 0.0000948800000000, 0.0000697000000000, -0.0006107300000000 ] - [ -0.0004057500000000, -0.0001067400000000, -0.0008903400000000 ] - [ 0.0000948800000000, -0.0000697000000000, -0.0006107300000000 ] - [ -0.0583255800000000, 0.0000000000000000, 0.0029922300000000 ] - [ -0.0021815800000000, 0.0000000000000000, 0.0014271700000000 ] - [ -0.0056953800000000, -0.0023590200000000, 0.0028416700000000 ] - [ -0.0021758100000000, 0.0001826800000000, 0.0013819300000000 ] - [ -0.0056953800000000, 0.0023590200000000, 0.0028416700000000 ] - [ -0.0021758100000000, -0.0001826800000000, 0.0013819300000000 ] - [ 0.0026332400000000, -0.0001517900000000, -0.0017400200000000 ] - [ 0.0032155700000000, -0.0000240900000000, -0.0011107000000000 ] - [ 0.0026332400000000, 0.0001517900000000, -0.0017400200000000 ] - [ 0.0032155700000000, 0.0000240900000000, -0.0011107000000000 ] - [ 0.0026934600000000, 0.0000000000000000, -0.0015604300000000 ] - [ 0.0024692100000000, 0.0000000000000000, -0.0013877600000000 ] - [ -0.0026623600000000, 0.0000000000000000, -0.0005932900000000 ] - [ -0.0026622800000000, 0.0000000000000000, -0.0021805300000000 ] - [ -0.0025283900000000, 0.0000072500000000, -0.0010594600000000 ] - [ -0.0025286300000000, 0.0002194500000000, -0.0015067900000000 ] - [ -0.0025283900000000, -0.0000072500000000, -0.0010594600000000 ] - [ -0.0025286300000000, -0.0002194500000000, -0.0015067900000000 ] - [ 0.0024714900000000, -0.0000738500000000, 0.0015172500000000 ] - [ 0.0027092600000000, -0.0000088400000000, 0.0014092900000000 ] - [ 0.0024714900000000, 0.0000738500000000, 0.0015172500000000 ] - [ 0.0027092600000000, 0.0000088400000000, 0.0014092900000000 ] - [ 0.0023750500000000, 0.0000000000000000, 0.0013737400000000 ] - [ 0.0026692500000000, 0.0000000000000000, 0.0014146400000000 ]- atom: 121 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003474800000000, -0.0000728500000000, 0.0006945300000000 ] - [ 0.0001686600000000, -0.0000333100000000, 0.0003659700000000 ] - [ -0.0003474800000000, 0.0000728500000000, 0.0006945300000000 ] - [ 0.0001686600000000, 0.0000333100000000, 0.0003659700000000 ] - [ -0.0003831100000000, 0.0000000000000000, 0.0002658700000000 ] - [ 0.0001403500000000, 0.0000000000000000, 0.0003606100000000 ] - [ 0.0009195900000000, 0.0000000000000000, 0.0006307800000000 ] - [ 0.0010661300000000, 0.0000000000000000, -0.0017534100000000 ] - [ 0.0005677900000000, -0.0001273100000000, 0.0002356000000000 ] - [ 0.0002755200000000, 0.0004483500000000, -0.0004551400000000 ] - [ 0.0005677900000000, 0.0001273100000000, 0.0002356000000000 ] - [ 0.0002755200000000, -0.0004483500000000, -0.0004551400000000 ] - [ -0.0001486600000000, -0.0000396200000000, -0.0006058500000000 ] - [ 0.0000610800000000, -0.0000520500000000, -0.0000016900000000 ] - [ -0.0001486600000000, 0.0000396200000000, -0.0006058500000000 ] - [ 0.0000610800000000, 0.0000520500000000, -0.0000016900000000 ] - [ -0.0001039800000000, 0.0000000000000000, -0.0006845200000000 ] - [ -0.0000151400000000, 0.0000000000000000, -0.0003426800000000 ] - [ -0.0018162500000000, 0.0000000000000000, 0.0094876100000000 ] - [ 0.0004996900000000, 0.0000000000000000, 0.0003792000000000 ] - [ -0.0009274800000000, 0.0001497500000000, 0.0011216500000000 ] - [ 0.0004584500000000, 0.0000546200000000, 0.0003780700000000 ] - [ -0.0009274800000000, -0.0001497500000000, 0.0011216500000000 ] - [ 0.0004584500000000, -0.0000546200000000, 0.0003780700000000 ] - [ 0.0051336100000000, -0.0002383900000000, 0.0013221800000000 ] - [ 0.0053494800000000, 0.0000484000000000, 0.0019867400000000 ] - [ 0.0051336100000000, 0.0002383900000000, 0.0013221800000000 ] - [ 0.0053494800000000, -0.0000484000000000, 0.0019867400000000 ] - [ 0.0049232500000000, 0.0000000000000000, 0.0017576400000000 ] - [ 0.0053617300000000, 0.0000000000000000, 0.0019225700000000 ] - [ -0.0050289100000000, 0.0000000000000000, -0.0017406800000000 ] - [ -0.0051711500000000, 0.0000000000000000, -0.0017594400000000 ] - [ -0.0050101400000000, 0.0000457700000000, -0.0017167900000000 ] - [ -0.0052845400000000, 0.0001241200000000, -0.0016998800000000 ] - [ -0.0050101400000000, -0.0000457700000000, -0.0017167900000000 ] - [ -0.0052845400000000, -0.0001241200000000, -0.0016998800000000 ] - [ -0.0030076800000000, -0.0089412900000000, 0.0027878100000000 ] - [ 0.0057387500000000, -0.0003394600000000, -0.0018976000000000 ] - [ -0.0030076800000000, 0.0089412900000000, 0.0027878100000000 ] - [ 0.0057387500000000, 0.0003394600000000, -0.0018976000000000 ] - [ 0.0046768300000000, 0.0000000000000000, -0.0015854000000000 ] - [ 0.0054219800000000, 0.0000000000000000, -0.0017944000000000 ] - [ -0.0058557100000000, 0.0000000000000000, 0.0015464000000000 ] - [ -0.0045295500000000, 0.0000000000000000, 0.0020789400000000 ] - [ -0.0054721200000000, -0.0000069800000000, 0.0011230200000000 ] - [ -0.0048292600000000, 0.0002657900000000, 0.0016958100000000 ] - [ -0.0054721200000000, 0.0000069800000000, 0.0011230200000000 ] - [ -0.0048292600000000, -0.0002657900000000, 0.0016958100000000 ] - [ 0.0003614900000000, -0.0001703500000000, 0.0010781400000000 ] - [ 0.0009039300000000, -0.0000377500000000, 0.0011533600000000 ] - [ 0.0003614900000000, 0.0001703500000000, 0.0010781400000000 ] - [ 0.0009039300000000, 0.0000377500000000, 0.0011533600000000 ] - [ 0.0004394100000000, 0.0000000000000000, 0.0011201100000000 ] - [ 0.0008239500000000, 0.0000000000000000, 0.0011402300000000 ] - [ -0.0310598800000000, 0.0000000000000000, -0.0137603700000000 ] - [ -0.0000171600000000, 0.0000000000000000, 0.0010503500000000 ] - [ -0.0020624900000000, 0.0007533500000000, 0.0008896600000000 ] - [ -0.0000310800000000, 0.0000308000000000, 0.0011070900000000 ] - [ -0.0020624900000000, -0.0007533500000000, 0.0008896600000000 ] - [ -0.0000310800000000, -0.0000308000000000, 0.0011070900000000 ] - [ 0.0009731200000000, -0.0000082300000000, -0.0016537600000000 ] - [ 0.0015642900000000, -0.0009379300000000, -0.0002051900000000 ] - [ 0.0009731200000000, 0.0000082300000000, -0.0016537600000000 ] - [ 0.0015642900000000, 0.0009379300000000, -0.0002051900000000 ] - [ 0.0009263200000000, 0.0000000000000000, -0.0017379000000000 ] - [ 0.0004651200000000, 0.0000000000000000, -0.0011899700000000 ] - [ -0.0013751700000000, 0.0000000000000000, -0.0009968400000000 ] - [ -0.0003075500000000, 0.0000000000000000, -0.0014185400000000 ] - [ -0.0007206300000000, -0.0000031100000000, -0.0008497700000000 ] - [ -0.0005158800000000, 0.0000910000000000, -0.0011670200000000 ] - [ -0.0007206300000000, 0.0000031100000000, -0.0008497700000000 ] - [ -0.0005158800000000, -0.0000910000000000, -0.0011670200000000 ] - [ 0.0020656000000000, 0.0000552900000000, 0.0023498500000000 ] - [ 0.0018859400000000, 0.0000907500000000, 0.0024483100000000 ] - [ 0.0020656000000000, -0.0000552900000000, 0.0023498500000000 ] - [ 0.0018859400000000, -0.0000907500000000, 0.0024483100000000 ] - [ 0.0019791300000000, 0.0000000000000000, 0.0023249000000000 ] - [ 0.0019390400000000, 0.0000000000000000, 0.0024181200000000 ] - [ 0.0000823100000000, -0.0007928000000000, -0.0026500600000000 ] - [ -0.0002913600000000, 0.0002763600000000, 0.0008111000000000 ] - [ 0.0000823100000000, 0.0007928000000000, -0.0026500600000000 ] - [ -0.0002913600000000, -0.0002763600000000, 0.0008111000000000 ] - [ 0.0000606900000000, 0.0000000000000000, 0.0001562500000000 ] - [ -0.0000525900000000, 0.0000000000000000, 0.0007292500000000 ] - [ -0.0002794100000000, 0.0000000000000000, 0.0009001000000000 ] - [ -0.0000869200000000, 0.0000000000000000, 0.0000975300000000 ] - [ -0.0003041500000000, -0.0000441700000000, 0.0009112900000000 ] - [ 0.0000162200000000, -0.0003187500000000, 0.0004632500000000 ] - [ -0.0003041500000000, 0.0000441700000000, 0.0009112900000000 ] - [ 0.0000162200000000, 0.0003187500000000, 0.0004632500000000 ] - [ -0.0024500900000000, 0.0053645000000000, 0.0031519700000000 ] - [ -0.0004437000000000, -0.0001166100000000, -0.0006839200000000 ] - [ -0.0024500900000000, -0.0053645000000000, 0.0031519700000000 ] - [ -0.0004437000000000, 0.0001166100000000, -0.0006839200000000 ] - [ 0.0008858100000000, 0.0000000000000000, -0.0007582800000000 ] - [ -0.0002980800000000, 0.0000000000000000, -0.0006842700000000 ] - [ 0.0051958100000000, 0.0034367600000000, -0.0044118800000000 ] - [ 0.0014634600000000, 0.0000335300000000, -0.0023379700000000 ] - [ 0.0051958100000000, -0.0034367600000000, -0.0044118800000000 ] - [ 0.0014634600000000, -0.0000335300000000, -0.0023379700000000 ] - [ 0.0026406200000000, 0.0000000000000000, -0.0020731200000000 ] - [ 0.0015536200000000, 0.0000000000000000, -0.0023410700000000 ] - [ -0.0071496300000000, 0.0000000000000000, 0.0054824800000000 ] - [ -0.0060719900000000, 0.0000000000000000, 0.0020575000000000 ] - [ -0.0036238300000000, 0.0006781000000000, 0.0031435600000000 ] - [ -0.0019666400000000, -0.0005236200000000, 0.0026430600000000 ] - [ -0.0036238300000000, -0.0006781000000000, 0.0031435600000000 ] - [ -0.0019666400000000, 0.0005236200000000, 0.0026430600000000 ] - [ -0.0020303400000000, 0.0000000000000000, -0.0017538500000000 ] - [ -0.0023221200000000, 0.0000000000000000, -0.0024740800000000 ] - [ -0.0017065100000000, -0.0002229900000000, -0.0026318900000000 ] - [ -0.0022510900000000, -0.0000331000000000, -0.0024698200000000 ] - [ -0.0017065100000000, 0.0002229900000000, -0.0026318900000000 ] - [ -0.0022510900000000, 0.0000331000000000, -0.0024698200000000 ] - [ 0.0001719800000000, 0.0000000000000000, -0.0005486400000000 ] - [ -0.0004272200000000, 0.0000000000000000, -0.0008757100000000 ] - [ 0.0001444700000000, -0.0001291400000000, -0.0005065400000000 ] - [ -0.0003570700000000, -0.0000918400000000, -0.0007871700000000 ] - [ 0.0001444700000000, 0.0001291400000000, -0.0005065400000000 ] - [ -0.0003570700000000, 0.0000918400000000, -0.0007871700000000 ] - [ 0.0519476300000000, 0.0000000000000000, -0.0010834900000000 ] - [ -0.0029510600000000, 0.0000000000000000, 0.0013988300000000 ] - [ 0.0005631500000000, 0.0023770100000000, -0.0000348100000000 ] - [ -0.0029583900000000, -0.0001676700000000, 0.0014335200000000 ] - [ 0.0005631500000000, -0.0023770100000000, -0.0000348100000000 ] - [ -0.0029583900000000, 0.0001676700000000, 0.0014335200000000 ] - [ 0.0024996500000000, 0.0001678900000000, -0.0010749800000000 ] - [ 0.0019169100000000, 0.0000398900000000, -0.0017048000000000 ] - [ 0.0024996500000000, -0.0001678900000000, -0.0010749800000000 ] - [ 0.0019169100000000, -0.0000398900000000, -0.0017048000000000 ] - [ 0.0024362500000000, 0.0000000000000000, -0.0012651000000000 ] - [ 0.0026634200000000, 0.0000000000000000, -0.0014373900000000 ] - [ -0.0024702300000000, 0.0000000000000000, -0.0022397900000000 ] - [ -0.0024702100000000, 0.0000000000000000, -0.0006448200000000 ] - [ -0.0026051300000000, 0.0000088400000000, -0.0017549900000000 ] - [ -0.0026054600000000, -0.0002041000000000, -0.0013083200000000 ] - [ -0.0026051300000000, -0.0000088400000000, -0.0017549900000000 ] - [ -0.0026054600000000, 0.0002041000000000, -0.0013083200000000 ] - [ 0.0026624100000000, 0.0000899200000000, 0.0012974300000000 ] - [ 0.0024242700000000, 0.0000244100000000, 0.0014051700000000 ] - [ 0.0026624100000000, -0.0000899200000000, 0.0012974300000000 ] - [ 0.0024242700000000, -0.0000244100000000, 0.0014051700000000 ] - [ 0.0027572400000000, 0.0000000000000000, 0.0014516700000000 ] - [ 0.0024625100000000, 0.0000000000000000, 0.0014102300000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000036000000000, 0.0000629300000000, 0.0007226300000000 ] - [ -0.0001365500000000, 0.0000177900000000, 0.0004784500000000 ] - [ -0.0001850400000000, 0.0000523000000000, 0.0000568400000000 ] - [ -0.0000517600000000, 0.0000073900000000, 0.0003014500000000 ] - [ -0.0000968100000000, -0.0001072500000000, 0.0003850600000000 ] - [ -0.0000970900000000, -0.0000224800000000, 0.0003851700000000 ] - [ 0.0001004800000000, 0.0009763400000000, -0.0003818600000000 ] - [ 0.0000972200000000, 0.0002063900000000, -0.0003860100000000 ] - [ 0.0007094700000000, -0.0005104400000000, 0.0004410600000000 ] - [ -0.0000358400000000, -0.0001006400000000, -0.0002293400000000 ] - [ -0.0005210200000000, -0.0005191900000000, -0.0012229500000000 ] - [ 0.0002242700000000, -0.0001113200000000, -0.0005501900000000 ] - [ -0.0001043000000000, 0.0000983600000000, -0.0003106200000000 ] - [ -0.0000936500000000, 0.0000129100000000, -0.0004068200000000 ] - [ -0.0000840900000000, 0.0000874300000000, -0.0004705100000000 ] - [ -0.0000948900000000, 0.0000026700000000, -0.0003735500000000 ] - [ -0.0000971500000000, -0.0001766600000000, -0.0003843100000000 ] - [ -0.0000970100000000, -0.0000193400000000, -0.0003851300000000 ] - [ 0.0000893000000000, -0.0001364600000000, 0.0005075800000000 ] - [ 0.0000972800000000, 0.0000783200000000, 0.0003851600000000 ] - [ -0.0004427100000000, -0.0011125900000000, 0.0016596600000000 ] - [ 0.0001256500000000, -0.0000347700000000, 0.0004314700000000 ] - [ 0.0006328500000000, -0.0011190200000000, -0.0008764000000000 ] - [ 0.0000630800000000, -0.0000453600000000, 0.0003485600000000 ] - [ 0.0051393000000000, 0.0001642100000000, 0.0016482400000000 ] - [ 0.0051004700000000, 0.0001987300000000, 0.0016987400000000 ] - [ 0.0051590800000000, 0.0001416000000000, 0.0018322000000000 ] - [ 0.0051976900000000, 0.0001735900000000, 0.0017828000000000 ] - [ 0.0051507300000000, -0.0002360000000000, 0.0017445500000000 ] - [ 0.0051508300000000, -0.0003650100000000, 0.0017438900000000 ] - [ -0.0051507400000000, 0.0000614000000000, -0.0017441500000000 ] - [ -0.0051510500000000, 0.0001127800000000, -0.0017443700000000 ] - [ -0.0051465600000000, -0.0000178400000000, -0.0017364600000000 ] - [ -0.0052044000000000, -0.0000443400000000, -0.0017293900000000 ] - [ -0.0051511000000000, -0.0000419300000000, -0.0017446300000000 ] - [ -0.0050935100000000, -0.0000690400000000, -0.0017517000000000 ] - [ 0.0178556700000000, 0.0172759800000000, -0.0085247800000000 ] - [ 0.0051268600000000, 0.0000954100000000, -0.0017713100000000 ] - [ -0.0081967100000000, 0.0181455400000000, 0.0053736300000000 ] - [ 0.0051715500000000, 0.0000711800000000, -0.0017100500000000 ] - [ 0.0051511700000000, -0.0035807600000000, -0.0017446200000000 ] - [ 0.0051509200000000, -0.0001702300000000, -0.0017443800000000 ] - [ -0.0051505300000000, 0.0011703500000000, 0.0017411200000000 ] - [ -0.0051508100000000, 0.0000887500000000, 0.0017447900000000 ] - [ -0.0051160300000000, -0.0006275100000000, 0.0010339700000000 ] - [ -0.0051465800000000, -0.0000191700000000, 0.0016871900000000 ] - [ -0.0051816800000000, -0.0006519800000000, 0.0024496200000000 ] - [ -0.0051516300000000, -0.0000434500000000, 0.0017943000000000 ] - [ 0.0006104100000000, 0.0000809400000000, 0.0011312400000000 ] - [ 0.0006397100000000, 0.0000114600000000, 0.0011308800000000 ] - [ 0.0006797800000000, 0.0000742800000000, 0.0010905500000000 ] - [ 0.0006508500000000, 0.0000047000000000, 0.0010910600000000 ] - [ 0.0006491200000000, -0.0001794200000000, 0.0011051300000000 ] - [ 0.0006489500000000, -0.0000145000000000, 0.0011049300000000 ] - [ -0.0007517500000000, -0.0004619500000000, 0.0010350800000000 ] - [ -0.0006478000000000, 0.0001315200000000, 0.0011053400000000 ] - [ -0.0019505100000000, -0.0011244000000000, 0.0007638200000000 ] - [ -0.0001975800000000, -0.0000532700000000, 0.0011622700000000 ] - [ 0.0006582900000000, -0.0011280500000000, 0.0014566700000000 ] - [ -0.0010934000000000, -0.0000596300000000, 0.0010598800000000 ] - [ 0.0003066300000000, 0.0003924100000000, -0.0007236200000000 ] - [ 0.0007324000000000, 0.0001841600000000, -0.0011858800000000 ] - [ 0.0009844400000000, 0.0003828600000000, -0.0015001000000000 ] - [ 0.0005566300000000, 0.0001779900000000, -0.0010365100000000 ] - [ 0.0006485600000000, -0.0013191400000000, -0.0011039200000000 ] - [ 0.0006486400000000, -0.0001945000000000, -0.0011054500000000 ] - [ -0.0006487000000000, 0.0004122700000000, -0.0011043000000000 ] - [ -0.0006486200000000, 0.0000283100000000, -0.0011051900000000 ] - [ -0.0005357400000000, -0.0002464200000000, -0.0007932000000000 ] - [ -0.0006430700000000, -0.0000088500000000, -0.0010751100000000 ] - [ -0.0007538100000000, -0.0002527200000000, -0.0014286200000000 ] - [ -0.0006473800000000, -0.0000157900000000, -0.0011469400000000 ] - [ 0.0020347800000000, -0.0001152300000000, 0.0024767200000000 ] - [ 0.0019630100000000, -0.0000344200000000, 0.0024195900000000 ] - [ 0.0019242200000000, -0.0000769600000000, 0.0023571600000000 ] - [ 0.0019958300000000, 0.0000033400000000, 0.0024146800000000 ] - [ 0.0019694700000000, 0.0001681700000000, 0.0024176500000000 ] - [ 0.0019696300000000, 0.0000319700000000, 0.0024177500000000 ] - [ 0.0014639200000000, 0.0002620400000000, 0.0047490800000000 ] - [ 0.0001209400000000, -0.0000646600000000, 0.0007275400000000 ] - [ -0.0012214400000000, 0.0002968200000000, -0.0033794600000000 ] - [ 0.0001407800000000, -0.0000430500000000, 0.0006697500000000 ] - [ 0.0001303900000000, 0.0010407200000000, 0.0007020400000000 ] - [ 0.0001315400000000, 0.0001089400000000, 0.0007011400000000 ] - [ -0.0001315700000000, -0.0002497900000000, 0.0007013700000000 ] - [ -0.0001314000000000, -0.0000918200000000, 0.0007011900000000 ] - [ -0.0001908300000000, 0.0001219200000000, 0.0007926600000000 ] - [ -0.0000692200000000, 0.0000347200000000, 0.0007120800000000 ] - [ -0.0000703100000000, 0.0001424100000000, 0.0006044300000000 ] - [ -0.0001930300000000, 0.0000567000000000, 0.0006853700000000 ] - [ -0.0040386600000000, 0.0014749100000000, 0.0016024500000000 ] - [ 0.0003903300000000, -0.0002273700000000, -0.0006124500000000 ] - [ 0.0043537300000000, 0.0015169400000000, -0.0030278100000000 ] - [ -0.0001290600000000, -0.0002039200000000, -0.0007847800000000 ] - [ 0.0001320900000000, 0.0012128600000000, -0.0007013600000000 ] - [ 0.0001315500000000, 0.0004208900000000, -0.0007011300000000 ] - [ -0.0003312500000000, 0.0000824600000000, -0.0056103800000000 ] - [ 0.0021156400000000, -0.0000752300000000, -0.0024254200000000 ] - [ 0.0043011300000000, 0.0001291800000000, 0.0008037400000000 ] - [ 0.0018429600000000, -0.0000371500000000, -0.0024085800000000 ] - [ 0.0019682700000000, 0.0009537900000000, -0.0024171300000000 ] - [ 0.0019700400000000, 0.0001107200000000, -0.0024178000000000 ] - [ -0.0019769600000000, -0.0048378400000000, 0.0024215200000000 ] - [ -0.0019707800000000, 0.0002244000000000, 0.0024160200000000 ] - [ -0.0039623500000000, 0.0021452600000000, 0.0037471800000000 ] - [ -0.0015805300000000, -0.0000335100000000, 0.0025225100000000 ] - [ 0.0000074200000000, 0.0021812000000000, 0.0010849000000000 ] - [ -0.0023772100000000, 0.0000049500000000, 0.0023111800000000 ] - [ -0.0019681300000000, 0.0001805700000000, -0.0024172400000000 ] - [ -0.0019697300000000, -0.0000493700000000, -0.0024177700000000 ] - [ -0.0018786200000000, -0.0000258800000000, -0.0027736700000000 ] - [ -0.0019905500000000, 0.0000051800000000, -0.0024340000000000 ] - [ -0.0020799500000000, 0.0000126900000000, -0.0020613000000000 ] - [ -0.0019683900000000, 0.0000427900000000, -0.0023996700000000 ] - [ -0.0001311600000000, -0.0001276000000000, -0.0007008100000000 ] - [ -0.0001314000000000, -0.0000340100000000, -0.0007011300000000 ] - [ -0.0001183400000000, 0.0000466400000000, -0.0005357600000000 ] - [ -0.0001398500000000, 0.0000061500000000, -0.0006864900000000 ] - [ -0.0001438300000000, 0.0000680000000000, -0.0008619700000000 ] - [ -0.0001220900000000, 0.0000280200000000, -0.0007106300000000 ] - [ -0.0018563500000000, -0.0446591100000000, 0.0010534100000000 ] - [ -0.0025663600000000, -0.0000758700000000, 0.0014123700000000 ] - [ -0.0002031900000000, 0.0058277600000000, 0.0002487500000000 ] - [ -0.0027417900000000, 0.0000460200000000, 0.0013300500000000 ] - [ -0.0049390400000000, 0.0057838200000000, 0.0025701500000000 ] - [ -0.0023914600000000, 0.0000305600000000, 0.0014848100000000 ] - [ 0.0024072800000000, -0.0003515100000000, -0.0018469000000000 ] - [ 0.0025351000000000, 0.0000242400000000, -0.0014430500000000 ] - [ 0.0027268700000000, -0.0003649100000000, -0.0009686700000000 ] - [ 0.0025990600000000, 0.0000084200000000, -0.0013713800000000 ] - [ 0.0025659700000000, 0.0006909200000000, -0.0014129400000000 ] - [ 0.0025661300000000, 0.0000082600000000, -0.0014124200000000 ] - [ -0.0025660400000000, -0.0000652300000000, -0.0014137600000000 ] - [ -0.0025661700000000, -0.0000652300000000, -0.0014119500000000 ] - [ -0.0027786200000000, 0.0000375500000000, -0.0018624700000000 ] - [ -0.0025660500000000, 0.0000368100000000, -0.0015337500000000 ] - [ -0.0023551700000000, 0.0000215300000000, -0.0009511600000000 ] - [ -0.0025676700000000, 0.0000222100000000, -0.0012811800000000 ] - [ 0.0024850200000000, -0.0000097600000000, 0.0012824400000000 ] - [ 0.0025501300000000, -0.0000014600000000, 0.0013751800000000 ] - [ 0.0026487500000000, -0.0000255100000000, 0.0015324600000000 ] - [ 0.0025837100000000, -0.0000158000000000, 0.0014395200000000 ] - [ 0.0025659100000000, 0.0000454400000000, 0.0014124600000000 ] - [ 0.0025658400000000, 0.0000215100000000, 0.0014124700000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002063000000000, 0.0000410600000000, -0.0003855700000000 ] - [ -0.0000665300000000, 0.0000102800000000, 0.0001715500000000 ] - [ -0.0002063000000000, -0.0000410600000000, -0.0003855700000000 ] - [ -0.0000665300000000, -0.0000102800000000, 0.0001715500000000 ] - [ -0.0001357900000000, 0.0000000000000000, 0.0000704300000000 ] - [ -0.0000551800000000, 0.0000000000000000, 0.0001731800000000 ] - [ -0.0007557400000000, 0.0000000000000000, 0.0003663800000000 ] - [ 0.0003908500000000, 0.0000000000000000, 0.0009282100000000 ] - [ 0.0000639700000000, 0.0002749700000000, 0.0004495600000000 ] - [ 0.0004694600000000, 0.0003341300000000, -0.0000877400000000 ] - [ 0.0000639700000000, -0.0002749700000000, 0.0004495600000000 ] - [ 0.0004694600000000, -0.0003341300000000, -0.0000877400000000 ] - [ -0.0000235300000000, 0.0000951500000000, -0.0009509500000000 ] - [ -0.0001001900000000, 0.0000059500000000, -0.0007843200000000 ] - [ -0.0000235300000000, -0.0000951500000000, -0.0009509500000000 ] - [ -0.0001001900000000, -0.0000059500000000, -0.0007843200000000 ] - [ -0.0000858400000000, 0.0000000000000000, -0.0007236100000000 ] - [ -0.0001013800000000, 0.0000000000000000, -0.0005889900000000 ] - [ -0.0063282400000000, 0.0000000000000000, 0.0318435300000000 ] - [ 0.0000575500000000, 0.0000000000000000, 0.0005893400000000 ] - [ -0.0001396300000000, 0.0009263400000000, 0.0013720200000000 ] - [ 0.0001059500000000, 0.0000147100000000, 0.0005974800000000 ] - [ -0.0001396300000000, -0.0009263400000000, 0.0013720200000000 ] - [ 0.0001059500000000, -0.0000147100000000, 0.0005974800000000 ] - [ 0.0062314700000000, -0.0008484200000000, 0.0015965000000000 ] - [ 0.0049132900000000, -0.0002614900000000, 0.0017584700000000 ] - [ 0.0062314700000000, 0.0008484200000000, 0.0015965000000000 ] - [ 0.0049132900000000, 0.0002614900000000, 0.0017584700000000 ] - [ 0.0051962200000000, 0.0000000000000000, 0.0018009000000000 ] - [ 0.0051218200000000, 0.0000000000000000, 0.0018355000000000 ] - [ -0.0052419100000000, 0.0000000000000000, -0.0019621700000000 ] - [ -0.0047941200000000, 0.0000000000000000, -0.0023604100000000 ] - [ -0.0051882400000000, 0.0000556500000000, -0.0019084100000000 ] - [ -0.0051542800000000, 0.0000890400000000, -0.0020045800000000 ] - [ -0.0051882400000000, -0.0000556500000000, -0.0019084100000000 ] - [ -0.0051542800000000, -0.0000890400000000, -0.0020045800000000 ] - [ 0.0005008600000000, -0.0049733100000000, 0.0002689300000000 ] - [ 0.0050254600000000, 0.0001405300000000, -0.0015210200000000 ] - [ 0.0005008600000000, 0.0049733100000000, 0.0002689300000000 ] - [ 0.0050254600000000, -0.0001405300000000, -0.0015210200000000 ] - [ 0.0050205300000000, 0.0000000000000000, -0.0014080600000000 ] - [ 0.0051864600000000, 0.0000000000000000, -0.0015870200000000 ] - [ -0.0045643200000000, 0.0000000000000000, 0.0010389500000000 ] - [ -0.0054372800000000, 0.0000000000000000, 0.0015097000000000 ] - [ -0.0049884500000000, -0.0001865200000000, 0.0015064200000000 ] - [ -0.0052600600000000, -0.0000743300000000, 0.0017050200000000 ] - [ -0.0049884500000000, 0.0001865200000000, 0.0015064200000000 ] - [ -0.0052600600000000, 0.0000743300000000, 0.0017050200000000 ] - [ 0.0004860500000000, -0.0006049600000000, 0.0002998300000000 ] - [ 0.0006852300000000, 0.0000055600000000, 0.0009423900000000 ] - [ 0.0004860500000000, 0.0006049600000000, 0.0002998300000000 ] - [ 0.0006852300000000, -0.0000055600000000, 0.0009423900000000 ] - [ 0.0006330300000000, 0.0000000000000000, 0.0008554500000000 ] - [ 0.0006875900000000, 0.0000000000000000, 0.0009350400000000 ] - [ 0.0121148100000000, 0.0000000000000000, 0.0070695900000000 ] - [ -0.0006241000000000, 0.0000000000000000, 0.0013719700000000 ] - [ -0.0010640900000000, -0.0004521700000000, 0.0016821800000000 ] - [ -0.0005164600000000, 0.0000054700000000, 0.0013179000000000 ] - [ -0.0010640900000000, 0.0004521700000000, 0.0016821800000000 ] - [ -0.0005164600000000, -0.0000054700000000, 0.0013179000000000 ] - [ 0.0009593100000000, 0.0000575000000000, -0.0012892500000000 ] - [ 0.0001073500000000, 0.0003040500000000, -0.0015792200000000 ] - [ 0.0009593100000000, -0.0000575000000000, -0.0012892500000000 ] - [ 0.0001073500000000, -0.0003040500000000, -0.0015792200000000 ] - [ 0.0008924700000000, 0.0000000000000000, -0.0014250300000000 ] - [ 0.0005259900000000, 0.0000000000000000, -0.0011960700000000 ] - [ -0.0024121200000000, 0.0000000000000000, -0.0019877600000000 ] - [ -0.0003855600000000, 0.0000000000000000, -0.0010646400000000 ] - [ -0.0008481400000000, 0.0003023500000000, -0.0012451200000000 ] - [ -0.0003550200000000, 0.0000945400000000, -0.0011721000000000 ] - [ -0.0008481400000000, -0.0003023500000000, -0.0012451200000000 ] - [ -0.0003550200000000, -0.0000945400000000, -0.0011721000000000 ] - [ 0.0022692800000000, 0.0002897300000000, 0.0029461700000000 ] - [ 0.0017397000000000, 0.0000045900000000, 0.0027985400000000 ] - [ 0.0022692800000000, -0.0002897300000000, 0.0029461700000000 ] - [ 0.0017397000000000, -0.0000045900000000, 0.0027985400000000 ] - [ 0.0020853900000000, 0.0000000000000000, 0.0026646100000000 ] - [ 0.0019411400000000, 0.0000000000000000, 0.0026564200000000 ] - [ 0.0041373300000000, 0.0046589800000000, 0.0010149200000000 ] - [ -0.0000706500000000, -0.0000489600000000, 0.0005302300000000 ] - [ 0.0041373300000000, -0.0046589800000000, 0.0010149200000000 ] - [ -0.0000706500000000, 0.0000489600000000, 0.0005302300000000 ] - [ 0.0002446600000000, 0.0000000000000000, 0.0002784400000000 ] - [ -0.0000632100000000, 0.0000000000000000, 0.0005703800000000 ] - [ -0.0003397300000000, 0.0000000000000000, 0.0009544700000000 ] - [ -0.0001172400000000, 0.0000000000000000, 0.0011820200000000 ] - [ -0.0002672300000000, 0.0000090800000000, 0.0009134200000000 ] - [ -0.0001623000000000, 0.0000975400000000, 0.0009596900000000 ] - [ -0.0002672300000000, -0.0000090800000000, 0.0009134200000000 ] - [ -0.0001623000000000, -0.0000975400000000, 0.0009596900000000 ] - [ -0.0039128500000000, 0.0031248200000000, -0.0033590500000000 ] - [ 0.0002976900000000, 0.0001975900000000, -0.0009130700000000 ] - [ -0.0039128500000000, -0.0031248200000000, -0.0033590500000000 ] - [ 0.0002976900000000, -0.0001975900000000, -0.0009130700000000 ] - [ 0.0003005900000000, 0.0000000000000000, -0.0012890600000000 ] - [ 0.0001376900000000, 0.0000000000000000, -0.0008242400000000 ] - [ 0.0030472900000000, -0.0031436300000000, 0.0010590100000000 ] - [ 0.0019348400000000, -0.0000245800000000, -0.0024949200000000 ] - [ 0.0030472900000000, 0.0031436300000000, 0.0010590100000000 ] - [ 0.0019348400000000, 0.0000245800000000, -0.0024949200000000 ] - [ 0.0020975100000000, 0.0000000000000000, -0.0021254600000000 ] - [ 0.0018692300000000, 0.0000000000000000, -0.0024768900000000 ] - [ -0.0049165700000000, 0.0000000000000000, 0.0025424400000000 ] - [ -0.0000771000000000, 0.0000000000000000, 0.0025753700000000 ] - [ -0.0025906600000000, 0.0002822500000000, 0.0027446000000000 ] - [ -0.0017260000000000, 0.0001576800000000, 0.0021218600000000 ] - [ -0.0025906600000000, -0.0002822500000000, 0.0027446000000000 ] - [ -0.0017260000000000, -0.0001576800000000, 0.0021218600000000 ] - [ -0.0023135600000000, 0.0000000000000000, 0.0017131200000000 ] - [ -0.0019331200000000, 0.0000000000000000, -0.0023176000000000 ] - [ -0.0019150200000000, -0.0005017000000000, -0.0021738800000000 ] - [ -0.0020235800000000, -0.0000576600000000, -0.0023395100000000 ] - [ -0.0019150200000000, 0.0005017000000000, -0.0021738800000000 ] - [ -0.0020235800000000, 0.0000576600000000, -0.0023395100000000 ] - [ 0.0000631100000000, 0.0000000000000000, 0.0000482000000000 ] - [ -0.0000727800000000, 0.0000000000000000, -0.0004986900000000 ] - [ -0.0000105300000000, -0.0000468800000000, -0.0003044500000000 ] - [ -0.0000924600000000, 0.0000095400000000, -0.0005494700000000 ] - [ -0.0000105300000000, 0.0000468800000000, -0.0003044500000000 ] - [ -0.0000924600000000, -0.0000095400000000, -0.0005494700000000 ] - [ -0.0008663100000000, 0.0000000000000000, -0.0469863000000000 ] - [ -0.0025518600000000, 0.0000000000000000, 0.0012393900000000 ] - [ -0.0011257900000000, 0.0011670600000000, 0.0004049400000000 ] - [ -0.0025928100000000, 0.0000851100000000, 0.0012327300000000 ] - [ -0.0011257900000000, -0.0011670600000000, 0.0004049400000000 ] - [ -0.0025928100000000, -0.0000851100000000, 0.0012327300000000 ] - [ 0.0022326900000000, -0.0004349100000000, -0.0010784800000000 ] - [ 0.0028632000000000, -0.0000281100000000, -0.0011421800000000 ] - [ 0.0022326900000000, 0.0004349100000000, -0.0010784800000000 ] - [ 0.0028632000000000, 0.0000281100000000, -0.0011421800000000 ] - [ 0.0024179200000000, 0.0000000000000000, -0.0011509600000000 ] - [ 0.0025908200000000, 0.0000000000000000, -0.0012946400000000 ] - [ -0.0017981000000000, 0.0000000000000000, -0.0016554600000000 ] - [ -0.0033907500000000, 0.0000000000000000, -0.0016551900000000 ] - [ -0.0024675300000000, -0.0001187000000000, -0.0016599500000000 ] - [ -0.0029149800000000, -0.0004483700000000, -0.0016597100000000 ] - [ -0.0024675300000000, 0.0001187000000000, -0.0016599500000000 ] - [ -0.0029149800000000, 0.0004483700000000, -0.0016597100000000 ] - [ 0.0024569800000000, 0.0001332200000000, 0.0019367400000000 ] - [ 0.0025648300000000, 0.0000393600000000, 0.0015643000000000 ] - [ 0.0024569800000000, -0.0001332200000000, 0.0019367400000000 ] - [ 0.0025648300000000, -0.0000393600000000, 0.0015643000000000 ] - [ 0.0026051100000000, 0.0000000000000000, 0.0016258700000000 ] - [ 0.0025635800000000, 0.0000000000000000, 0.0015545100000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000160800000000, -0.0000299200000000, 0.0011640000000000 ] - [ -0.0001215000000000, 0.0000001300000000, 0.0006079000000000 ] - [ 0.0000160800000000, 0.0000299200000000, 0.0011640000000000 ] - [ -0.0001215000000000, -0.0000001300000000, 0.0006079000000000 ] - [ -0.0000588200000000, 0.0000000000000000, 0.0006988800000000 ] - [ -0.0001385600000000, 0.0000000000000000, 0.0005964800000000 ] - [ 0.0009540200000000, 0.0000000000000000, -0.0011340800000000 ] - [ -0.0002019400000000, 0.0000000000000000, -0.0016915400000000 ] - [ 0.0001281500000000, -0.0002666400000000, -0.0012269900000000 ] - [ -0.0002815600000000, -0.0003245600000000, -0.0006909600000000 ] - [ 0.0001281500000000, 0.0002666400000000, -0.0012269900000000 ] - [ -0.0002815600000000, 0.0003245600000000, -0.0006909600000000 ] - [ -0.0001638900000000, -0.0000832100000000, 0.0001683400000000 ] - [ -0.0000881700000000, 0.0000042700000000, 0.0000059800000000 ] - [ -0.0001638900000000, 0.0000832100000000, 0.0001683400000000 ] - [ -0.0000881700000000, -0.0000042700000000, 0.0000059800000000 ] - [ -0.0001083700000000, 0.0000000000000000, -0.0000452500000000 ] - [ -0.0000926100000000, 0.0000000000000000, -0.0001798500000000 ] - [ 0.0069893800000000, 0.0000000000000000, -0.0328190300000000 ] - [ 0.0001369900000000, 0.0000000000000000, 0.0001798700000000 ] - [ 0.0003274400000000, -0.0009181000000000, -0.0005904000000000 ] - [ 0.0000832600000000, -0.0000043700000000, 0.0001818100000000 ] - [ 0.0003274400000000, 0.0009181000000000, -0.0005904000000000 ] - [ 0.0000832600000000, 0.0000043700000000, 0.0001818100000000 ] - [ 0.0040677500000000, 0.0008704500000000, 0.0018854100000000 ] - [ 0.0053839800000000, 0.0002850900000000, 0.0017226900000000 ] - [ 0.0040677500000000, -0.0008704500000000, 0.0018854100000000 ] - [ 0.0053839800000000, -0.0002850900000000, 0.0017226900000000 ] - [ 0.0051052300000000, 0.0000000000000000, 0.0016875900000000 ] - [ 0.0051804500000000, 0.0000000000000000, 0.0016534400000000 ] - [ -0.0050593800000000, 0.0000000000000000, -0.0015257900000000 ] - [ -0.0055061000000000, 0.0000000000000000, -0.0011287400000000 ] - [ -0.0051086500000000, -0.0000315500000000, -0.0015720900000000 ] - [ -0.0051433200000000, -0.0000645700000000, -0.0014760000000000 ] - [ -0.0051086500000000, 0.0000315500000000, -0.0015720900000000 ] - [ -0.0051433200000000, 0.0000645700000000, -0.0014760000000000 ] - [ 0.0098009200000000, 0.0050638100000000, -0.0038042700000000 ] - [ 0.0052726800000000, -0.0001164000000000, -0.0019604000000000 ] - [ 0.0098009200000000, -0.0050638100000000, -0.0038042700000000 ] - [ 0.0052726800000000, 0.0001164000000000, -0.0019604000000000 ] - [ 0.0052803700000000, 0.0000000000000000, -0.0020803600000000 ] - [ 0.0051157500000000, 0.0000000000000000, -0.0019015900000000 ] - [ -0.0057347400000000, 0.0000000000000000, 0.0024467500000000 ] - [ -0.0048634200000000, 0.0000000000000000, 0.0019791000000000 ] - [ -0.0053081200000000, 0.0002093100000000, 0.0019764100000000 ] - [ -0.0050365100000000, 0.0000990300000000, 0.0017759700000000 ] - [ -0.0053081200000000, -0.0002093100000000, 0.0019764100000000 ] - [ -0.0050365100000000, -0.0000990300000000, 0.0017759700000000 ] - [ 0.0008021900000000, 0.0006096800000000, 0.0019209400000000 ] - [ 0.0006053700000000, 0.0000012300000000, 0.0012806600000000 ] - [ 0.0008021900000000, -0.0006096800000000, 0.0019209400000000 ] - [ 0.0006053700000000, -0.0000012300000000, 0.0012806600000000 ] - [ 0.0006643300000000, 0.0000000000000000, 0.0013553800000000 ] - [ 0.0006104800000000, 0.0000000000000000, 0.0012757700000000 ] - [ -0.0132284600000000, 0.0000000000000000, -0.0048915600000000 ] - [ -0.0006731000000000, 0.0000000000000000, 0.0008385000000000 ] - [ -0.0002250800000000, 0.0004597800000000, 0.0005408500000000 ] - [ -0.0007735500000000, 0.0000010800000000, 0.0009046400000000 ] - [ -0.0002250800000000, -0.0004597800000000, 0.0005408500000000 ] - [ -0.0007735500000000, -0.0000010800000000, 0.0009046400000000 ] - [ 0.0003326200000000, -0.0000491700000000, -0.0009320800000000 ] - [ 0.0011850400000000, -0.0002996900000000, -0.0006414100000000 ] - [ 0.0003326200000000, 0.0000491700000000, -0.0009320800000000 ] - [ 0.0011850400000000, 0.0002996900000000, -0.0006414100000000 ] - [ 0.0004043400000000, 0.0000000000000000, -0.0007828200000000 ] - [ 0.0007715700000000, 0.0000000000000000, -0.0010146400000000 ] - [ 0.0011133000000000, 0.0000000000000000, -0.0002189300000000 ] - [ -0.0009120700000000, 0.0000000000000000, -0.0011447000000000 ] - [ -0.0004420500000000, -0.0002949300000000, -0.0009772100000000 ] - [ -0.0009340700000000, -0.0000875700000000, -0.0010504400000000 ] - [ -0.0004420500000000, 0.0002949300000000, -0.0009772100000000 ] - [ -0.0009340700000000, 0.0000875700000000, -0.0010504400000000 ] - [ 0.0016902800000000, -0.0003272200000000, 0.0018882500000000 ] - [ 0.0022183400000000, -0.0000424000000000, 0.0020346700000000 ] - [ 0.0016902800000000, 0.0003272200000000, 0.0018882500000000 ] - [ 0.0022183400000000, 0.0000424000000000, 0.0020346700000000 ] - [ 0.0018540200000000, 0.0000000000000000, 0.0021702000000000 ] - [ 0.0019977200000000, 0.0000000000000000, 0.0021785200000000 ] - [ -0.0039060200000000, -0.0047163500000000, 0.0003484400000000 ] - [ 0.0003328600000000, 0.0000262200000000, 0.0008670800000000 ] - [ -0.0039060200000000, 0.0047163500000000, 0.0003484400000000 ] - [ 0.0003328600000000, -0.0000262200000000, 0.0008670800000000 ] - [ 0.0000178900000000, 0.0000000000000000, 0.0011237200000000 ] - [ 0.0003258000000000, 0.0000000000000000, 0.0008319800000000 ] - [ 0.0000746700000000, 0.0000000000000000, 0.0004486000000000 ] - [ -0.0001445100000000, 0.0000000000000000, 0.0002197500000000 ] - [ 0.0000045000000000, -0.0000297900000000, 0.0004837000000000 ] - [ -0.0000991100000000, -0.0001200400000000, 0.0004371100000000 ] - [ 0.0000045000000000, 0.0000297900000000, 0.0004837000000000 ] - [ -0.0000991100000000, 0.0001200400000000, 0.0004371100000000 ] - [ 0.0041926700000000, -0.0031615600000000, 0.0019641500000000 ] - [ -0.0000367200000000, -0.0002197100000000, -0.0004840600000000 ] - [ 0.0041926700000000, 0.0031615600000000, 0.0019641500000000 ] - [ -0.0000367200000000, 0.0002197100000000, -0.0004840600000000 ] - [ -0.0000364000000000, 0.0000000000000000, -0.0001126500000000 ] - [ 0.0001238300000000, 0.0000000000000000, -0.0005776700000000 ] - [ 0.0009472800000000, 0.0030563300000000, -0.0058502700000000 ] - [ 0.0020229200000000, -0.0000133000000000, -0.0023381100000000 ] - [ 0.0009472800000000, -0.0030563300000000, -0.0058502700000000 ] - [ 0.0020229200000000, 0.0000133000000000, -0.0023381100000000 ] - [ 0.0018426700000000, 0.0000000000000000, -0.0027089000000000 ] - [ 0.0020696100000000, 0.0000000000000000, -0.0023575800000000 ] - [ 0.0009492100000000, 0.0000000000000000, 0.0022889300000000 ] - [ -0.0038685100000000, 0.0000000000000000, 0.0022664100000000 ] - [ -0.0013664100000000, -0.0003209900000000, 0.0020895100000000 ] - [ -0.0022331900000000, -0.0001962900000000, 0.0027127000000000 ] - [ -0.0013664100000000, 0.0003209900000000, 0.0020895100000000 ] - [ -0.0022331900000000, 0.0001962900000000, 0.0027127000000000 ] - [ -0.0016264200000000, 0.0000000000000000, -0.0065399900000000 ] - [ -0.0020059700000000, 0.0000000000000000, -0.0025173900000000 ] - [ -0.0020433600000000, 0.0004621400000000, -0.0026598900000000 ] - [ -0.0019358000000000, 0.0000197500000000, -0.0024938500000000 ] - [ -0.0020433600000000, -0.0004621400000000, -0.0026598900000000 ] - [ -0.0019358000000000, -0.0000197500000000, -0.0024938500000000 ] - [ -0.0003227000000000, 0.0000000000000000, -0.0014445400000000 ] - [ -0.0001906100000000, 0.0000000000000000, -0.0009039700000000 ] - [ -0.0002503900000000, 0.0000254500000000, -0.0010924000000000 ] - [ -0.0001699500000000, -0.0000315400000000, -0.0008481400000000 ] - [ -0.0002503900000000, -0.0000254500000000, -0.0010924000000000 ] - [ -0.0001699500000000, 0.0000315400000000, -0.0008481400000000 ] - [ -0.0049612900000000, 0.0000000000000000, 0.0516166000000000 ] - [ -0.0025802300000000, 0.0000000000000000, 0.0015861100000000 ] - [ -0.0040019800000000, -0.0011544100000000, 0.0024144300000000 ] - [ -0.0025410700000000, -0.0000696700000000, 0.0015824900000000 ] - [ -0.0040019800000000, 0.0011544100000000, 0.0024144300000000 ] - [ -0.0025410700000000, 0.0000696700000000, 0.0015824900000000 ] - [ 0.0028975600000000, 0.0004433600000000, -0.0017358400000000 ] - [ 0.0022689300000000, 0.0000435200000000, -0.0016729400000000 ] - [ 0.0028975600000000, -0.0004433600000000, -0.0017358400000000 ] - [ 0.0022689300000000, -0.0000435200000000, -0.0016729400000000 ] - [ 0.0027130200000000, 0.0000000000000000, -0.0016742300000000 ] - [ 0.0025410200000000, 0.0000000000000000, -0.0015304900000000 ] - [ -0.0033335300000000, 0.0000000000000000, -0.0011713800000000 ] - [ -0.0017441600000000, 0.0000000000000000, -0.0011710400000000 ] - [ -0.0026658100000000, 0.0001338700000000, -0.0011559000000000 ] - [ -0.0022193000000000, 0.0004628900000000, -0.0011556500000000 ] - [ -0.0026658100000000, -0.0001338700000000, -0.0011559000000000 ] - [ -0.0022193000000000, -0.0004628900000000, -0.0011556500000000 ] - [ 0.0026766400000000, -0.0001168100000000, 0.0008789500000000 ] - [ 0.0025687800000000, -0.0000249600000000, 0.0012504300000000 ] - [ 0.0026766400000000, 0.0001168100000000, 0.0008789500000000 ] - [ 0.0025687800000000, 0.0000249600000000, 0.0012504300000000 ] - [ 0.0025270300000000, 0.0000000000000000, 0.0011993300000000 ] - [ 0.0025678800000000, 0.0000000000000000, 0.0012704300000000 ]