# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/332f6930-5e35-47cb-8e15-0d4c90808670/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 Lu2SiO5 / C2/c (15) / materials id 16969](https://mdr.nims.go.jp/datasets/91bbc079-90b4-42dc-995c-f660b5808aca) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.094574360000000, -3.283372735000000, 0.014900780000000 ] # a - [ 7.094574360000000, 3.283372735000000, 0.014900780000000 ] # b - [ -5.396148900000000, 0.000000000000000, 8.528278630000001 ] # c points: - symbol: O # 1 coordinates: [ 0.384338800000000, 0.579767740000000, 0.101827280000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.420232260000000, 0.615661200000000, 0.398172720000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.615661200000000, 0.420232260000000, 0.898172720000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.579767740000000, 0.384338800000000, 0.601827280000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.130634030000000, 0.274612510000000, 0.941197880000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.725387490000000, 0.869365970000000, 0.558802120000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.869365970000000, 0.725387490000000, 0.058802120000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.274612510000000, 0.130634030000000, 0.441197880000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.450769780000000, 0.149536640000000, 0.824273670000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.850463360000000, 0.549230220000000, 0.675726330000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.549230220000000, 0.850463360000000, 0.175726330000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.149536640000000, 0.450769780000000, 0.324273670000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.082467040000000, 0.092547140000000, 0.135843230000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.907452860000000, 0.917532960000000, 0.364156770000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.917532960000000, 0.907452860000000, 0.864156770000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.092547140000000, 0.082467040000000, 0.635843230000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.825726720000000, 0.411716260000000, 0.323060730000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.588283740000000, 0.174273280000000, 0.176939270000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.174273280000000, 0.588283740000000, 0.676939270000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.411716260000000, 0.825726720000000, 0.823060730000000 ] mass: 15.999400 - symbol: Si # 21 coordinates: [ 0.275786940000000, 0.090293660000000, 0.807672570000000 ] mass: 28.085500 - symbol: Si # 22 coordinates: [ 0.909706340000000, 0.724213060000000, 0.692327430000000 ] mass: 28.085500 - symbol: Si # 23 coordinates: [ 0.724213060000000, 0.909706340000000, 0.192327430000000 ] mass: 28.085500 - symbol: Si # 24 coordinates: [ 0.090293660000000, 0.275786940000000, 0.307672570000000 ] mass: 28.085500 - symbol: Lu # 25 coordinates: [ 0.235123510000000, 0.486151850000000, 0.163961150000000 ] mass: 174.966800 - symbol: Lu # 26 coordinates: [ 0.513848150000000, 0.764876490000000, 0.336038850000000 ] mass: 174.966800 - symbol: Lu # 27 coordinates: [ 0.764876490000000, 0.513848150000000, 0.836038850000000 ] mass: 174.966800 - symbol: Lu # 28 coordinates: [ 0.486151850000000, 0.235123510000000, 0.663961150000000 ] mass: 174.966800 - symbol: Lu # 29 coordinates: [ 0.221172120000000, 0.706667200000000, 0.534360730000000 ] mass: 174.966800 - symbol: Lu # 30 coordinates: [ 0.293332800000000, 0.778827880000000, 0.965639270000000 ] mass: 174.966800 - symbol: Lu # 31 coordinates: [ 0.778827880000000, 0.293332800000000, 0.465639270000000 ] mass: 174.966800 - symbol: Lu # 32 coordinates: [ 0.706667200000000, 0.221172120000000, 0.034360730000000 ] mass: 174.966800 reciprocal_lattice: # without 2pi - [ 0.070382856926020, -0.152282436492852, 0.044533767300260 ] # a* - [ 0.070382856926020, 0.152282436492852, 0.044533767300260 ] # b* - [ -0.000245948687262, 0.000000000000000, 0.117101336341045 ] # c*unit_cell: lattice: - [ 14.189148720000000, 0.000000000000000, 0.029801560000000 ] # a - [ 0.000000000000000, 6.566745470000000, 0.000000000000000 ] # b - [ -5.396148900000000, 0.000000000000000, 8.528278630000001 ] # c points: - symbol: O # 1 coordinates: [ 0.982053270000000, 0.597714470000000, 0.101827280000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.017946730000000, 0.597714470000000, 0.398172720000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.017946730000000, 0.402285530000000, 0.898172720000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.982053270000000, 0.402285530000000, 0.601827280000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.202623270000000, 0.071989240000000, 0.941197880000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.797376730000000, 0.071989240000000, 0.558802120000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.797376730000000, 0.928010760000000, 0.058802120000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.202623270000000, 0.928010760000000, 0.441197880000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.800153210000000, 0.349383430000000, 0.824273670000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.699846790000000, 0.849383430000000, 0.675726330000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.199846790000000, 0.650616570000000, 0.175726330000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.300153210000000, 0.150616570000000, 0.324273670000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.087507090000000, 0.005040050000000, 0.135843230000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.412492910000000, 0.505040050000000, 0.364156770000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.912492910000000, 0.994959950000000, 0.864156770000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.587507090000000, 0.494959950000000, 0.635843230000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.118721490000000, 0.292994770000000, 0.323060730000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.881278510000000, 0.292994770000000, 0.176939270000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.881278510000000, 0.707005230000000, 0.676939270000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.118721490000000, 0.707005230000000, 0.823060730000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.482053270000000, 0.097714470000000, 0.101827280000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 22 coordinates: [ 0.517946730000000, 0.097714470000000, 0.398172720000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 23 coordinates: [ 0.517946730000000, 0.902285530000000, 0.898172720000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 24 coordinates: [ 0.482053270000000, 0.902285530000000, 0.601827280000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 25 coordinates: [ 0.702623270000000, 0.571989240000000, 0.941197880000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 26 coordinates: [ 0.297376730000000, 0.571989240000000, 0.558802120000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 27 coordinates: [ 0.297376730000000, 0.428010760000000, 0.058802120000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 28 coordinates: [ 0.702623270000000, 0.428010760000000, 0.441197880000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 29 coordinates: [ 0.300153210000000, 0.849383430000000, 0.824273670000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 30 coordinates: [ 0.199846790000000, 0.349383430000000, 0.675726330000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 31 coordinates: [ 0.699846790000000, 0.150616570000000, 0.175726330000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 32 coordinates: [ 0.800153210000000, 0.650616570000000, 0.324273670000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 33 coordinates: [ 0.587507090000000, 0.505040050000000, 0.135843230000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 34 coordinates: [ 0.912492910000000, 0.005040050000000, 0.364156770000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 35 coordinates: [ 0.412492910000000, 0.494959950000000, 0.864156770000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 36 coordinates: [ 0.087507090000000, 0.994959950000000, 0.635843230000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 37 coordinates: [ 0.618721490000000, 0.792994770000000, 0.323060730000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 38 coordinates: [ 0.381278510000000, 0.792994770000000, 0.176939270000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 39 coordinates: [ 0.381278510000000, 0.207005230000000, 0.676939270000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 40 coordinates: [ 0.618721490000000, 0.207005230000000, 0.823060730000000 ] mass: 15.999400 reduced_to: 20 - symbol: Si # 41 coordinates: [ 0.683040300000000, 0.407253360000000, 0.807672570000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 42 coordinates: [ 0.816959700000000, 0.907253360000000, 0.692327430000000 ] mass: 28.085500 reduced_to: 42 - symbol: Si # 43 coordinates: [ 0.316959700000000, 0.592746640000000, 0.192327430000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 44 coordinates: [ 0.183040300000000, 0.092746640000000, 0.307672570000000 ] mass: 28.085500 reduced_to: 44 - symbol: Si # 45 coordinates: [ 0.183040300000000, 0.907253360000000, 0.807672570000000 ] mass: 28.085500 reduced_to: 41 - symbol: Si # 46 coordinates: [ 0.316959700000000, 0.407253360000000, 0.692327430000000 ] mass: 28.085500 reduced_to: 42 - symbol: Si # 47 coordinates: [ 0.816959700000000, 0.092746640000000, 0.192327430000000 ] mass: 28.085500 reduced_to: 43 - symbol: Si # 48 coordinates: [ 0.683040300000000, 0.592746640000000, 0.307672570000000 ] mass: 28.085500 reduced_to: 44 - symbol: Lu # 49 coordinates: [ 0.860637680000000, 0.625514170000000, 0.163961150000000 ] mass: 174.966800 reduced_to: 49 - symbol: Lu # 50 coordinates: [ 0.139362320000000, 0.625514170000000, 0.336038850000000 ] mass: 174.966800 reduced_to: 50 - symbol: Lu # 51 coordinates: [ 0.139362320000000, 0.374485830000000, 0.836038850000000 ] mass: 174.966800 reduced_to: 51 - symbol: Lu # 52 coordinates: [ 0.860637680000000, 0.374485830000000, 0.663961150000000 ] mass: 174.966800 reduced_to: 52 - symbol: Lu # 53 coordinates: [ 0.963919660000000, 0.742747540000000, 0.534360730000000 ] mass: 174.966800 reduced_to: 53 - symbol: Lu # 54 coordinates: [ 0.036080340000000, 0.742747540000000, 0.965639270000000 ] mass: 174.966800 reduced_to: 54 - symbol: Lu # 55 coordinates: [ 0.036080340000000, 0.257252460000000, 0.465639270000000 ] mass: 174.966800 reduced_to: 55 - symbol: Lu # 56 coordinates: [ 0.963919660000000, 0.257252460000000, 0.034360730000000 ] mass: 174.966800 reduced_to: 56 - symbol: Lu # 57 coordinates: [ 0.360637680000000, 0.125514170000000, 0.163961150000000 ] mass: 174.966800 reduced_to: 49 - symbol: Lu # 58 coordinates: [ 0.639362320000000, 0.125514170000000, 0.336038850000000 ] mass: 174.966800 reduced_to: 50 - symbol: Lu # 59 coordinates: [ 0.639362320000000, 0.874485830000000, 0.836038850000000 ] mass: 174.966800 reduced_to: 51 - symbol: Lu # 60 coordinates: [ 0.360637680000000, 0.874485830000000, 0.663961150000000 ] mass: 174.966800 reduced_to: 52 - symbol: Lu # 61 coordinates: [ 0.463919660000000, 0.242747540000000, 0.534360730000000 ] mass: 174.966800 reduced_to: 53 - symbol: Lu # 62 coordinates: [ 0.536080340000000, 0.242747540000000, 0.965639270000000 ] mass: 174.966800 reduced_to: 54 - symbol: Lu # 63 coordinates: [ 0.536080340000000, 0.757252460000000, 0.465639270000000 ] mass: 174.966800 reduced_to: 55 - symbol: Lu # 64 coordinates: [ 0.463919660000000, 0.757252460000000, 0.034360730000000 ] mass: 174.966800 reduced_to: 56supercell: lattice: - [ 14.189148720000000, 0.000000000000000, 0.029801560000000 ] # a - [ 0.000000000000000, 13.133490940000000, 0.000000000000000 ] # b - [ -5.396148900000000, 0.000000000000000, 8.528278630000001 ] # c points: - symbol: O # 1 coordinates: [ 0.982053270000000, 0.298857235000000, 0.101827280000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.982053270000000, 0.798857235000000, 0.101827280000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.017946730000000, 0.298857235000000, 0.398172720000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.017946730000000, 0.798857235000000, 0.398172720000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.017946730000000, 0.201142765000000, 0.898172720000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.017946730000000, 0.701142765000000, 0.898172720000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.982053270000000, 0.201142765000000, 0.601827280000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.982053270000000, 0.701142765000000, 0.601827280000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.202623270000000, 0.035994620000000, 0.941197880000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.202623270000000, 0.535994620000000, 0.941197880000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.797376730000000, 0.035994620000000, 0.558802120000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.797376730000000, 0.535994620000000, 0.558802120000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.797376730000000, 0.464005380000000, 0.058802120000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.797376730000000, 0.964005380000000, 0.058802120000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.202623270000000, 0.464005380000000, 0.441197880000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.202623270000000, 0.964005380000000, 0.441197880000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.800153210000000, 0.174691715000000, 0.824273670000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.800153210000000, 0.674691715000000, 0.824273670000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.699846790000000, 0.424691715000000, 0.675726330000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.699846790000000, 0.924691715000000, 0.675726330000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.199846790000000, 0.325308285000000, 0.175726330000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.199846790000000, 0.825308285000000, 0.175726330000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.300153210000000, 0.075308285000000, 0.324273670000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.300153210000000, 0.575308285000000, 0.324273670000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.087507090000000, 0.002520025000000, 0.135843230000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.087507090000000, 0.502520025000000, 0.135843230000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.412492910000000, 0.252520025000000, 0.364156770000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.412492910000000, 0.752520025000000, 0.364156770000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.912492910000000, 0.497479975000000, 0.864156770000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.912492910000000, 0.997479975000000, 0.864156770000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.587507090000000, 0.247479975000000, 0.635843230000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.587507090000000, 0.747479975000000, 0.635843230000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.118721490000000, 0.146497385000000, 0.323060730000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.118721490000000, 0.646497385000000, 0.323060730000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.881278510000000, 0.146497385000000, 0.176939270000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.881278510000000, 0.646497385000000, 0.176939270000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.881278510000000, 0.353502615000000, 0.676939270000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.881278510000000, 0.853502615000000, 0.676939270000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.118721490000000, 0.353502615000000, 0.823060730000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.118721490000000, 0.853502615000000, 0.823060730000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.482053270000000, 0.048857235000000, 0.101827280000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 42 coordinates: [ 0.482053270000000, 0.548857235000000, 0.101827280000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 43 coordinates: [ 0.517946730000000, 0.048857235000000, 0.398172720000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 44 coordinates: [ 0.517946730000000, 0.548857235000000, 0.398172720000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 45 coordinates: [ 0.517946730000000, 0.451142765000000, 0.898172720000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 46 coordinates: [ 0.517946730000000, 0.951142765000000, 0.898172720000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 47 coordinates: [ 0.482053270000000, 0.451142765000000, 0.601827280000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 48 coordinates: [ 0.482053270000000, 0.951142765000000, 0.601827280000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 49 coordinates: [ 0.702623270000000, 0.285994620000000, 0.941197880000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 50 coordinates: [ 0.702623270000000, 0.785994620000000, 0.941197880000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 51 coordinates: [ 0.297376730000000, 0.285994620000000, 0.558802120000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 52 coordinates: [ 0.297376730000000, 0.785994620000000, 0.558802120000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 53 coordinates: [ 0.297376730000000, 0.214005380000000, 0.058802120000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 54 coordinates: [ 0.297376730000000, 0.714005380000000, 0.058802120000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 55 coordinates: [ 0.702623270000000, 0.214005380000000, 0.441197880000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 56 coordinates: [ 0.702623270000000, 0.714005380000000, 0.441197880000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 57 coordinates: [ 0.300153210000000, 0.424691715000000, 0.824273670000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 58 coordinates: [ 0.300153210000000, 0.924691715000000, 0.824273670000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 59 coordinates: [ 0.199846790000000, 0.174691715000000, 0.675726330000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 60 coordinates: [ 0.199846790000000, 0.674691715000000, 0.675726330000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 61 coordinates: [ 0.699846790000000, 0.075308285000000, 0.175726330000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 62 coordinates: [ 0.699846790000000, 0.575308285000000, 0.175726330000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 63 coordinates: [ 0.800153210000000, 0.325308285000000, 0.324273670000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 64 coordinates: [ 0.800153210000000, 0.825308285000000, 0.324273670000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 65 coordinates: [ 0.587507090000000, 0.252520025000000, 0.135843230000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 66 coordinates: [ 0.587507090000000, 0.752520025000000, 0.135843230000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 67 coordinates: [ 0.912492910000000, 0.002520025000000, 0.364156770000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 68 coordinates: [ 0.912492910000000, 0.502520025000000, 0.364156770000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 69 coordinates: [ 0.412492910000000, 0.247479975000000, 0.864156770000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 70 coordinates: [ 0.412492910000000, 0.747479975000000, 0.864156770000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 71 coordinates: [ 0.087507090000000, 0.497479975000000, 0.635843230000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 72 coordinates: [ 0.087507090000000, 0.997479975000000, 0.635843230000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 73 coordinates: [ 0.618721490000000, 0.396497385000000, 0.323060730000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 74 coordinates: [ 0.618721490000000, 0.896497385000000, 0.323060730000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 75 coordinates: [ 0.381278510000000, 0.396497385000000, 0.176939270000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 76 coordinates: [ 0.381278510000000, 0.896497385000000, 0.176939270000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 77 coordinates: [ 0.381278510000000, 0.103502615000000, 0.676939270000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 78 coordinates: [ 0.381278510000000, 0.603502615000000, 0.676939270000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 79 coordinates: [ 0.618721490000000, 0.103502615000000, 0.823060730000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 80 coordinates: [ 0.618721490000000, 0.603502615000000, 0.823060730000000 ] mass: 15.999400 reduced_to: 39 - symbol: Si # 81 coordinates: [ 0.683040300000000, 0.203626680000000, 0.807672570000000 ] mass: 28.085500 reduced_to: 81 - symbol: Si # 82 coordinates: [ 0.683040300000000, 0.703626680000000, 0.807672570000000 ] mass: 28.085500 reduced_to: 81 - symbol: Si # 83 coordinates: [ 0.816959700000000, 0.453626680000000, 0.692327430000000 ] mass: 28.085500 reduced_to: 83 - symbol: Si # 84 coordinates: [ 0.816959700000000, 0.953626680000000, 0.692327430000000 ] mass: 28.085500 reduced_to: 83 - symbol: Si # 85 coordinates: [ 0.316959700000000, 0.296373320000000, 0.192327430000000 ] mass: 28.085500 reduced_to: 85 - symbol: Si # 86 coordinates: [ 0.316959700000000, 0.796373320000000, 0.192327430000000 ] mass: 28.085500 reduced_to: 85 - symbol: Si # 87 coordinates: [ 0.183040300000000, 0.046373320000000, 0.307672570000000 ] mass: 28.085500 reduced_to: 87 - symbol: Si # 88 coordinates: [ 0.183040300000000, 0.546373320000000, 0.307672570000000 ] mass: 28.085500 reduced_to: 87 - symbol: Si # 89 coordinates: [ 0.183040300000000, 0.453626680000000, 0.807672570000000 ] mass: 28.085500 reduced_to: 81 - symbol: Si # 90 coordinates: [ 0.183040300000000, 0.953626680000000, 0.807672570000000 ] mass: 28.085500 reduced_to: 81 - symbol: Si # 91 coordinates: [ 0.316959700000000, 0.203626680000000, 0.692327430000000 ] mass: 28.085500 reduced_to: 83 - symbol: Si # 92 coordinates: [ 0.316959700000000, 0.703626680000000, 0.692327430000000 ] mass: 28.085500 reduced_to: 83 - symbol: Si # 93 coordinates: [ 0.816959700000000, 0.046373320000000, 0.192327430000000 ] mass: 28.085500 reduced_to: 85 - symbol: Si # 94 coordinates: [ 0.816959700000000, 0.546373320000000, 0.192327430000000 ] mass: 28.085500 reduced_to: 85 - symbol: Si # 95 coordinates: [ 0.683040300000000, 0.296373320000000, 0.307672570000000 ] mass: 28.085500 reduced_to: 87 - symbol: Si # 96 coordinates: [ 0.683040300000000, 0.796373320000000, 0.307672570000000 ] mass: 28.085500 reduced_to: 87 - symbol: Lu # 97 coordinates: [ 0.860637680000000, 0.312757085000000, 0.163961150000000 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 98 coordinates: [ 0.860637680000000, 0.812757085000000, 0.163961150000000 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 99 coordinates: [ 0.139362320000000, 0.312757085000000, 0.336038850000000 ] mass: 174.966800 reduced_to: 99 - symbol: Lu # 100 coordinates: [ 0.139362320000000, 0.812757085000000, 0.336038850000000 ] mass: 174.966800 reduced_to: 99 - symbol: Lu # 101 coordinates: [ 0.139362320000000, 0.187242915000000, 0.836038850000000 ] mass: 174.966800 reduced_to: 101 - symbol: Lu # 102 coordinates: [ 0.139362320000000, 0.687242915000000, 0.836038850000000 ] mass: 174.966800 reduced_to: 101 - symbol: Lu # 103 coordinates: [ 0.860637680000000, 0.187242915000000, 0.663961150000000 ] mass: 174.966800 reduced_to: 103 - symbol: Lu # 104 coordinates: [ 0.860637680000000, 0.687242915000000, 0.663961150000000 ] mass: 174.966800 reduced_to: 103 - symbol: Lu # 105 coordinates: [ 0.963919660000000, 0.371373770000000, 0.534360730000000 ] mass: 174.966800 reduced_to: 105 - symbol: Lu # 106 coordinates: [ 0.963919660000000, 0.871373770000000, 0.534360730000000 ] mass: 174.966800 reduced_to: 105 - symbol: Lu # 107 coordinates: [ 0.036080340000000, 0.371373770000000, 0.965639270000000 ] mass: 174.966800 reduced_to: 107 - symbol: Lu # 108 coordinates: [ 0.036080340000000, 0.871373770000000, 0.965639270000000 ] mass: 174.966800 reduced_to: 107 - symbol: Lu # 109 coordinates: [ 0.036080340000000, 0.128626230000000, 0.465639270000000 ] mass: 174.966800 reduced_to: 109 - symbol: Lu # 110 coordinates: [ 0.036080340000000, 0.628626230000000, 0.465639270000000 ] mass: 174.966800 reduced_to: 109 - symbol: Lu # 111 coordinates: [ 0.963919660000000, 0.128626230000000, 0.034360730000000 ] mass: 174.966800 reduced_to: 111 - symbol: Lu # 112 coordinates: [ 0.963919660000000, 0.628626230000000, 0.034360730000000 ] mass: 174.966800 reduced_to: 111 - symbol: Lu # 113 coordinates: [ 0.360637680000000, 0.062757085000000, 0.163961150000000 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 114 coordinates: [ 0.360637680000000, 0.562757085000000, 0.163961150000000 ] mass: 174.966800 reduced_to: 97 - symbol: Lu # 115 coordinates: [ 0.639362320000000, 0.062757085000000, 0.336038850000000 ] mass: 174.966800 reduced_to: 99 - symbol: Lu # 116 coordinates: [ 0.639362320000000, 0.562757085000000, 0.336038850000000 ] mass: 174.966800 reduced_to: 99 - symbol: Lu # 117 coordinates: [ 0.639362320000000, 0.437242915000000, 0.836038850000000 ] mass: 174.966800 reduced_to: 101 - symbol: Lu # 118 coordinates: [ 0.639362320000000, 0.937242915000000, 0.836038850000000 ] mass: 174.966800 reduced_to: 101 - symbol: Lu # 119 coordinates: [ 0.360637680000000, 0.437242915000000, 0.663961150000000 ] mass: 174.966800 reduced_to: 103 - symbol: Lu # 120 coordinates: [ 0.360637680000000, 0.937242915000000, 0.663961150000000 ] mass: 174.966800 reduced_to: 103 - symbol: Lu # 121 coordinates: [ 0.463919660000000, 0.121373770000000, 0.534360730000000 ] mass: 174.966800 reduced_to: 105 - symbol: Lu # 122 coordinates: [ 0.463919660000000, 0.621373770000000, 0.534360730000000 ] mass: 174.966800 reduced_to: 105 - symbol: Lu # 123 coordinates: [ 0.536080340000000, 0.121373770000000, 0.965639270000000 ] mass: 174.966800 reduced_to: 107 - symbol: Lu # 124 coordinates: [ 0.536080340000000, 0.621373770000000, 0.965639270000000 ] mass: 174.966800 reduced_to: 107 - symbol: Lu # 125 coordinates: [ 0.536080340000000, 0.378626230000000, 0.465639270000000 ] mass: 174.966800 reduced_to: 109 - symbol: Lu # 126 coordinates: [ 0.536080340000000, 0.878626230000000, 0.465639270000000 ] mass: 174.966800 reduced_to: 109 - symbol: Lu # 127 coordinates: [ 0.463919660000000, 0.378626230000000, 0.034360730000000 ] mass: 174.966800 reduced_to: 111 - symbol: Lu # 128 coordinates: [ 0.463919660000000, 0.878626230000000, 0.034360730000000 ] mass: 174.966800 reduced_to: 111displacements:- atom: 1 displacement: [ 0.0099999779436379, 0.0000000000000000, 0.0000210030177685 ] forces: - [ -0.1708569200000000, -0.0210425100000000, 0.0382264500000000 ] - [ -0.0007309300000000, 0.0005805100000000, -0.0002028800000000 ] - [ -0.0060505100000000, 0.0005574800000000, -0.0148376500000000 ] - [ -0.0009796900000000, 0.0004076600000000, 0.0000530000000000 ] - [ 0.0047729500000000, -0.0129919800000000, -0.0137819200000000 ] - [ -0.0004645100000000, 0.0004474900000000, -0.0001692900000000 ] - [ 0.0003350400000000, 0.0006748700000000, -0.0044149500000000 ] - [ 0.0000084600000000, -0.0000527000000000, -0.0009598600000000 ] - [ 0.0002502100000000, -0.0013327100000000, 0.0001674300000000 ] - [ 0.0008517900000000, 0.0015536500000000, -0.0002124100000000 ] - [ 0.0000678300000000, 0.0000768300000000, -0.0008270000000000 ] - [ 0.0002597800000000, -0.0000097000000000, -0.0016941800000000 ] - [ 0.0041812300000000, -0.0094681200000000, 0.0017116900000000 ] - [ 0.0006230100000000, 0.0023261500000000, 0.0006271500000000 ] - [ -0.0003831100000000, 0.0025156000000000, 0.0024317100000000 ] - [ -0.0002894600000000, -0.0008877900000000, 0.0007224800000000 ] - [ -0.0019822800000000, 0.0033488100000000, 0.0049010100000000 ] - [ -0.0006624600000000, 0.0003069600000000, 0.0001991600000000 ] - [ -0.0017636900000000, -0.0007105900000000, 0.0003764000000000 ] - [ -0.0006478300000000, 0.0002528100000000, -0.0002574600000000 ] - [ 0.0197763500000000, 0.0007090900000000, 0.0061822900000000 ] - [ -0.0004700400000000, 0.0000935600000000, -0.0004077500000000 ] - [ 0.0010709800000000, -0.0007407500000000, 0.0009612200000000 ] - [ 0.0019607200000000, 0.0010356800000000, 0.0015659800000000 ] - [ -0.0013394300000000, -0.0005612800000000, -0.0003811100000000 ] - [ -0.0009313700000000, 0.0087393500000000, 0.0032892000000000 ] - [ 0.0031902500000000, -0.0012169300000000, 0.0020322300000000 ] - [ 0.0008188300000000, 0.0001544900000000, -0.0002202300000000 ] - [ -0.0048413100000000, 0.0028974900000000, -0.0032597400000000 ] - [ -0.0002915200000000, -0.0002900900000000, -0.0012989900000000 ] - [ 0.0004474700000000, 0.0003267300000000, 0.0037375600000000 ] - [ -0.0004674000000000, 0.0001070300000000, 0.0010455600000000 ] - [ -0.0028768700000000, -0.0051145400000000, 0.0031589600000000 ] - [ -0.0014290100000000, 0.0023012400000000, 0.0007883400000000 ] - [ 0.0048141600000000, 0.0160211100000000, -0.0032182800000000 ] - [ -0.0012893100000000, -0.0016858200000000, -0.0001298700000000 ] - [ -0.0010150900000000, -0.0005969000000000, -0.0041768600000000 ] - [ 0.0000128000000000, -0.0002302400000000, -0.0001805500000000 ] - [ 0.0075083700000000, -0.0013642700000000, -0.0061060600000000 ] - [ -0.0001750100000000, -0.0002767300000000, -0.0006436900000000 ] - [ 0.0016744100000000, 0.0003835000000000, -0.0002552700000000 ] - [ 0.0016679100000000, 0.0003235800000000, -0.0002611300000000 ] - [ 0.0008791700000000, 0.0001214900000000, 0.0007576700000000 ] - [ 0.0008763000000000, 0.0001395000000000, 0.0007982800000000 ] - [ 0.0021149500000000, -0.0004710100000000, 0.0010770500000000 ] - [ 0.0005542000000000, 0.0001337700000000, 0.0006818500000000 ] - [ 0.0017003200000000, -0.0003744700000000, 0.0011739700000000 ] - [ 0.0007247800000000, -0.0002045800000000, 0.0002522500000000 ] - [ 0.0043739200000000, 0.0015542700000000, 0.0088283400000000 ] - [ -0.0005659000000000, 0.0002019500000000, 0.0005665400000000 ] - [ 0.0032065900000000, -0.0016462900000000, 0.0059405300000000 ] - [ 0.0004889300000000, 0.0000682000000000, -0.0000168500000000 ] - [ 0.0027878900000000, -0.0019181300000000, -0.0004375500000000 ] - [ 0.0005633800000000, 0.0005334500000000, -0.0002169600000000 ] - [ 0.0010392300000000, 0.0017221100000000, -0.0014145900000000 ] - [ -0.0003195600000000, 0.0000155200000000, -0.0001024600000000 ] - [ 0.0022272300000000, 0.0004253400000000, 0.0005630700000000 ] - [ 0.0008864600000000, -0.0001695600000000, 0.0004090100000000 ] - [ -0.0006226200000000, -0.0005341600000000, -0.0016241500000000 ] - [ -0.0004947100000000, 0.0001720100000000, -0.0006905600000000 ] - [ 0.0020369600000000, 0.0011521000000000, -0.0004115800000000 ] - [ 0.0017596000000000, -0.0015527900000000, -0.0009087300000000 ] - [ 0.0152344500000000, -0.0011827700000000, -0.0130286000000000 ] - [ 0.0005771500000000, 0.0002145900000000, 0.0002019300000000 ] - [ 0.0019438900000000, 0.0001886900000000, 0.0015766000000000 ] - [ -0.0001052000000000, -0.0003310600000000, 0.0006959400000000 ] - [ 0.0006401400000000, 0.0023549600000000, -0.0029722700000000 ] - [ -0.0001771500000000, -0.0026358300000000, -0.0028840300000000 ] - [ 0.0014485600000000, -0.0003458800000000, 0.0009580200000000 ] - [ 0.0008025500000000, 0.0001185600000000, -0.0001838600000000 ] - [ -0.0010192200000000, 0.0005991100000000, -0.0018297300000000 ] - [ -0.0007147900000000, 0.0001486500000000, -0.0004823500000000 ] - [ 0.0027182600000000, -0.0007035900000000, -0.0000923300000000 ] - [ 0.0002171000000000, 0.0005753200000000, -0.0002733800000000 ] - [ 0.0042134600000000, 0.0016445900000000, 0.0005140300000000 ] - [ 0.0005826000000000, 0.0001961700000000, 0.0003694200000000 ] - [ 0.0007983800000000, -0.0011774800000000, 0.0010348000000000 ] - [ 0.0005785900000000, 0.0000449400000000, 0.0008295600000000 ] - [ 0.0009323100000000, 0.0014942300000000, 0.0010446900000000 ] - [ 0.0002325700000000, -0.0016202000000000, 0.0006881100000000 ] - [ -0.0011303000000000, -0.0047753000000000, -0.0062809900000000 ] - [ 0.0009595200000000, 0.0001868700000000, -0.0004286200000000 ] - [ 0.0030902100000000, 0.0003806500000000, 0.0025181800000000 ] - [ 0.0008222000000000, -0.0007824000000000, 0.0004021600000000 ] - [ -0.0099686100000000, 0.0034483700000000, -0.0018768000000000 ] - [ -0.0002058800000000, -0.0000159500000000, -0.0006118400000000 ] - [ -0.0009603100000000, 0.0031560000000000, 0.0005060600000000 ] - [ -0.0008143600000000, -0.0031079900000000, -0.0034946300000000 ] - [ -0.0030211900000000, -0.0039571900000000, 0.0025592400000000 ] - [ -0.0004174000000000, 0.0003773100000000, 0.0013572200000000 ] - [ 0.0003944600000000, 0.0017740800000000, -0.0028498300000000 ] - [ -0.0001323900000000, -0.0006117600000000, -0.0008359800000000 ] - [ -0.0035308300000000, -0.0062629700000000, 0.0001843900000000 ] - [ -0.0010400400000000, 0.0066171700000000, 0.0034271000000000 ] - [ -0.0089339700000000, -0.0015462900000000, -0.0005161200000000 ] - [ -0.0004775200000000, 0.0002785000000000, 0.0004621300000000 ] - [ 0.0519373300000000, -0.0015113300000000, -0.0025535100000000 ] - [ 0.0008534100000000, -0.0005760200000000, 0.0001813300000000 ] - [ 0.0221995800000000, 0.0017304400000000, 0.0013229600000000 ] - [ 0.0008174600000000, -0.0004830700000000, -0.0001391000000000 ] - [ -0.0039873600000000, 0.0032920400000000, 0.0034604100000000 ] - [ 0.0001727500000000, -0.0011467900000000, 0.0009711900000000 ] - [ 0.0047838900000000, 0.0007650600000000, 0.0046332600000000 ] - [ 0.0002071400000000, -0.0003705700000000, 0.0011522000000000 ] - [ 0.0003715900000000, 0.0017220800000000, 0.0090385200000000 ] - [ 0.0003412000000000, -0.0009091600000000, 0.0007540900000000 ] - [ 0.0395817900000000, 0.0179730800000000, -0.0147242800000000 ] - [ 0.0004440400000000, -0.0000258500000000, 0.0006927700000000 ] - [ 0.0030320500000000, -0.0021126300000000, 0.0049225400000000 ] - [ 0.0020028800000000, 0.0006950300000000, 0.0017852300000000 ] - [ 0.0198400600000000, -0.0003550000000000, -0.0016594600000000 ] - [ 0.0041459500000000, -0.0018890700000000, -0.0001259000000000 ] - [ -0.0020279300000000, 0.0017101800000000, -0.0007605900000000 ] - [ -0.0023924400000000, -0.0015493600000000, -0.0006257800000000 ] - [ -0.0015959300000000, -0.0011413800000000, 0.0002944300000000 ] - [ -0.0014719000000000, 0.0008305300000000, 0.0005566700000000 ] - [ -0.0033216600000000, 0.0038587800000000, -0.0059642500000000 ] - [ -0.0004115000000000, -0.0010543400000000, -0.0011083700000000 ] - [ -0.0023930700000000, -0.0013436000000000, -0.0024382300000000 ] - [ -0.0008568300000000, 0.0001869300000000, -0.0006733600000000 ] - [ -0.0017281800000000, 0.0003992000000000, -0.0027783000000000 ] - [ -0.0009142100000000, -0.0003762800000000, -0.0018225900000000 ] - [ -0.0029714800000000, -0.0010760900000000, -0.0008294600000000 ] - [ -0.0016482400000000, 0.0004625600000000, -0.0002883100000000 ] - [ -0.0022501100000000, 0.0002043300000000, -0.0015259200000000 ] - [ -0.0005991700000000, -0.0000423200000000, 0.0000410500000000 ] - [ -0.0034516200000000, 0.0004778600000000, -0.0012652200000000 ] - [ -0.0008186400000000, -0.0000240600000000, -0.0007180600000000 ]- atom: 1 displacement: [ -0.0099999779436379, 0.0000000000000000, -0.0000210030177685 ] forces: - [ 0.1736794800000000, 0.0199153000000000, -0.0391567800000000 ] - [ 0.0011336800000000, -0.0001692200000000, -0.0004320500000000 ] - [ 0.0058093800000000, -0.0001558400000000, 0.0154563500000000 ] - [ 0.0005951300000000, 0.0000132900000000, 0.0005670400000000 ] - [ -0.0052108300000000, 0.0125057000000000, 0.0143529200000000 ] - [ 0.0000631400000000, -0.0008570700000000, 0.0008041600000000 ] - [ 0.0000797500000000, -0.0011023500000000, 0.0037981000000000 ] - [ 0.0003800400000000, -0.0003585800000000, 0.0003372700000000 ] - [ -0.0010301100000000, 0.0012699400000000, 0.0003875200000000 ] - [ -0.0016206300000000, -0.0016185300000000, 0.0007780300000000 ] - [ 0.0007015200000000, -0.0001543000000000, 0.0002772500000000 ] - [ 0.0005148900000000, -0.0000567100000000, 0.0011418200000000 ] - [ -0.0034113300000000, 0.0096312300000000, -0.0023117500000000 ] - [ 0.0001506900000000, -0.0022602600000000, -0.0012054600000000 ] - [ -0.0004016300000000, -0.0024747000000000, -0.0018821000000000 ] - [ -0.0004865200000000, 0.0009777900000000, -0.0001642500000000 ] - [ 0.0029168700000000, -0.0033519400000000, -0.0039908800000000 ] - [ 0.0015387600000000, -0.0003036100000000, 0.0006737400000000 ] - [ 0.0009159600000000, 0.0007118800000000, -0.0012408500000000 ] - [ -0.0001979800000000, -0.0002457600000000, -0.0005994200000000 ] - [ -0.0203446400000000, -0.0006698400000000, -0.0069479900000000 ] - [ -0.0004084500000000, -0.0000876200000000, -0.0004651200000000 ] - [ -0.0002386300000000, 0.0007427800000000, -0.0000958400000000 ] - [ -0.0011086500000000, -0.0010329800000000, -0.0007052300000000 ] - [ 0.0003225400000000, 0.0003950200000000, 0.0015104800000000 ] - [ -0.0000933000000000, -0.0089769300000000, -0.0021245100000000 ] - [ -0.0022049500000000, 0.0009899900000000, -0.0031782500000000 ] - [ 0.0001602900000000, -0.0003727200000000, -0.0009375700000000 ] - [ 0.0057804200000000, -0.0026885500000000, 0.0021223100000000 ] - [ 0.0012679800000000, 0.0005602900000000, 0.0002086500000000 ] - [ -0.0014161100000000, -0.0001219900000000, -0.0025897200000000 ] - [ -0.0005123700000000, 0.0001194900000000, 0.0001044700000000 ] - [ 0.0025691000000000, 0.0058876300000000, -0.0036728800000000 ] - [ 0.0011756300000000, -0.0016123500000000, -0.0012577300000000 ] - [ -0.0045318200000000, -0.0154780200000000, 0.0037094100000000 ] - [ 0.0015782000000000, 0.0024223900000000, 0.0005914000000000 ] - [ 0.0012726900000000, -0.0001187600000000, 0.0046558700000000 ] - [ 0.0002457600000000, -0.0004590400000000, 0.0006521500000000 ] - [ -0.0077610400000000, 0.0006347600000000, 0.0056511900000000 ] - [ -0.0000907300000000, -0.0004173200000000, 0.0001822900000000 ] - [ -0.0012746700000000, 0.0000282900000000, -0.0003799800000000 ] - [ -0.0012807000000000, 0.0001010800000000, -0.0003583100000000 ] - [ -0.0012744100000000, 0.0003066300000000, -0.0001185700000000 ] - [ -0.0012763000000000, 0.0002893500000000, -0.0001764700000000 ] - [ -0.0025191500000000, 0.0000595500000000, -0.0004624200000000 ] - [ -0.0009568800000000, -0.0005597200000000, -0.0000583900000000 ] - [ -0.0013205000000000, -0.0000410900000000, -0.0018126600000000 ] - [ -0.0003388500000000, -0.0002363600000000, -0.0008798500000000 ] - [ -0.0051770000000000, -0.0016488900000000, -0.0083624700000000 ] - [ -0.0002082600000000, -0.0002582800000000, 0.0000037600000000 ] - [ -0.0024538200000000, 0.0015958500000000, -0.0065725900000000 ] - [ 0.0002875500000000, -0.0001209600000000, -0.0005577200000000 ] - [ -0.0020097700000000, 0.0019760000000000, -0.0001449100000000 ] - [ 0.0002081100000000, -0.0004749200000000, -0.0003564700000000 ] - [ -0.0018369100000000, -0.0016862800000000, 0.0020033500000000 ] - [ -0.0004543800000000, 0.0000506000000000, 0.0006805700000000 ] - [ -0.0013727600000000, -0.0004253900000000, 0.0002943400000000 ] - [ -0.0000228100000000, 0.0001752200000000, 0.0004548200000000 ] - [ -0.0002374000000000, 0.0005367600000000, 0.0007502300000000 ] - [ -0.0003685900000000, -0.0001719400000000, -0.0001743600000000 ] - [ -0.0028981900000000, -0.0011625700000000, -0.0004579100000000 ] - [ -0.0026363800000000, 0.0015643200000000, 0.0000478700000000 ] - [ -0.0145884400000000, 0.0011923400000000, 0.0141065900000000 ] - [ 0.0002964400000000, -0.0002141600000000, 0.0006719300000000 ] - [ -0.0029457600000000, -0.0004142100000000, -0.0004271400000000 ] - [ -0.0008849500000000, 0.0001158900000000, 0.0004569600000000 ] - [ 0.0003443500000000, -0.0025720600000000, 0.0018254700000000 ] - [ 0.0011702300000000, 0.0024348700000000, 0.0017519200000000 ] - [ -0.0004737700000000, 0.0005545100000000, -0.0021405000000000 ] - [ 0.0001723400000000, 0.0001058900000000, -0.0009731600000000 ] - [ 0.0000439700000000, -0.0003785100000000, 0.0029926400000000 ] - [ -0.0002576600000000, 0.0000755700000000, 0.0016538000000000 ] - [ -0.0030083100000000, 0.0014149400000000, -0.0003716500000000 ] - [ -0.0004882300000000, 0.0001288600000000, -0.0001858600000000 ] - [ -0.0039316600000000, -0.0009329100000000, -0.0000557700000000 ] - [ -0.0003173300000000, 0.0005051600000000, 0.0000947300000000 ] - [ -0.0005515000000000, 0.0004859900000000, -0.0005791400000000 ] - [ -0.0003117800000000, -0.0007597900000000, -0.0003762100000000 ] - [ -0.0011825600000000, -0.0022112200000000, -0.0015134100000000 ] - [ -0.0004925300000000, 0.0009317000000000, -0.0011581000000000 ] - [ 0.0009330700000000, 0.0042287500000000, 0.0069162100000000 ] - [ -0.0010859500000000, -0.0008122300000000, 0.0010188900000000 ] - [ -0.0029708000000000, -0.0009956600000000, -0.0031225000000000 ] - [ -0.0007116000000000, 0.0001577000000000, -0.0010251700000000 ] - [ 0.0100740900000000, -0.0028019600000000, 0.0012940300000000 ] - [ 0.0003380400000000, 0.0006252400000000, 0.0000265500000000 ] - [ 0.0008854100000000, -0.0025711000000000, 0.0000967100000000 ] - [ 0.0007110800000000, 0.0037399500000000, 0.0040980300000000 ] - [ 0.0028906800000000, 0.0033391400000000, -0.0019692600000000 ] - [ 0.0002997000000000, -0.0009945000000000, -0.0007714100000000 ] - [ -0.0002760400000000, -0.0023985000000000, 0.0022936600000000 ] - [ 0.0002538400000000, -0.0000081800000000, 0.0002569500000000 ] - [ 0.0036504700000000, 0.0069047600000000, -0.0007680100000000 ] - [ 0.0011628700000000, -0.0060605400000000, -0.0040429400000000 ] - [ 0.0089068300000000, 0.0021909400000000, 0.0011118300000000 ] - [ 0.0003569100000000, 0.0003315900000000, 0.0001219600000000 ] - [ -0.0563910600000000, 0.0018322800000000, 0.0036768900000000 ] - [ -0.0011652500000000, 0.0004654400000000, -0.0001079800000000 ] - [ -0.0217170400000000, -0.0017460500000000, -0.0007874600000000 ] - [ -0.0005163800000000, 0.0003866600000000, 0.0000802700000000 ] - [ 0.0043089000000000, -0.0031800100000000, -0.0035381700000000 ] - [ 0.0001344700000000, 0.0012241400000000, -0.0010431500000000 ] - [ -0.0050786100000000, -0.0006564000000000, -0.0046291400000000 ] - [ -0.0005131900000000, 0.0004475700000000, -0.0010878000000000 ] - [ -0.0002647900000000, -0.0019629900000000, -0.0100552400000000 ] - [ -0.0001843200000000, 0.0006548800000000, -0.0017396400000000 ] - [ -0.0382264600000000, -0.0170246500000000, 0.0142452300000000 ] - [ -0.0005882400000000, -0.0002540400000000, 0.0002813200000000 ] - [ -0.0032294700000000, 0.0023576500000000, -0.0039334200000000 ] - [ -0.0021811600000000, -0.0004613100000000, -0.0008071800000000 ] - [ -0.0197078200000000, 0.0004568000000000, 0.0006175500000000 ] - [ -0.0040228500000000, 0.0021490100000000, -0.0008641500000000 ] - [ 0.0017463800000000, -0.0017864300000000, 0.0008316800000000 ] - [ 0.0021023000000000, 0.0014422400000000, 0.0007016100000000 ] - [ 0.0018994300000000, 0.0010791800000000, -0.0003688300000000 ] - [ 0.0017746100000000, -0.0009390200000000, -0.0006304500000000 ] - [ 0.0036325200000000, -0.0038102200000000, 0.0059435400000000 ] - [ 0.0007022900000000, 0.0011419100000000, 0.0010384800000000 ] - [ 0.0021152300000000, 0.0014468800000000, 0.0025278800000000 ] - [ 0.0005634800000000, -0.0001051600000000, 0.0007527700000000 ] - [ 0.0019090400000000, -0.0006275800000000, 0.0017943600000000 ] - [ 0.0010754000000000, 0.0001150800000000, 0.0008415800000000 ] - [ 0.0028196700000000, 0.0008528000000000, 0.0018312200000000 ] - [ 0.0014939700000000, -0.0007214600000000, 0.0012755700000000 ] - [ 0.0020924700000000, 0.0000363300000000, 0.0024948900000000 ] - [ 0.0004370500000000, 0.0002872000000000, 0.0009403300000000 ] - [ 0.0036261300000000, -0.0002375100000000, 0.0003063500000000 ] - [ 0.0009816900000000, 0.0002687700000000, -0.0002634300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0207668500000000, -0.0853789400000000, 0.0091982900000000 ] - [ 0.0005629300000000, 0.0027421200000000, -0.0003627900000000 ] - [ -0.0005181400000000, -0.0064423400000000, 0.0010923200000000 ] - [ -0.0003882200000000, 0.0016322000000000, 0.0002819600000000 ] - [ -0.0129255900000000, -0.0019317900000000, 0.0130513400000000 ] - [ 0.0004601000000000, 0.0023887600000000, -0.0002835900000000 ] - [ -0.0006884000000000, -0.0024160500000000, 0.0007158300000000 ] - [ 0.0000393600000000, 0.0010300500000000, -0.0003923500000000 ] - [ -0.0011041100000000, 0.0001428000000000, 0.0004036500000000 ] - [ 0.0006202000000000, 0.0007902400000000, 0.0000572600000000 ] - [ 0.0005521200000000, 0.0000595100000000, 0.0010724700000000 ] - [ 0.0001456500000000, 0.0004968300000000, -0.0018607900000000 ] - [ -0.0046629500000000, 0.0018894700000000, -0.0002751500000000 ] - [ 0.0013623300000000, 0.0022573300000000, 0.0000495100000000 ] - [ 0.0000236800000000, -0.0011084800000000, 0.0025717000000000 ] - [ -0.0009032000000000, 0.0027513900000000, -0.0014512200000000 ] - [ 0.0047644700000000, -0.0006011000000000, 0.0070343900000000 ] - [ -0.0004664900000000, 0.0013333400000000, -0.0003229700000000 ] - [ -0.0015537800000000, -0.0008727700000000, -0.0015793900000000 ] - [ 0.0006692900000000, 0.0009474800000000, 0.0004532900000000 ] - [ 0.0024411200000000, -0.0042944000000000, 0.0016636600000000 ] - [ -0.0011832000000000, 0.0014044900000000, -0.0007791300000000 ] - [ -0.0020252400000000, -0.0002400600000000, -0.0001631500000000 ] - [ 0.0026046300000000, 0.0009953800000000, 0.0021619600000000 ] - [ -0.0044633100000000, 0.0050006700000000, -0.0023569700000000 ] - [ 0.0057219000000000, 0.0125137100000000, 0.0039008300000000 ] - [ 0.0008218300000000, -0.0013196100000000, -0.0000713000000000 ] - [ 0.0005944100000000, 0.0008872800000000, -0.0006834500000000 ] - [ -0.0000317400000000, 0.0040255500000000, -0.0056041200000000 ] - [ -0.0001634300000000, 0.0068951500000000, 0.0066099200000000 ] - [ 0.0003716500000000, -0.0013987300000000, 0.0013401900000000 ] - [ -0.0004632500000000, 0.0011552100000000, 0.0003807300000000 ] - [ -0.0040158100000000, 0.0059451100000000, -0.0108362100000000 ] - [ -0.0009873200000000, 0.0033817100000000, 0.0016082600000000 ] - [ 0.0120073500000000, 0.0068524800000000, -0.0043249900000000 ] - [ -0.0002660100000000, 0.0022310900000000, 0.0006158700000000 ] - [ 0.0000385300000000, -0.0032861700000000, -0.0017645000000000 ] - [ -0.0004969200000000, 0.0023233200000000, 0.0014447100000000 ] - [ 0.0063037400000000, -0.0033674000000000, -0.0043671300000000 ] - [ -0.0003090300000000, 0.0008485700000000, -0.0002230500000000 ] - [ 0.0003097200000000, 0.0002668800000000, -0.0001302800000000 ] - [ 0.0003701400000000, 0.0002615300000000, -0.0004028300000000 ] - [ -0.0001162200000000, 0.0002593700000000, 0.0003789400000000 ] - [ -0.0001010300000000, 0.0002486400000000, 0.0004102900000000 ] - [ -0.0004550800000000, -0.0003785900000000, 0.0004929900000000 ] - [ 0.0001497000000000, 0.0000856000000000, 0.0001840600000000 ] - [ 0.0003553900000000, -0.0004474200000000, -0.0005132700000000 ] - [ 0.0001724600000000, 0.0001037200000000, -0.0001930900000000 ] - [ 0.0002672100000000, -0.0028960500000000, -0.0009119900000000 ] - [ -0.0005543900000000, 0.0012511900000000, 0.0005217000000000 ] - [ 0.0013297200000000, -0.0016306100000000, 0.0022609700000000 ] - [ 0.0004762700000000, 0.0011303700000000, -0.0004720000000000 ] - [ 0.0004982800000000, -0.0014447200000000, -0.0008885100000000 ] - [ 0.0003617400000000, 0.0010370100000000, -0.0000343900000000 ] - [ -0.0002733500000000, -0.0012129700000000, 0.0012488700000000 ] - [ -0.0003650400000000, 0.0009578100000000, 0.0000701900000000 ] - [ 0.0014704400000000, -0.0001172300000000, 0.0006567700000000 ] - [ 0.0001772900000000, 0.0004495000000000, 0.0002585800000000 ] - [ -0.0012407900000000, -0.0009695200000000, -0.0007925900000000 ] - [ -0.0001376700000000, 0.0005967300000000, -0.0002522500000000 ] - [ 0.0019031200000000, 0.0002648100000000, -0.0002584200000000 ] - [ -0.0017018700000000, 0.0008960300000000, -0.0001622500000000 ] - [ -0.0008723400000000, -0.0001004900000000, 0.0013193400000000 ] - [ 0.0006893800000000, 0.0007869300000000, 0.0005695200000000 ] - [ -0.0003664600000000, -0.0010998800000000, 0.0005837200000000 ] - [ -0.0005766800000000, 0.0007222100000000, 0.0006933400000000 ] - [ 0.0009002000000000, 0.0019713700000000, -0.0021196600000000 ] - [ 0.0000129900000000, 0.0002426100000000, 0.0003782900000000 ] - [ 0.0005420100000000, -0.0009499400000000, -0.0004192000000000 ] - [ 0.0004550300000000, 0.0008837700000000, -0.0004601800000000 ] - [ -0.0004165800000000, 0.0005808300000000, 0.0001693900000000 ] - [ -0.0005597100000000, 0.0006449700000000, 0.0002329900000000 ] - [ -0.0001894400000000, -0.0003176400000000, -0.0003553000000000 ] - [ -0.0001324400000000, 0.0010348600000000, -0.0000619300000000 ] - [ 0.0004662000000000, -0.0001975800000000, 0.0004002700000000 ] - [ 0.0000950300000000, 0.0009841200000000, 0.0002309800000000 ] - [ 0.0001414900000000, -0.0009483000000000, -0.0000817100000000 ] - [ 0.0000953500000000, 0.0002287400000000, 0.0004517800000000 ] - [ 0.0010267600000000, -0.0005534800000000, -0.0000926000000000 ] - [ -0.0003303800000000, 0.0002915700000000, -0.0004804000000000 ] - [ -0.0053646200000000, 0.0027914800000000, -0.0002539500000000 ] - [ 0.0007575800000000, -0.0019018700000000, 0.0003465800000000 ] - [ 0.0014437600000000, 0.0015259300000000, 0.0047769500000000 ] - [ -0.0011380200000000, -0.0026031600000000, -0.0040312300000000 ] - [ -0.0015735500000000, 0.0022362300000000, -0.0004925000000000 ] - [ 0.0006215400000000, -0.0011534800000000, -0.0003579200000000 ] - [ 0.0044759500000000, -0.0029908000000000, 0.0027194800000000 ] - [ -0.0021873200000000, -0.0028622200000000, -0.0079783700000000 ] - [ -0.0018892800000000, -0.0018618300000000, 0.0006287600000000 ] - [ 0.0002911400000000, -0.0013496500000000, 0.0004013500000000 ] - [ 0.0010690200000000, 0.0020664700000000, -0.0001473300000000 ] - [ -0.0002347400000000, -0.0015274300000000, -0.0003833100000000 ] - [ -0.0033546200000000, -0.0039356000000000, -0.0000869300000000 ] - [ 0.0015453200000000, -0.0024862000000000, -0.0021668300000000 ] - [ 0.0007535100000000, 0.0022469900000000, 0.0001886700000000 ] - [ -0.0003014800000000, -0.0009936600000000, 0.0002043700000000 ] - [ -0.0041295800000000, 0.0151586700000000, 0.0008980000000000 ] - [ 0.0000302100000000, -0.0030659600000000, 0.0003168900000000 ] - [ 0.0007660500000000, 0.0164012400000000, -0.0002151300000000 ] - [ -0.0003186600000000, -0.0039200300000000, 0.0002033200000000 ] - [ 0.0041631200000000, 0.0031583800000000, -0.0008381900000000 ] - [ -0.0002566300000000, -0.0019964200000000, 0.0003722800000000 ] - [ 0.0003400600000000, 0.0033377900000000, -0.0044897900000000 ] - [ -0.0004040600000000, -0.0029693400000000, 0.0010273400000000 ] - [ 0.0003694600000000, 0.0019237200000000, -0.0000344800000000 ] - [ 0.0003912800000000, -0.0022519600000000, -0.0003763000000000 ] - [ 0.0137401200000000, 0.0311001200000000, -0.0086774800000000 ] - [ 0.0013529500000000, -0.0054066200000000, 0.0002753500000000 ] - [ -0.0018260900000000, 0.0018213900000000, 0.0046070700000000 ] - [ 0.0004068100000000, -0.0018378500000000, -0.0004304800000000 ] - [ 0.0044888000000000, 0.0064441900000000, -0.0067930800000000 ] - [ 0.0020142300000000, -0.0073281400000000, 0.0007113600000000 ] - [ 0.0009396300000000, 0.0003676300000000, -0.0001362100000000 ] - [ -0.0016441500000000, -0.0006387000000000, -0.0001705000000000 ] - [ -0.0008047100000000, 0.0001084000000000, -0.0004700500000000 ] - [ 0.0007382400000000, -0.0004570500000000, 0.0002523800000000 ] - [ 0.0019913800000000, 0.0012299200000000, 0.0017004900000000 ] - [ -0.0009394300000000, -0.0013070700000000, -0.0006194400000000 ] - [ -0.0008350500000000, 0.0003692200000000, -0.0007928100000000 ] - [ 0.0002282800000000, -0.0008090100000000, 0.0009486900000000 ] - [ 0.0002882300000000, 0.0009235300000000, -0.0003909200000000 ] - [ -0.0004125800000000, -0.0012519500000000, -0.0009784500000000 ] - [ -0.0009858700000000, 0.0009145000000000, 0.0001827500000000 ] - [ 0.0003201900000000, -0.0011399800000000, 0.0006927900000000 ] - [ 0.0000102500000000, 0.0016283100000000, 0.0005432300000000 ] - [ -0.0003453700000000, -0.0011873300000000, 0.0001072800000000 ] - [ -0.0002386100000000, 0.0012468200000000, -0.0007992800000000 ] - [ 0.0000486000000000, -0.0009477600000000, -0.0004304300000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0202307100000000, 0.0876177500000000, -0.0086573900000000 ] - [ -0.0001808700000000, -0.0023477700000000, -0.0002677800000000 ] - [ 0.0001911600000000, 0.0068737400000000, -0.0005890200000000 ] - [ -0.0000009800000000, -0.0012184100000000, 0.0003433400000000 ] - [ 0.0126181500000000, 0.0016059500000000, -0.0125002800000000 ] - [ -0.0008543200000000, -0.0028179700000000, 0.0009118200000000 ] - [ 0.0011007100000000, 0.0020142700000000, -0.0013587700000000 ] - [ 0.0003510300000000, -0.0014575800000000, -0.0002374100000000 ] - [ 0.0003346900000000, -0.0001953200000000, 0.0001527200000000 ] - [ -0.0013936500000000, -0.0008656300000000, 0.0005095600000000 ] - [ 0.0002173800000000, -0.0001195000000000, -0.0016620200000000 ] - [ 0.0006309900000000, -0.0005746000000000, 0.0012886300000000 ] - [ 0.0054146800000000, -0.0018498200000000, -0.0002998000000000 ] - [ -0.0006041200000000, -0.0021990500000000, -0.0006226400000000 ] - [ -0.0008092500000000, 0.0011320900000000, -0.0019996500000000 ] - [ 0.0001330400000000, -0.0026979300000000, 0.0020490600000000 ] - [ -0.0039412600000000, 0.0006449300000000, -0.0062139400000000 ] - [ 0.0013300900000000, -0.0013359900000000, 0.0011945400000000 ] - [ 0.0006927100000000, 0.0008694100000000, 0.0007172300000000 ] - [ -0.0015440100000000, -0.0009504800000000, -0.0013281600000000 ] - [ -0.0034177700000000, 0.0042803100000000, -0.0025369900000000 ] - [ 0.0003282200000000, -0.0014182200000000, -0.0000854300000000 ] - [ 0.0029053000000000, 0.0002545900000000, 0.0010436800000000 ] - [ -0.0017319200000000, -0.0009971100000000, -0.0012841100000000 ] - [ 0.0035414300000000, -0.0052630100000000, 0.0035627800000000 ] - [ -0.0066212900000000, -0.0126049600000000, -0.0027259600000000 ] - [ 0.0001539000000000, 0.0011199400000000, -0.0010849800000000 ] - [ 0.0003890000000000, -0.0011132300000000, -0.0004658800000000 ] - [ 0.0010217900000000, -0.0038090800000000, 0.0044198200000000 ] - [ 0.0011569200000000, -0.0067855300000000, -0.0078880400000000 ] - [ -0.0013535200000000, 0.0016285500000000, -0.0001818700000000 ] - [ -0.0005213900000000, -0.0009409200000000, 0.0007660700000000 ] - [ 0.0037887200000000, -0.0052709400000000, 0.0105267600000000 ] - [ 0.0007224600000000, -0.0026916700000000, -0.0020656700000000 ] - [ -0.0119054300000000, -0.0062010900000000, 0.0048598700000000 ] - [ 0.0005330700000000, -0.0015337000000000, -0.0001516300000000 ] - [ 0.0002319000000000, 0.0025861100000000, 0.0022299500000000 ] - [ 0.0007663300000000, -0.0030515600000000, -0.0010028100000000 ] - [ -0.0065360400000000, 0.0026712800000000, 0.0038835900000000 ] - [ 0.0000542200000000, -0.0015499100000000, -0.0002479300000000 ] - [ 0.0000949000000000, 0.0001599200000000, -0.0005115100000000 ] - [ 0.0000187500000000, 0.0001562600000000, -0.0002187500000000 ] - [ -0.0002705600000000, 0.0001838500000000, 0.0002609700000000 ] - [ -0.0002880900000000, 0.0001731700000000, 0.0002097700000000 ] - [ 0.0000687400000000, -0.0000486900000000, 0.0001329500000000 ] - [ -0.0005491300000000, -0.0005088600000000, 0.0004479600000000 ] - [ 0.0000282200000000, 0.0000177600000000, -0.0001190400000000 ] - [ 0.0002119200000000, -0.0005441300000000, -0.0004340300000000 ] - [ -0.0010235600000000, 0.0028598300000000, 0.0015256100000000 ] - [ -0.0002277200000000, -0.0013157700000000, 0.0000458900000000 ] - [ -0.0005892300000000, 0.0016091900000000, -0.0029045600000000 ] - [ 0.0003069500000000, -0.0011936200000000, -0.0000912700000000 ] - [ 0.0002765900000000, 0.0015284200000000, 0.0003192300000000 ] - [ 0.0004209200000000, -0.0009941400000000, -0.0005400300000000 ] - [ -0.0005001200000000, 0.0012957300000000, -0.0006889100000000 ] - [ -0.0004151100000000, -0.0009079800000000, 0.0005016200000000 ] - [ -0.0006069200000000, 0.0001154700000000, 0.0002038600000000 ] - [ 0.0006926200000000, -0.0004448500000000, 0.0006086800000000 ] - [ 0.0003891900000000, 0.0009870800000000, -0.0000799800000000 ] - [ -0.0007248700000000, -0.0006039300000000, -0.0006137300000000 ] - [ -0.0027819100000000, -0.0002618100000000, -0.0006147400000000 ] - [ 0.0008392900000000, -0.0009044300000000, -0.0007012400000000 ] - [ 0.0018198800000000, 0.0000951400000000, -0.0005221700000000 ] - [ 0.0001751500000000, -0.0007935900000000, 0.0003009500000000 ] - [ -0.0006079500000000, 0.0008972700000000, 0.0005767600000000 ] - [ -0.0004105100000000, -0.0009462800000000, 0.0004545500000000 ] - [ 0.0000819500000000, -0.0021810600000000, 0.0009757400000000 ] - [ 0.0009640500000000, -0.0004810600000000, -0.0015245300000000 ] - [ 0.0004388600000000, 0.0011686000000000, -0.0007486900000000 ] - [ 0.0005258800000000, -0.0006700000000000, -0.0006890200000000 ] - [ -0.0005653900000000, -0.0003783800000000, 0.0009847100000000 ] - [ -0.0004124900000000, -0.0004193500000000, 0.0009306700000000 ] - [ -0.0000637600000000, 0.0010131600000000, -0.0001122100000000 ] - [ -0.0001364400000000, -0.0003307800000000, -0.0004068900000000 ] - [ -0.0002139600000000, 0.0008959700000000, 0.0000654100000000 ] - [ 0.0001781700000000, -0.0002818900000000, 0.0002363500000000 ] - [ 0.0001109900000000, 0.0002687400000000, 0.0005518400000000 ] - [ 0.0001750400000000, -0.0009513000000000, 0.0000104400000000 ] - [ -0.0012930300000000, -0.0001350700000000, -0.0003703800000000 ] - [ 0.0000657400000000, -0.0010070200000000, 0.0000160400000000 ] - [ 0.0052732000000000, -0.0034463100000000, 0.0008212600000000 ] - [ -0.0008704300000000, 0.0012988600000000, 0.0002400900000000 ] - [ -0.0013165200000000, -0.0021232500000000, -0.0053574200000000 ] - [ 0.0012794300000000, 0.0020017100000000, 0.0034969700000000 ] - [ 0.0017389200000000, -0.0016479100000000, -0.0000955100000000 ] - [ -0.0005146600000000, 0.0017724800000000, -0.0002281900000000 ] - [ -0.0046251500000000, 0.0035950300000000, -0.0021802400000000 ] - [ 0.0020625000000000, 0.0034986200000000, 0.0085121200000000 ] - [ 0.0017658000000000, 0.0012464800000000, -0.0000399900000000 ] - [ -0.0004191900000000, 0.0007355700000000, 0.0001851500000000 ] - [ -0.0009628300000000, -0.0027172700000000, -0.0004233300000000 ] - [ 0.0003539900000000, 0.0009225100000000, -0.0002047700000000 ] - [ 0.0034927500000000, 0.0045554400000000, -0.0005033000000000 ] - [ -0.0014199200000000, 0.0031219700000000, 0.0015809100000000 ] - [ -0.0009189800000000, -0.0016527700000000, 0.0003904700000000 ] - [ 0.0001872000000000, 0.0016137700000000, 0.0003855600000000 ] - [ 0.0039746600000000, -0.0153431000000000, -0.0008408400000000 ] - [ -0.0003230000000000, 0.0029822000000000, -0.0002516100000000 ] - [ -0.0004411900000000, -0.0165741300000000, 0.0001471400000000 ] - [ 0.0006264600000000, 0.0038573300000000, -0.0002813800000000 ] - [ -0.0038791300000000, -0.0030746100000000, 0.0007718900000000 ] - [ 0.0005500300000000, 0.0020943600000000, -0.0004389200000000 ] - [ -0.0006472500000000, -0.0032796300000000, 0.0045806600000000 ] - [ 0.0001054700000000, 0.0030704600000000, -0.0009487600000000 ] - [ -0.0002299900000000, -0.0021482200000000, -0.0008952000000000 ] - [ -0.0002382900000000, 0.0020078300000000, -0.0005989000000000 ] - [ -0.0132564500000000, -0.0311959300000000, 0.0091125300000000 ] - [ -0.0015307000000000, 0.0052059600000000, 0.0007055600000000 ] - [ 0.0016794100000000, -0.0016221200000000, -0.0036440800000000 ] - [ -0.0005666400000000, 0.0021002500000000, 0.0014089300000000 ] - [ -0.0043277900000000, -0.0079606700000000, 0.0054425200000000 ] - [ -0.0018527500000000, 0.0075777500000000, -0.0016840400000000 ] - [ -0.0012472900000000, -0.0004629400000000, 0.0002073100000000 ] - [ 0.0013383400000000, 0.0005610400000000, 0.0002453800000000 ] - [ 0.0011083200000000, -0.0001990000000000, 0.0004087700000000 ] - [ -0.0004430500000000, 0.0003799500000000, -0.0003154000000000 ] - [ -0.0017040400000000, -0.0011366700000000, -0.0017798400000000 ] - [ 0.0012541700000000, 0.0013933900000000, 0.0005515600000000 ] - [ 0.0005466800000000, -0.0002618600000000, 0.0008690400000000 ] - [ -0.0005339800000000, 0.0008907200000000, -0.0008934300000000 ] - [ -0.0001221700000000, -0.0011808900000000, -0.0006016300000000 ] - [ 0.0005676500000000, 0.0010097600000000, -0.0000097900000000 ] - [ 0.0008227300000000, -0.0011762500000000, 0.0008077800000000 ] - [ -0.0004817200000000, 0.0009040100000000, 0.0002858000000000 ] - [ -0.0001760800000000, -0.0013855100000000, 0.0004371600000000 ] - [ 0.0001848500000000, 0.0014374100000000, 0.0008832400000000 ] - [ 0.0004010600000000, -0.0010015800000000, -0.0001782400000000 ] - [ 0.0001097800000000, 0.0011962200000000, -0.0005526300000000 ]- atom: 1 displacement: [ -0.0053469176449015, 0.0000000000000000, 0.0084504716849795 ] forces: - [ 0.1250009500000000, 0.0179486200000000, -0.1200238700000000 ] - [ 0.0007926200000000, -0.0000320000000000, -0.0008886200000000 ] - [ -0.0099455200000000, -0.0007035100000000, 0.0271463200000000 ] - [ 0.0000111000000000, 0.0001339000000000, 0.0004148400000000 ] - [ -0.0146980800000000, 0.0172769100000000, 0.0168906000000000 ] - [ -0.0004707400000000, -0.0010584600000000, 0.0003800100000000 ] - [ -0.0033533000000000, -0.0015756800000000, 0.0057763000000000 ] - [ -0.0002576100000000, -0.0002216600000000, 0.0004042100000000 ] - [ -0.0015138900000000, 0.0013659600000000, 0.0002507600000000 ] - [ -0.0019357700000000, -0.0015736000000000, 0.0005502700000000 ] - [ 0.0005632800000000, 0.0005563800000000, 0.0009491900000000 ] - [ 0.0004866600000000, -0.0008180500000000, 0.0022078400000000 ] - [ -0.0009973500000000, 0.0057142500000000, -0.0033101800000000 ] - [ 0.0004282300000000, -0.0015532500000000, -0.0013570500000000 ] - [ 0.0011154000000000, 0.0041143900000000, -0.0003253800000000 ] - [ -0.0000222300000000, -0.0011867300000000, 0.0000210100000000 ] - [ 0.0057531800000000, 0.0019164700000000, 0.0027938700000000 ] - [ 0.0016013200000000, -0.0007272200000000, 0.0005267200000000 ] - [ 0.0019418000000000, 0.0001992800000000, 0.0002866300000000 ] - [ 0.0002762700000000, 0.0002528100000000, -0.0002114100000000 ] - [ -0.0058855000000000, 0.0010004000000000, -0.0101615600000000 ] - [ -0.0005203800000000, 0.0000664400000000, -0.0008059600000000 ] - [ 0.0013869000000000, -0.0002568500000000, -0.0003547500000000 ] - [ 0.0004653500000000, -0.0000487800000000, -0.0007080700000000 ] - [ -0.0012121900000000, 0.0002787000000000, -0.0023190400000000 ] - [ 0.0007510300000000, -0.0043016900000000, -0.0057348700000000 ] - [ -0.0002611500000000, 0.0004838100000000, -0.0019843800000000 ] - [ 0.0004402500000000, -0.0000977700000000, -0.0008050100000000 ] - [ 0.0043271200000000, -0.0063384900000000, 0.0033471100000000 ] - [ 0.0008044500000000, 0.0021117100000000, 0.0006151100000000 ] - [ 0.0003966700000000, -0.0002936900000000, -0.0002919900000000 ] - [ -0.0002118500000000, 0.0001903800000000, 0.0004797800000000 ] - [ 0.0038044000000000, -0.0071447800000000, 0.0004346700000000 ] - [ 0.0003389700000000, 0.0000387700000000, -0.0016286100000000 ] - [ -0.0034968100000000, -0.0115614900000000, -0.0005031600000000 ] - [ 0.0010987800000000, 0.0017750200000000, -0.0000282100000000 ] - [ -0.0006468900000000, -0.0007898400000000, 0.0065585200000000 ] - [ -0.0001365900000000, -0.0000357500000000, 0.0008066100000000 ] - [ -0.0104189100000000, 0.0007389400000000, 0.0071612600000000 ] - [ -0.0003973900000000, -0.0004851600000000, 0.0002227600000000 ] - [ -0.0005460500000000, 0.0000369300000000, -0.0001419200000000 ] - [ -0.0005412300000000, 0.0003137800000000, -0.0001266200000000 ] - [ -0.0003597000000000, 0.0001810500000000, 0.0001639200000000 ] - [ -0.0004020700000000, 0.0002039200000000, 0.0001293900000000 ] - [ -0.0007821500000000, 0.0000848300000000, 0.0003994400000000 ] - [ -0.0002874100000000, -0.0005098000000000, 0.0002683900000000 ] - [ 0.0006481500000000, 0.0000443500000000, -0.0009786000000000 ] - [ 0.0003866800000000, -0.0003309900000000, -0.0005169300000000 ] - [ -0.0011304100000000, -0.0015350700000000, -0.0066915000000000 ] - [ -0.0001267200000000, -0.0001945000000000, -0.0000329600000000 ] - [ 0.0033324900000000, -0.0019416500000000, 0.0068850400000000 ] - [ 0.0003020700000000, -0.0001669900000000, -0.0004064100000000 ] - [ -0.0010608300000000, 0.0007214800000000, -0.0011928500000000 ] - [ 0.0002227900000000, -0.0002914300000000, -0.0004714700000000 ] - [ -0.0011402700000000, -0.0011932500000000, 0.0027079500000000 ] - [ -0.0003705700000000, -0.0000856600000000, 0.0008328900000000 ] - [ -0.0019203600000000, -0.0002380000000000, 0.0010306100000000 ] - [ -0.0000991300000000, 0.0000891300000000, 0.0007160800000000 ] - [ -0.0021367900000000, -0.0002650200000000, 0.0025307200000000 ] - [ -0.0006892600000000, 0.0000392200000000, 0.0000007200000000 ] - [ -0.0021884100000000, -0.0008186000000000, -0.0003898400000000 ] - [ -0.0017448400000000, 0.0009004000000000, -0.0003149800000000 ] - [ -0.0097580800000000, 0.0007390200000000, 0.0093309800000000 ] - [ 0.0001949500000000, -0.0001885900000000, 0.0006213000000000 ] - [ -0.0019207600000000, -0.0003886800000000, 0.0003345500000000 ] - [ -0.0006913300000000, 0.0000567100000000, 0.0006984400000000 ] - [ -0.0001852400000000, -0.0021004600000000, 0.0005518300000000 ] - [ 0.0001439000000000, 0.0025811500000000, 0.0004222300000000 ] - [ 0.0000159300000000, -0.0000174100000000, 0.0005407400000000 ] - [ 0.0002980900000000, 0.0002359600000000, -0.0005731500000000 ] - [ -0.0006626400000000, -0.0002558900000000, 0.0034317200000000 ] - [ -0.0007596800000000, -0.0005105500000000, 0.0019868500000000 ] - [ -0.0019129900000000, 0.0010301200000000, 0.0001515900000000 ] - [ -0.0002722000000000, 0.0002676600000000, -0.0000048000000000 ] - [ -0.0015590800000000, -0.0001366300000000, -0.0000005600000000 ] - [ -0.0001150900000000, 0.0004143700000000, 0.0001265900000000 ] - [ 0.0003544700000000, -0.0012924300000000, 0.0004836800000000 ] - [ 0.0001352400000000, 0.0001673100000000, 0.0002559700000000 ] - [ 0.0008539900000000, -0.0008840400000000, -0.0010096800000000 ] - [ 0.0000696600000000, 0.0003344100000000, -0.0007445200000000 ] - [ -0.0054841700000000, 0.0028226800000000, 0.0030992600000000 ] - [ -0.0013692500000000, -0.0005058600000000, 0.0006662700000000 ] - [ -0.0030262300000000, 0.0006164100000000, -0.0064017500000000 ] - [ -0.0006122900000000, -0.0011886400000000, -0.0016671800000000 ] - [ 0.0040571900000000, -0.0006968600000000, 0.0012662500000000 ] - [ 0.0002399700000000, 0.0004379700000000, 0.0000325400000000 ] - [ -0.0025638500000000, 0.0037417400000000, 0.0031061400000000 ] - [ -0.0006112800000000, -0.0005324300000000, 0.0053746600000000 ] - [ 0.0043792300000000, 0.0040310200000000, -0.0023381000000000 ] - [ 0.0006397800000000, -0.0008119700000000, -0.0011178900000000 ] - [ 0.0013879300000000, 0.0020186500000000, -0.0025524800000000 ] - [ 0.0004708500000000, -0.0004969800000000, -0.0002859200000000 ] - [ 0.0025621700000000, 0.0049204300000000, -0.0001424200000000 ] - [ 0.0011144200000000, -0.0037067100000000, -0.0010525500000000 ] - [ 0.0064800900000000, 0.0019565600000000, -0.0002110200000000 ] - [ 0.0002960200000000, 0.0003680400000000, -0.0001307400000000 ] - [ -0.0378936800000000, 0.0011127200000000, 0.0174790100000000 ] - [ -0.0007637100000000, 0.0002284400000000, 0.0003348400000000 ] - [ -0.0117216200000000, -0.0000082200000000, 0.0188410600000000 ] - [ -0.0000792700000000, 0.0002666500000000, 0.0006908500000000 ] - [ 0.0081326400000000, -0.0034639100000000, -0.0039576700000000 ] - [ 0.0007617900000000, 0.0009598300000000, -0.0009258200000000 ] - [ -0.0016004100000000, -0.0018087800000000, -0.0087765500000000 ] - [ 0.0000532600000000, 0.0013460700000000, -0.0013149700000000 ] - [ 0.0057895700000000, -0.0033415200000000, -0.0120603900000000 ] - [ 0.0005946500000000, 0.0005488900000000, -0.0016074100000000 ] - [ -0.0332944700000000, -0.0201057400000000, 0.0307289700000000 ] - [ 0.0001267400000000, -0.0008629600000000, 0.0010168900000000 ] - [ 0.0015863900000000, 0.0060655000000000, -0.0050047200000000 ] - [ -0.0006098900000000, -0.0012542700000000, -0.0007358500000000 ] - [ -0.0107195400000000, -0.0030004700000000, 0.0143667800000000 ] - [ -0.0022812800000000, 0.0028546100000000, 0.0017023400000000 ] - [ 0.0007621100000000, -0.0008948800000000, 0.0010257300000000 ] - [ 0.0009808900000000, 0.0005868300000000, 0.0009571400000000 ] - [ 0.0009126000000000, 0.0004315800000000, -0.0011463200000000 ] - [ 0.0008149700000000, -0.0006083900000000, -0.0012411600000000 ] - [ -0.0002142700000000, -0.0012557600000000, 0.0032574200000000 ] - [ -0.0002944800000000, 0.0002321000000000, 0.0007334200000000 ] - [ -0.0005198000000000, -0.0016940900000000, -0.0014928400000000 ] - [ -0.0001038800000000, 0.0005594700000000, -0.0000756700000000 ] - [ -0.0007820100000000, -0.0000677500000000, 0.0002154100000000 ] - [ -0.0001714800000000, -0.0003251100000000, 0.0000984500000000 ] - [ 0.0006503500000000, 0.0007470700000000, 0.0008859900000000 ] - [ 0.0006086300000000, -0.0006136300000000, 0.0006673200000000 ] - [ -0.0001395200000000, 0.0000456100000000, 0.0005822300000000 ] - [ -0.0002478500000000, 0.0001890600000000, 0.0004613300000000 ] - [ 0.0021060900000000, -0.0005287600000000, -0.0005495400000000 ] - [ 0.0005981900000000, 0.0002309400000000, -0.0005884600000000 ]- atom: 1 displacement: [ 0.0053469176449015, 0.0000000000000000, -0.0084504716849795 ] forces: - [ -0.1250970400000000, -0.0190911500000000, 0.1198808900000000 ] - [ -0.0003987900000000, 0.0004440200000000, 0.0002529800000000 ] - [ 0.0094298600000000, 0.0010925400000000, -0.0261129100000000 ] - [ -0.0003976100000000, 0.0002861100000000, 0.0002031600000000 ] - [ 0.0144841200000000, -0.0179694800000000, -0.0164233200000000 ] - [ 0.0000703200000000, 0.0006576200000000, 0.0002557200000000 ] - [ 0.0037518100000000, 0.0011355300000000, -0.0064096100000000 ] - [ 0.0006451100000000, -0.0001808700000000, -0.0010342600000000 ] - [ 0.0007401000000000, -0.0014381700000000, 0.0003049000000000 ] - [ 0.0011772200000000, 0.0015243600000000, 0.0000136500000000 ] - [ 0.0002081600000000, -0.0006381700000000, -0.0014999700000000 ] - [ 0.0002874800000000, 0.0007587200000000, -0.0027756600000000 ] - [ 0.0018065500000000, -0.0056442700000000, 0.0027280500000000 ] - [ 0.0003519700000000, 0.0016307800000000, 0.0007925500000000 ] - [ -0.0018992200000000, -0.0040630600000000, 0.0008761400000000 ] - [ -0.0007580700000000, 0.0012800900000000, 0.0005289600000000 ] - [ -0.0048946900000000, -0.0019175800000000, -0.0018666900000000 ] - [ -0.0007554000000000, 0.0007429500000000, 0.0003468300000000 ] - [ -0.0028089100000000, -0.0001996300000000, -0.0011547100000000 ] - [ -0.0011153700000000, -0.0002399900000000, -0.0006473800000000 ] - [ 0.0049674200000000, -0.0010346900000000, 0.0093545200000000 ] - [ -0.0003381400000000, -0.0000667900000000, -0.0000662700000000 ] - [ -0.0005628600000000, 0.0002546700000000, 0.0012246900000000 ] - [ 0.0003783300000000, 0.0000465900000000, 0.0015747300000000 ] - [ 0.0001986900000000, -0.0004465500000000, 0.0034679000000000 ] - [ -0.0017795900000000, 0.0040620300000000, 0.0069471900000000 ] - [ 0.0012404300000000, -0.0006962900000000, 0.0008205000000000 ] - [ 0.0005436800000000, -0.0001134600000000, -0.0003625700000000 ] - [ -0.0034027500000000, 0.0065975200000000, -0.0045273900000000 ] - [ 0.0001680600000000, -0.0018514900000000, -0.0017181200000000 ] - [ -0.0013704400000000, 0.0004971100000000, 0.0014678100000000 ] - [ -0.0007723300000000, 0.0000292600000000, 0.0006815700000000 ] - [ -0.0040585800000000, 0.0078909600000000, -0.0009854200000000 ] - [ -0.0005897400000000, 0.0006565800000000, 0.0011592200000000 ] - [ 0.0037826400000000, 0.0122183600000000, 0.0009371500000000 ] - [ -0.0008340200000000, -0.0010660600000000, 0.0004914700000000 ] - [ 0.0008865500000000, 0.0000849100000000, -0.0061135300000000 ] - [ 0.0003856000000000, -0.0006456400000000, -0.0003318400000000 ] - [ 0.0102433800000000, -0.0014671900000000, -0.0076804200000000 ] - [ 0.0001384200000000, -0.0002046500000000, -0.0006904000000000 ] - [ 0.0009511500000000, 0.0003780400000000, -0.0004939600000000 ] - [ 0.0009330800000000, 0.0001022800000000, -0.0004948100000000 ] - [ -0.0000319900000000, 0.0002479300000000, 0.0004770600000000 ] - [ 0.0000069200000000, 0.0002189600000000, 0.0004941600000000 ] - [ 0.0003924600000000, -0.0004979100000000, 0.0002247200000000 ] - [ -0.0001086100000000, 0.0000897700000000, 0.0003581300000000 ] - [ -0.0002632700000000, -0.0004608900000000, 0.0003450300000000 ] - [ 0.0000000300000000, -0.0001038400000000, -0.0001101200000000 ] - [ 0.0003771500000000, 0.0014567900000000, 0.0072207700000000 ] - [ -0.0006557400000000, 0.0001389200000000, 0.0005960200000000 ] - [ -0.0025757300000000, 0.0018784500000000, -0.0074657200000000 ] - [ 0.0004811400000000, 0.0001100100000000, -0.0001552400000000 ] - [ 0.0018425400000000, -0.0006520000000000, 0.0006427800000000 ] - [ 0.0005561300000000, 0.0003553600000000, -0.0000871500000000 ] - [ 0.0003489000000000, 0.0012499000000000, -0.0021494700000000 ] - [ -0.0004083900000000, 0.0001562700000000, -0.0002726000000000 ] - [ 0.0027874900000000, 0.0002432800000000, -0.0001652400000000 ] - [ 0.0009541900000000, -0.0000803600000000, 0.0001487800000000 ] - [ 0.0013089500000000, 0.0002641800000000, -0.0034116800000000 ] - [ -0.0001527700000000, -0.0000295500000000, -0.0008676600000000 ] - [ 0.0013519800000000, 0.0008108500000000, -0.0004817700000000 ] - [ 0.0008932400000000, -0.0009038800000000, -0.0005539100000000 ] - [ 0.0105860800000000, -0.0007523300000000, -0.0084336000000000 ] - [ 0.0006548700000000, 0.0001827100000000, 0.0002493400000000 ] - [ 0.0009322400000000, 0.0001733800000000, 0.0008291400000000 ] - [ -0.0002975600000000, -0.0002659000000000, 0.0004678000000000 ] - [ 0.0011718400000000, 0.0019036800000000, -0.0017299800000000 ] - [ 0.0008407000000000, -0.0027803500000000, -0.0015942900000000 ] - [ 0.0009699600000000, 0.0002202000000000, -0.0017167700000000 ] - [ 0.0006834700000000, -0.0000192200000000, -0.0005932300000000 ] - [ -0.0003122500000000, 0.0004845300000000, -0.0022675200000000 ] - [ -0.0002170500000000, 0.0007199600000000, -0.0008115600000000 ] - [ 0.0016516400000000, -0.0003358600000000, -0.0006224500000000 ] - [ 0.0000143700000000, 0.0004280000000000, -0.0004620800000000 ] - [ 0.0018064800000000, 0.0008275600000000, 0.0004732100000000 ] - [ 0.0003741300000000, 0.0002804800000000, 0.0003452400000000 ] - [ -0.0001053200000000, 0.0006027100000000, -0.0000193900000000 ] - [ 0.0001226200000000, -0.0008664700000000, 0.0002064900000000 ] - [ -0.0010973500000000, 0.0001895100000000, 0.0005432000000000 ] - [ -0.0003252700000000, -0.0010303100000000, 0.0002761400000000 ] - [ 0.0053108200000000, -0.0034231300000000, -0.0025244700000000 ] - [ 0.0012473700000000, -0.0001134800000000, -0.0000821400000000 ] - [ 0.0031906600000000, -0.0012416500000000, 0.0058496900000000 ] - [ 0.0007344200000000, 0.0005678100000000, 0.0010518700000000 ] - [ -0.0039110600000000, 0.0013077200000000, -0.0018642500000000 ] - [ -0.0001055200000000, 0.0001681400000000, -0.0006199700000000 ] - [ 0.0024813500000000, -0.0031686600000000, -0.0025098800000000 ] - [ 0.0004835100000000, 0.0011522800000000, -0.0047841800000000 ] - [ -0.0045515800000000, -0.0046761000000000, 0.0029262800000000 ] - [ -0.0007704800000000, 0.0002046300000000, 0.0017036600000000 ] - [ -0.0012808600000000, -0.0026365800000000, 0.0019878800000000 ] - [ -0.0003506400000000, -0.0001218100000000, -0.0002941000000000 ] - [ -0.0024583400000000, -0.0043267100000000, -0.0004383900000000 ] - [ -0.0009868100000000, 0.0043090800000000, 0.0004842900000000 ] - [ -0.0065811800000000, -0.0013333500000000, 0.0007991500000000 ] - [ -0.0004232300000000, 0.0002400200000000, 0.0007166800000000 ] - [ 0.0352212700000000, -0.0009486900000000, -0.0170792100000000 ] - [ 0.0004673300000000, -0.0003309600000000, -0.0002633100000000 ] - [ 0.0124944200000000, 0.0000627600000000, -0.0181768000000000 ] - [ 0.0003720000000000, -0.0003609800000000, -0.0007521700000000 ] - [ -0.0078635700000000, 0.0035917500000000, 0.0038770900000000 ] - [ -0.0004640900000000, -0.0008988700000000, 0.0008578500000000 ] - [ 0.0013547300000000, 0.0019337300000000, 0.0088413800000000 ] - [ -0.0003469800000000, -0.0012863900000000, 0.0013862200000000 ] - [ -0.0056099800000000, 0.0030852000000000, 0.0110963900000000 ] - [ -0.0004261700000000, -0.0008027000000000, 0.0006335400000000 ] - [ 0.0355296700000000, 0.0216003900000000, -0.0314070800000000 ] - [ -0.0002776500000000, 0.0005900100000000, -0.0000451200000000 ] - [ -0.0017866300000000, -0.0057774500000000, 0.0060275600000000 ] - [ 0.0004307900000000, 0.0014816500000000, 0.0017238200000000 ] - [ 0.0109192000000000, 0.0029583400000000, -0.0154759100000000 ] - [ 0.0024376200000000, -0.0026175700000000, -0.0027054300000000 ] - [ -0.0010466600000000, 0.0008188400000000, -0.0009679800000000 ] - [ -0.0012777400000000, -0.0006775800000000, -0.0008992500000000 ] - [ -0.0006210300000000, -0.0005000000000000, 0.0010806600000000 ] - [ -0.0005196700000000, 0.0005160300000000, 0.0011818100000000 ] - [ 0.0005021500000000, 0.0013357800000000, -0.0033262500000000 ] - [ 0.0005823700000000, -0.0001546900000000, -0.0008060000000000 ] - [ 0.0002251900000000, 0.0017855800000000, 0.0015688600000000 ] - [ -0.0001899700000000, -0.0004823200000000, 0.0001503000000000 ] - [ 0.0009593900000000, -0.0001690400000000, -0.0012011300000000 ] - [ 0.0003355400000000, 0.0000702500000000, -0.0010832900000000 ] - [ -0.0008285900000000, -0.0009830700000000, 0.0001063100000000 ] - [ -0.0007776100000000, 0.0003634900000000, 0.0003139300000000 ] - [ -0.0000244900000000, 0.0002032800000000, 0.0003948900000000 ] - [ 0.0000781200000000, 0.0000506200000000, 0.0005203400000000 ] - [ -0.0019386700000000, 0.0007734100000000, -0.0004277100000000 ] - [ -0.0004334300000000, 0.0000106600000000, -0.0003943300000000 ]- atom: 9 displacement: [ 0.0099999779436379, 0.0000000000000000, 0.0000210030177685 ] forces: - [ 0.0008368000000000, -0.0005141700000000, -0.0012387700000000 ] - [ 0.0014289000000000, 0.0012010800000000, -0.0013713300000000 ] - [ -0.0005113300000000, 0.0000310500000000, 0.0003230400000000 ] - [ -0.0003279800000000, 0.0004539100000000, 0.0003551600000000 ] - [ 0.0035962800000000, -0.0052113000000000, 0.0010481200000000 ] - [ 0.0000421700000000, 0.0007793000000000, 0.0005060200000000 ] - [ 0.0002206900000000, -0.0006285100000000, 0.0014782400000000 ] - [ 0.0002962100000000, 0.0003228300000000, 0.0001876100000000 ] - [ -0.0780827900000000, 0.0494593100000000, 0.0203781400000000 ] - [ -0.0011193400000000, -0.0001084600000000, -0.0004385700000000 ] - [ 0.0015303200000000, 0.0000202900000000, 0.0016302000000000 ] - [ 0.0007101300000000, -0.0001901900000000, 0.0001819400000000 ] - [ 0.0007118600000000, -0.0000672700000000, -0.0000686900000000 ] - [ 0.0013458700000000, 0.0000690900000000, 0.0001294300000000 ] - [ -0.0006875900000000, -0.0000060500000000, -0.0001409600000000 ] - [ -0.0014613000000000, 0.0004018800000000, -0.0024346200000000 ] - [ 0.0021528300000000, -0.0002871900000000, 0.0010122800000000 ] - [ 0.0011369700000000, -0.0000941400000000, 0.0006377900000000 ] - [ 0.0002104000000000, 0.0000437400000000, -0.0002113400000000 ] - [ 0.0014466400000000, 0.0002198000000000, 0.0006192300000000 ] - [ -0.0017194300000000, 0.0002135900000000, -0.0009436200000000 ] - [ -0.0020480500000000, 0.0012601200000000, -0.0020443900000000 ] - [ -0.0032555900000000, -0.0004459000000000, -0.0006094800000000 ] - [ -0.0000337000000000, -0.0001795700000000, 0.0001514900000000 ] - [ 0.0037084200000000, -0.0001274300000000, -0.0048724800000000 ] - [ -0.0006363000000000, -0.0003982700000000, -0.0000049800000000 ] - [ 0.0001753900000000, 0.0007132800000000, -0.0004704900000000 ] - [ -0.0002821400000000, -0.0012602100000000, -0.0003271100000000 ] - [ 0.0008750800000000, -0.0001205500000000, -0.0003529700000000 ] - [ 0.0033056000000000, 0.0007798900000000, 0.0009303100000000 ] - [ 0.0000289200000000, 0.0004502500000000, 0.0010407700000000 ] - [ -0.0001903000000000, -0.0002976200000000, 0.0010184800000000 ] - [ -0.0004351000000000, -0.0005237400000000, -0.0015764600000000 ] - [ -0.0003454100000000, 0.0004021200000000, -0.0005951700000000 ] - [ 0.0011630600000000, 0.0003932600000000, 0.0000344900000000 ] - [ 0.0004929300000000, 0.0004554900000000, 0.0002504400000000 ] - [ 0.0006259700000000, -0.0010399700000000, 0.0008196700000000 ] - [ 0.0007156300000000, 0.0002215400000000, 0.0011937400000000 ] - [ -0.0001350200000000, -0.0044376200000000, -0.0004254000000000 ] - [ -0.0059972600000000, 0.0120648300000000, 0.0050101400000000 ] - [ 0.0050169600000000, 0.0008501100000000, 0.0018162700000000 ] - [ 0.0000161900000000, 0.0000429000000000, -0.0001093400000000 ] - [ 0.0026436500000000, -0.0007527100000000, 0.0056254300000000 ] - [ -0.0000963200000000, 0.0001257800000000, 0.0002655400000000 ] - [ -0.0000172800000000, -0.0002326800000000, 0.0002267200000000 ] - [ 0.0022005600000000, -0.0001021500000000, 0.0001110900000000 ] - [ 0.0002622200000000, -0.0002299400000000, -0.0002495700000000 ] - [ 0.0016307700000000, -0.0003343300000000, -0.0002803800000000 ] - [ 0.0001877600000000, 0.0000219300000000, 0.0005891200000000 ] - [ 0.0001862700000000, -0.0002456600000000, 0.0006543300000000 ] - [ 0.0002075500000000, 0.0004953000000000, -0.0010940200000000 ] - [ 0.0002163800000000, -0.0009817300000000, -0.0018467800000000 ] - [ -0.0038200100000000, 0.0055962200000000, 0.0005217400000000 ] - [ -0.0007918400000000, -0.0006781700000000, -0.0010161600000000 ] - [ 0.0003878000000000, 0.0004395500000000, 0.0013550800000000 ] - [ 0.0000523000000000, -0.0002937700000000, 0.0010386200000000 ] - [ -0.0005406500000000, 0.0001480600000000, 0.0002886100000000 ] - [ 0.0163285800000000, -0.0171404100000000, -0.0132500400000000 ] - [ -0.0022902900000000, 0.0021520200000000, -0.0026000300000000 ] - [ -0.0017708500000000, -0.0005295700000000, -0.0006825100000000 ] - [ 0.0013167200000000, 0.0000172600000000, -0.0000229400000000 ] - [ 0.0001397400000000, -0.0002335000000000, -0.0001224000000000 ] - [ 0.0010875300000000, 0.0000919200000000, 0.0008047500000000 ] - [ 0.0014157400000000, 0.0001054700000000, 0.0008829000000000 ] - [ -0.0000814600000000, 0.0006819900000000, 0.0011761900000000 ] - [ 0.0003520100000000, -0.0011046300000000, 0.0013538300000000 ] - [ 0.0009396300000000, -0.0001476700000000, -0.0002381600000000 ] - [ 0.0006342200000000, -0.0002503200000000, -0.0002955600000000 ] - [ 0.0005340900000000, 0.0010922500000000, -0.0008360000000000 ] - [ 0.0014596700000000, -0.0025773000000000, -0.0006734200000000 ] - [ -0.0009215900000000, -0.0003406500000000, 0.0008595600000000 ] - [ -0.0086125200000000, 0.0009249200000000, 0.0050904500000000 ] - [ 0.0000551800000000, 0.0004651700000000, 0.0000356300000000 ] - [ 0.0008170000000000, -0.0002698000000000, 0.0006682000000000 ] - [ -0.0000016600000000, 0.0008623200000000, 0.0001862200000000 ] - [ -0.0010260700000000, -0.0039031900000000, 0.0035953500000000 ] - [ 0.0003121500000000, 0.0006491600000000, -0.0004397000000000 ] - [ 0.0001502700000000, -0.0009961100000000, -0.0001573700000000 ] - [ 0.0009661600000000, 0.0000566400000000, -0.0001973500000000 ] - [ 0.0002133200000000, -0.0004895200000000, -0.0001444400000000 ] - [ -0.0018803500000000, -0.0005909500000000, -0.0002882100000000 ] - [ -0.0009367200000000, -0.0000549100000000, -0.0001130300000000 ] - [ -0.0008439900000000, 0.0001431600000000, -0.0007176900000000 ] - [ -0.0022050900000000, -0.0010885000000000, -0.0033755400000000 ] - [ 0.0015119000000000, -0.0006422400000000, -0.0002122500000000 ] - [ 0.0045794200000000, 0.0023025300000000, 0.0005831800000000 ] - [ 0.0021181500000000, 0.0016220600000000, 0.0060530200000000 ] - [ 0.0005209200000000, 0.0003763900000000, 0.0009143800000000 ] - [ 0.0019510100000000, 0.0007024900000000, 0.0002344400000000 ] - [ 0.0533312500000000, -0.0409920100000000, -0.0401760600000000 ] - [ -0.0001536700000000, -0.0018680900000000, 0.0009828800000000 ] - [ 0.0007562800000000, 0.0019879400000000, 0.0011986200000000 ] - [ -0.0016975500000000, 0.0002517200000000, -0.0008287200000000 ] - [ -0.0006111600000000, 0.0003782400000000, -0.0005595600000000 ] - [ -0.0008532900000000, -0.0000537300000000, -0.0005764100000000 ] - [ -0.0014796100000000, 0.0009321700000000, -0.0007968400000000 ] - [ -0.0011383100000000, 0.0002338700000000, -0.0001502800000000 ] - [ -0.0015593800000000, -0.0001091000000000, -0.0001753800000000 ] - [ 0.0009387300000000, 0.0003831000000000, 0.0011449800000000 ] - [ 0.0008375800000000, -0.0007707300000000, 0.0022298100000000 ] - [ 0.0111150500000000, -0.0008777600000000, 0.0021603600000000 ] - [ 0.0020430500000000, -0.0017589400000000, 0.0007828100000000 ] - [ -0.0026646300000000, 0.0004288200000000, -0.0030510600000000 ] - [ -0.0010439100000000, -0.0003991300000000, -0.0007512600000000 ] - [ 0.0001367900000000, 0.0005461500000000, -0.0015312900000000 ] - [ -0.0004630400000000, -0.0007705800000000, -0.0028049000000000 ] - [ -0.0004280700000000, 0.0019888300000000, 0.0018074700000000 ] - [ -0.0072214900000000, -0.0095353100000000, 0.0022955900000000 ] - [ 0.0011383400000000, 0.0007739500000000, 0.0006311200000000 ] - [ 0.0004042800000000, 0.0001381600000000, 0.0005123800000000 ] - [ -0.0043043800000000, 0.0018636900000000, 0.0009290400000000 ] - [ -0.0004020700000000, -0.0002723300000000, -0.0003557700000000 ] - [ 0.0174998400000000, 0.0052721300000000, 0.0149635200000000 ] - [ 0.0004971100000000, 0.0001687700000000, 0.0005206500000000 ] - [ -0.0032724000000000, -0.0008789600000000, -0.0024793600000000 ] - [ -0.0002572300000000, 0.0001922000000000, -0.0005843800000000 ] - [ -0.0005086000000000, 0.0001152600000000, -0.0002648400000000 ] - [ -0.0021724900000000, 0.0003198100000000, -0.0006658000000000 ] - [ 0.0002724600000000, -0.0000847400000000, 0.0003436700000000 ] - [ -0.0048788000000000, -0.0003673100000000, 0.0049458900000000 ] - [ 0.0010512200000000, -0.0012029900000000, -0.0009507600000000 ] - [ -0.0000519800000000, 0.0004545300000000, -0.0003907700000000 ] - [ -0.0030090600000000, -0.0020656300000000, 0.0009934200000000 ] - [ -0.0007140000000000, 0.0009328600000000, 0.0001133200000000 ] - [ -0.0004733200000000, -0.0003034800000000, 0.0001490200000000 ] - [ -0.0006303100000000, 0.0016271900000000, -0.0011129200000000 ] - [ 0.0002768100000000, -0.0006698800000000, -0.0005155200000000 ] - [ -0.0043736700000000, 0.0042176200000000, -0.0047603500000000 ]- atom: 9 displacement: [ -0.0099999779436379, 0.0000000000000000, -0.0000210030177685 ] forces: - [ -0.0004491800000000, 0.0009355400000000, 0.0006138300000000 ] - [ -0.0010485800000000, -0.0007984100000000, 0.0007421500000000 ] - [ 0.0001281000000000, 0.0003830500000000, 0.0003032000000000 ] - [ -0.0000673000000000, -0.0000263000000000, 0.0002781000000000 ] - [ -0.0040002100000000, 0.0048529100000000, -0.0004240900000000 ] - [ -0.0004294200000000, -0.0012012600000000, 0.0001210600000000 ] - [ 0.0001977200000000, 0.0002027800000000, -0.0021001000000000 ] - [ 0.0000978700000000, -0.0007305800000000, -0.0008094400000000 ] - [ 0.0776084400000000, -0.0492766900000000, -0.0202957000000000 ] - [ 0.0003501100000000, 0.0000381400000000, 0.0009948400000000 ] - [ -0.0007631500000000, -0.0000976900000000, -0.0021991100000000 ] - [ 0.0000600900000000, 0.0001182400000000, -0.0007459100000000 ] - [ 0.0000582800000000, 0.0001313500000000, -0.0004990600000000 ] - [ -0.0005826700000000, 0.0000022700000000, -0.0006949900000000 ] - [ -0.0000856900000000, 0.0000732300000000, 0.0007060600000000 ] - [ 0.0006870600000000, -0.0003347900000000, 0.0030200900000000 ] - [ -0.0012960800000000, 0.0002919300000000, -0.0001469300000000 ] - [ -0.0002668600000000, 0.0000952600000000, 0.0002337200000000 ] - [ -0.0010612100000000, -0.0000383800000000, -0.0006527800000000 ] - [ -0.0023038800000000, -0.0002188000000000, -0.0014882400000000 ] - [ 0.0008548000000000, -0.0002124200000000, 0.0000748700000000 ] - [ 0.0011887900000000, -0.0012712600000000, 0.0011747800000000 ] - [ 0.0040998800000000, 0.0004489400000000, 0.0014929600000000 ] - [ 0.0009000000000000, 0.0001821000000000, 0.0007133200000000 ] - [ -0.0047465100000000, -0.0000848800000000, 0.0060772000000000 ] - [ -0.0003460300000000, 0.0001865300000000, 0.0011636500000000 ] - [ 0.0008095800000000, -0.0009218900000000, -0.0006849100000000 ] - [ 0.0012653700000000, 0.0010352000000000, -0.0008270200000000 ] - [ 0.0001020100000000, 0.0003362700000000, -0.0008081100000000 ] - [ -0.0023554600000000, -0.0005732100000000, -0.0020944200000000 ] - [ -0.0010042900000000, -0.0002277400000000, 0.0001158400000000 ] - [ -0.0007910300000000, 0.0005167100000000, 0.0001321300000000 ] - [ 0.0001599800000000, 0.0012403700000000, 0.0011269300000000 ] - [ 0.0000850600000000, 0.0002892300000000, 0.0001300200000000 ] - [ -0.0008999800000000, 0.0003090700000000, 0.0004382900000000 ] - [ -0.0002157700000000, 0.0002598900000000, 0.0002086600000000 ] - [ -0.0003548400000000, 0.0003383900000000, -0.0003546200000000 ] - [ -0.0004413900000000, -0.0009339000000000, -0.0007412400000000 ] - [ -0.0001386100000000, 0.0036920300000000, -0.0000352600000000 ] - [ 0.0057964800000000, -0.0126910800000000, -0.0054357100000000 ] - [ -0.0045662900000000, -0.0004273600000000, -0.0024285800000000 ] - [ 0.0003710000000000, 0.0003814700000000, -0.0005108000000000 ] - [ -0.0030207200000000, 0.0011858100000000, -0.0049842200000000 ] - [ -0.0002950200000000, 0.0003022300000000, 0.0003549800000000 ] - [ -0.0003706100000000, -0.0001880200000000, 0.0003998600000000 ] - [ -0.0025918400000000, -0.0003304400000000, 0.0005174000000000 ] - [ 0.0001245900000000, -0.0001925500000000, -0.0003852900000000 ] - [ -0.0012384800000000, -0.0001116300000000, -0.0003482600000000 ] - [ -0.0009554800000000, -0.0000816000000000, -0.0000168200000000 ] - [ -0.0009568200000000, 0.0001834900000000, -0.0000854800000000 ] - [ 0.0005522200000000, -0.0005562500000000, 0.0005319800000000 ] - [ 0.0005579000000000, 0.0009188900000000, 0.0012735500000000 ] - [ 0.0045746300000000, -0.0055333800000000, -0.0011221600000000 ] - [ 0.0015597100000000, 0.0007313800000000, 0.0004353200000000 ] - [ -0.0011606300000000, -0.0003696400000000, -0.0007887600000000 ] - [ -0.0008214400000000, 0.0003522200000000, -0.0004644100000000 ] - [ 0.0013846100000000, -0.0001448200000000, 0.0005735300000000 ] - [ -0.0152632500000000, 0.0168818700000000, 0.0139319100000000 ] - [ 0.0014172000000000, -0.0021488900000000, 0.0017220800000000 ] - [ 0.0008965100000000, 0.0005257000000000, -0.0001816100000000 ] - [ -0.0021645800000000, -0.0000212700000000, -0.0008431400000000 ] - [ -0.0009987300000000, 0.0002277800000000, -0.0007409700000000 ] - [ -0.0002267000000000, -0.0000931500000000, 0.0000616900000000 ] - [ -0.0005413500000000, -0.0001082000000000, -0.0000034600000000 ] - [ -0.0008985800000000, -0.0008911700000000, -0.0000161600000000 ] - [ -0.0013369500000000, 0.0008807900000000, -0.0001994300000000 ] - [ 0.0000496200000000, -0.0000655500000000, -0.0008976200000000 ] - [ 0.0003447900000000, 0.0000272400000000, -0.0008499600000000 ] - [ 0.0004408600000000, -0.0008775400000000, -0.0003294200000000 ] - [ -0.0004793300000000, 0.0027892800000000, -0.0004745300000000 ] - [ -0.0000597300000000, 0.0005538300000000, 0.0003049200000000 ] - [ 0.0076371700000000, -0.0006534400000000, -0.0037915900000000 ] - [ -0.0003179400000000, 0.0002384700000000, -0.0005002700000000 ] - [ -0.0010843400000000, 0.0009702200000000, -0.0011288000000000 ] - [ 0.0002664300000000, -0.0001596900000000, 0.0002714700000000 ] - [ 0.0012766200000000, 0.0045959800000000, -0.0031286600000000 ] - [ -0.0000652200000000, -0.0013380500000000, 0.0009045400000000 ] - [ 0.0001198500000000, 0.0002781700000000, 0.0006157100000000 ] - [ -0.0012247400000000, -0.0007584800000000, -0.0002628300000000 ] - [ -0.0004707400000000, -0.0002116800000000, -0.0003199000000000 ] - [ 0.0017643700000000, -0.0000282200000000, 0.0008747700000000 ] - [ 0.0008193400000000, -0.0005552100000000, 0.0006995300000000 ] - [ 0.0009655400000000, -0.0007613800000000, 0.0001327500000000 ] - [ 0.0023268500000000, 0.0004904600000000, 0.0028092900000000 ] - [ -0.0014011400000000, 0.0012550700000000, -0.0003623700000000 ] - [ -0.0044654800000000, -0.0016893900000000, -0.0011576100000000 ] - [ -0.0022330200000000, -0.0010107400000000, -0.0054927600000000 ] - [ -0.0006391500000000, 0.0002367000000000, -0.0003295100000000 ] - [ -0.0020577900000000, -0.0013139100000000, 0.0003489300000000 ] - [ -0.0540533600000000, 0.0401931500000000, 0.0405755300000000 ] - [ 0.0002884700000000, 0.0012500400000000, -0.0015639000000000 ] - [ -0.0006302700000000, -0.0025921000000000, -0.0017826200000000 ] - [ 0.0018122600000000, 0.0003698900000000, 0.0002271900000000 ] - [ 0.0007303500000000, 0.0002367900000000, -0.0000301800000000 ] - [ 0.0007295400000000, 0.0006634800000000, 0.0011611800000000 ] - [ 0.0013535600000000, -0.0003151100000000, 0.0013824600000000 ] - [ 0.0008485700000000, -0.0003306400000000, 0.0002184600000000 ] - [ 0.0012721300000000, 0.0000073000000000, 0.0002362600000000 ] - [ -0.0006464900000000, -0.0004785900000000, -0.0012216000000000 ] - [ -0.0005318300000000, 0.0006963300000000, -0.0023027300000000 ] - [ -0.0107767700000000, 0.0009060300000000, -0.0021685700000000 ] - [ -0.0017407000000000, 0.0018114200000000, -0.0008417200000000 ] - [ 0.0023690700000000, -0.0003415100000000, 0.0031378200000000 ] - [ 0.0007379200000000, 0.0004856300000000, 0.0008252200000000 ] - [ 0.0000209100000000, -0.0007955700000000, 0.0005498100000000 ] - [ 0.0005906800000000, 0.0004906200000000, 0.0017881400000000 ] - [ 0.0002601400000000, -0.0022574100000000, -0.0008315700000000 ] - [ 0.0070816200000000, 0.0093812600000000, -0.0013130700000000 ] - [ -0.0012859800000000, -0.0004804600000000, 0.0003227300000000 ] - [ -0.0005659700000000, 0.0001068700000000, 0.0004669000000000 ] - [ 0.0044894900000000, -0.0016278200000000, -0.0019234200000000 ] - [ 0.0005505000000000, 0.0005313200000000, -0.0006272800000000 ] - [ -0.0177174800000000, -0.0052406300000000, -0.0143026300000000 ] - [ -0.0007866000000000, -0.0002642700000000, -0.0004371100000000 ] - [ 0.0035530100000000, 0.0007977400000000, 0.0023973400000000 ] - [ 0.0005442100000000, -0.0002863800000000, 0.0005166700000000 ] - [ 0.0007924600000000, -0.0000395000000000, 0.0001933900000000 ] - [ 0.0024609400000000, -0.0002279400000000, 0.0005891200000000 ] - [ -0.0005542700000000, 0.0001747600000000, -0.0002777700000000 ] - [ 0.0045783400000000, 0.0004549700000000, -0.0048720000000000 ] - [ -0.0008862700000000, 0.0009568700000000, -0.0000461400000000 ] - [ 0.0002098100000000, -0.0007113700000000, -0.0005980100000000 ] - [ 0.0028218400000000, 0.0018074700000000, 0.0000042300000000 ] - [ 0.0005472600000000, -0.0011817400000000, 0.0008686100000000 ] - [ 0.0003000900000000, 0.0005450600000000, 0.0008322800000000 ] - [ 0.0004625800000000, -0.0013718200000000, 0.0021045000000000 ] - [ -0.0001051800000000, 0.0009116300000000, -0.0004619600000000 ] - [ 0.0045301900000000, -0.0039413700000000, 0.0037615500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011146600000000, 0.0003727400000000, 0.0005234200000000 ] - [ 0.0017830100000000, 0.0010311700000000, -0.0011462400000000 ] - [ -0.0003032800000000, 0.0002925900000000, -0.0004705600000000 ] - [ -0.0002201300000000, 0.0007495900000000, 0.0012314600000000 ] - [ -0.0097964500000000, 0.0016599800000000, 0.0010047600000000 ] - [ 0.0020872500000000, 0.0020217400000000, -0.0001136100000000 ] - [ -0.0022958900000000, -0.0013444200000000, -0.0067665000000000 ] - [ 0.0011182900000000, 0.0025168000000000, 0.0017230100000000 ] - [ 0.0484229800000000, -0.2263801900000000, -0.1179989800000000 ] - [ -0.0004523200000000, 0.0047483800000000, 0.0003624900000000 ] - [ 0.0003184800000000, -0.0019313000000000, -0.0000281700000000 ] - [ 0.0005365700000000, 0.0013945600000000, -0.0004620300000000 ] - [ 0.0002846500000000, 0.0008423600000000, -0.0001792300000000 ] - [ 0.0004135800000000, -0.0008304800000000, -0.0003379400000000 ] - [ -0.0003437500000000, 0.0012325300000000, 0.0002216400000000 ] - [ -0.0007528900000000, -0.0015635000000000, 0.0012705500000000 ] - [ -0.0007857200000000, -0.0005516900000000, 0.0005837100000000 ] - [ 0.0008777000000000, 0.0005092100000000, 0.0003263300000000 ] - [ -0.0005573000000000, 0.0005149400000000, -0.0002815900000000 ] - [ -0.0004073500000000, -0.0006695900000000, -0.0004234900000000 ] - [ -0.0025012300000000, 0.0015893700000000, 0.0010926900000000 ] - [ 0.0008678800000000, 0.0011722300000000, -0.0025463200000000 ] - [ -0.0007813300000000, -0.0016936700000000, 0.0017373500000000 ] - [ 0.0005522600000000, 0.0010193300000000, 0.0005302700000000 ] - [ 0.0005790800000000, -0.0035000200000000, -0.0004214700000000 ] - [ -0.0008570700000000, 0.0017593200000000, 0.0010484300000000 ] - [ 0.0007974200000000, 0.0002058000000000, 0.0024514700000000 ] - [ 0.0003276300000000, 0.0013366800000000, -0.0021942000000000 ] - [ 0.0000359400000000, 0.0018807600000000, -0.0005228100000000 ] - [ 0.0013224600000000, -0.0024774400000000, -0.0005659400000000 ] - [ -0.0005201000000000, -0.0000152200000000, 0.0009674800000000 ] - [ -0.0004995700000000, 0.0004658900000000, 0.0003872200000000 ] - [ 0.0000157800000000, -0.0010615300000000, -0.0005713600000000 ] - [ -0.0004388600000000, 0.0016601500000000, 0.0000174100000000 ] - [ -0.0005983800000000, -0.0005340300000000, 0.0004984800000000 ] - [ 0.0005662300000000, 0.0012314200000000, 0.0002154500000000 ] - [ -0.0010096800000000, 0.0009608800000000, -0.0003450000000000 ] - [ 0.0023189500000000, -0.0009714000000000, 0.0008972400000000 ] - [ -0.0003919200000000, 0.0133375600000000, -0.0003310900000000 ] - [ 0.0064259600000000, 0.0289263500000000, 0.0175717700000000 ] - [ 0.0017789700000000, -0.0026713800000000, -0.0010785700000000 ] - [ 0.0004263800000000, 0.0014974500000000, -0.0003648900000000 ] - [ 0.0014066300000000, -0.0013933700000000, 0.0035731000000000 ] - [ -0.0002877800000000, 0.0013788100000000, 0.0004167100000000 ] - [ 0.0003121700000000, 0.0008088400000000, 0.0002528100000000 ] - [ -0.0021509200000000, -0.0016986000000000, -0.0001001000000000 ] - [ 0.0002112500000000, 0.0007236500000000, -0.0001646700000000 ] - [ -0.0015116400000000, -0.0014768200000000, 0.0000490300000000 ] - [ -0.0005970900000000, 0.0000650600000000, 0.0001722900000000 ] - [ -0.0003351900000000, 0.0000688700000000, 0.0005179500000000 ] - [ 0.0013344100000000, 0.0006380700000000, -0.0004050400000000 ] - [ -0.0001384200000000, 0.0006442600000000, 0.0001803100000000 ] - [ 0.0059883200000000, 0.0180027700000000, 0.0147316300000000 ] - [ -0.0003147100000000, 0.0028003100000000, -0.0017825000000000 ] - [ -0.0007935900000000, -0.0002431100000000, -0.0003950400000000 ] - [ -0.0000620500000000, 0.0006362300000000, 0.0004724100000000 ] - [ 0.0015536700000000, 0.0013650500000000, 0.0002055500000000 ] - [ -0.0185646000000000, 0.0057745500000000, 0.0107654900000000 ] - [ 0.0046239300000000, -0.0003458700000000, -0.0061866200000000 ] - [ -0.0011761100000000, 0.0016710800000000, 0.0004716600000000 ] - [ -0.0001144900000000, -0.0006826200000000, -0.0004289300000000 ] - [ -0.0005612800000000, 0.0006065900000000, -0.0005850000000000 ] - [ 0.0001293300000000, 0.0003116300000000, -0.0000320400000000 ] - [ 0.0009910500000000, 0.0000695500000000, 0.0010495000000000 ] - [ -0.0001183800000000, -0.0003727800000000, 0.0005599700000000 ] - [ -0.0009198900000000, 0.0007831600000000, 0.0002404800000000 ] - [ 0.0005396400000000, -0.0021206300000000, 0.0004272100000000 ] - [ 0.0006341800000000, 0.0013202100000000, -0.0009296400000000 ] - [ 0.0021104900000000, 0.0000189100000000, -0.0005837500000000 ] - [ -0.0008148300000000, 0.0021293100000000, -0.0008767900000000 ] - [ 0.0000639300000000, 0.0031384000000000, -0.0007604800000000 ] - [ -0.0005846400000000, -0.0080613800000000, 0.0079603900000000 ] - [ 0.0000015900000000, 0.0010919900000000, -0.0001529100000000 ] - [ -0.0005226900000000, -0.0006150000000000, -0.0007280400000000 ] - [ 0.0011303100000000, 0.0046651300000000, 0.0017613300000000 ] - [ -0.0033854200000000, 0.0016236700000000, -0.0065998800000000 ] - [ 0.0009747700000000, -0.0027668200000000, 0.0004205900000000 ] - [ -0.0004266000000000, 0.0012309600000000, 0.0004028000000000 ] - [ -0.0004452300000000, -0.0013783800000000, -0.0000858500000000 ] - [ -0.0000375000000000, 0.0004424800000000, -0.0002595300000000 ] - [ 0.0007678800000000, 0.0001844400000000, 0.0000925700000000 ] - [ -0.0003812200000000, -0.0009342300000000, 0.0002957800000000 ] - [ 0.0007049600000000, -0.0022900400000000, -0.0000481700000000 ] - [ -0.0008748700000000, 0.0021625100000000, -0.0007020900000000 ] - [ 0.0023242400000000, -0.0054712900000000, -0.0076613600000000 ] - [ -0.0000864600000000, -0.0036433200000000, 0.0028330800000000 ] - [ 0.0012823000000000, 0.0038413500000000, 0.0001549100000000 ] - [ 0.0000166000000000, -0.0018411000000000, 0.0000550000000000 ] - [ -0.0032373400000000, -0.0066254500000000, 0.0006980000000000 ] - [ -0.0361825300000000, 0.1228669700000000, 0.0893337400000000 ] - [ -0.0050322000000000, 0.0001713200000000, -0.0000414800000000 ] - [ 0.0015777500000000, -0.0027835200000000, -0.0009323400000000 ] - [ 0.0000944500000000, 0.0020741800000000, -0.0005390300000000 ] - [ 0.0000221800000000, -0.0010708800000000, -0.0002967300000000 ] - [ 0.0001989200000000, -0.0000300600000000, 0.0004534100000000 ] - [ -0.0004309000000000, 0.0002302800000000, 0.0005577500000000 ] - [ 0.0006231300000000, -0.0005369500000000, 0.0004721800000000 ] - [ -0.0009026300000000, 0.0002443700000000, -0.0005973600000000 ] - [ 0.0008651000000000, -0.0007084500000000, -0.0005295200000000 ] - [ -0.0006250500000000, -0.0000225100000000, 0.0001601400000000 ] - [ -0.0003556800000000, 0.0360697800000000, -0.0113069300000000 ] - [ 0.0013160100000000, -0.0110892300000000, 0.0016468900000000 ] - [ 0.0034729800000000, 0.0018915200000000, 0.0022870300000000 ] - [ -0.0021081000000000, -0.0019765200000000, -0.0005956400000000 ] - [ 0.0004029200000000, -0.0029171900000000, 0.0021931500000000 ] - [ -0.0023318500000000, 0.0006988600000000, -0.0073518300000000 ] - [ 0.0030619100000000, -0.0042221800000000, -0.0010473300000000 ] - [ -0.0120671000000000, -0.0014971900000000, 0.0043392400000000 ] - [ -0.0000763800000000, 0.0058181800000000, 0.0025699400000000 ] - [ 0.0001626300000000, -0.0028187300000000, -0.0004403500000000 ] - [ 0.0029805800000000, 0.0037621000000000, -0.0024565600000000 ] - [ -0.0005787300000000, -0.0023358300000000, -0.0001230100000000 ] - [ 0.0012673100000000, 0.0181424900000000, 0.0039185600000000 ] - [ 0.0002932600000000, -0.0038880700000000, 0.0004588400000000 ] - [ -0.0005113100000000, 0.0017745700000000, 0.0001633000000000 ] - [ -0.0001430800000000, -0.0016321200000000, -0.0000136400000000 ] - [ 0.0001758700000000, -0.0009353500000000, -0.0001667900000000 ] - [ 0.0008225100000000, 0.0009714300000000, 0.0000120700000000 ] - [ -0.0008851900000000, -0.0018987100000000, 0.0001467000000000 ] - [ 0.0055027700000000, 0.0026038900000000, -0.0030535600000000 ] - [ 0.0003877700000000, 0.0018282600000000, -0.0019098000000000 ] - [ 0.0004082200000000, -0.0020088700000000, -0.0002839100000000 ] - [ -0.0009983600000000, 0.0022486300000000, 0.0006819700000000 ] - [ 0.0003736200000000, -0.0021332500000000, 0.0008084900000000 ] - [ -0.0006679000000000, -0.0013041100000000, -0.0006368800000000 ] - [ 0.0007532000000000, 0.0016933400000000, 0.0022373600000000 ] - [ -0.0022039000000000, -0.0020945700000000, -0.0004895600000000 ] - [ 0.0054495400000000, -0.0001568300000000, 0.0035667100000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014932700000000, 0.0000369400000000, -0.0011462400000000 ] - [ -0.0013953200000000, -0.0006200300000000, 0.0005107900000000 ] - [ -0.0000758300000000, 0.0001166800000000, 0.0010888500000000 ] - [ -0.0001672700000000, -0.0003182900000000, -0.0006038000000000 ] - [ 0.0093095700000000, -0.0020825200000000, -0.0003498100000000 ] - [ -0.0024974500000000, -0.0024391400000000, 0.0007534800000000 ] - [ 0.0026673400000000, 0.0008941700000000, 0.0060523200000000 ] - [ -0.0007375300000000, -0.0029363000000000, -0.0023693900000000 ] - [ -0.0508676500000000, 0.2274950600000000, 0.1254595200000000 ] - [ -0.0003089800000000, -0.0048061500000000, 0.0002122100000000 ] - [ 0.0004420100000000, 0.0018474400000000, -0.0005432500000000 ] - [ 0.0002334500000000, -0.0014633000000000, -0.0001028200000000 ] - [ 0.0004876000000000, -0.0007783300000000, -0.0003897400000000 ] - [ 0.0003515000000000, 0.0009040700000000, -0.0002317900000000 ] - [ -0.0004291100000000, -0.0011635200000000, 0.0003422600000000 ] - [ -0.0000181700000000, 0.0016382900000000, -0.0006975300000000 ] - [ 0.0016285700000000, 0.0005492100000000, 0.0002862800000000 ] - [ -0.0000214500000000, -0.0005020500000000, 0.0005471600000000 ] - [ -0.0003011000000000, -0.0005114900000000, -0.0005838500000000 ] - [ -0.0004513600000000, 0.0006770800000000, -0.0004437500000000 ] - [ 0.0016323100000000, -0.0015897100000000, -0.0019460700000000 ] - [ -0.0017270400000000, -0.0011730900000000, 0.0016856000000000 ] - [ 0.0016555900000000, 0.0016808200000000, -0.0008860200000000 ] - [ 0.0003066500000000, -0.0010128300000000, 0.0003408400000000 ] - [ -0.0015301900000000, 0.0032909700000000, 0.0015610700000000 ] - [ -0.0001283400000000, -0.0019629300000000, 0.0001137200000000 ] - [ 0.0001878200000000, -0.0004326100000000, -0.0035852200000000 ] - [ 0.0006572900000000, -0.0015453600000000, 0.0010402400000000 ] - [ 0.0009342200000000, -0.0016603900000000, -0.0006375000000000 ] - [ -0.0003396200000000, 0.0026881000000000, -0.0005872300000000 ] - [ -0.0004586800000000, 0.0002259800000000, 0.0001890100000000 ] - [ -0.0004824200000000, -0.0002398700000000, 0.0007594300000000 ] - [ -0.0002729700000000, 0.0017502200000000, 0.0001076200000000 ] - [ 0.0001799600000000, -0.0009591900000000, -0.0004839000000000 ] - [ 0.0008566900000000, 0.0012253400000000, -0.0000283400000000 ] - [ -0.0002938700000000, -0.0005170600000000, 0.0002435800000000 ] - [ 0.0012655900000000, -0.0016540300000000, 0.0008085000000000 ] - [ -0.0020647600000000, 0.0002781400000000, -0.0004404500000000 ] - [ 0.0001200700000000, -0.0138941900000000, -0.0001159800000000 ] - [ -0.0068235500000000, -0.0300848400000000, -0.0183797500000000 ] - [ -0.0014292900000000, 0.0030867100000000, 0.0004344700000000 ] - [ -0.0000319800000000, -0.0010705100000000, -0.0002599200000000 ] - [ -0.0018241000000000, 0.0018499700000000, -0.0029935300000000 ] - [ -0.0001017800000000, -0.0009473500000000, 0.0002097800000000 ] - [ -0.0006967600000000, -0.0012249700000000, 0.0003784600000000 ] - [ 0.0017424300000000, 0.0012718200000000, 0.0007384300000000 ] - [ 0.0001778300000000, -0.0011459300000000, -0.0004712300000000 ] - [ 0.0018967200000000, 0.0010339700000000, -0.0006831700000000 ] - [ -0.0001765400000000, -0.0001297500000000, 0.0003945500000000 ] - [ -0.0004423000000000, -0.0001268000000000, 0.0000477100000000 ] - [ -0.0005607800000000, -0.0007019800000000, -0.0001567300000000 ] - [ 0.0009179200000000, -0.0006964900000000, -0.0007437800000000 ] - [ -0.0050738400000000, -0.0176368100000000, -0.0150614700000000 ] - [ 0.0010950200000000, -0.0027333100000000, 0.0012251900000000 ] - [ 0.0000071500000000, 0.0003044800000000, 0.0009513500000000 ] - [ -0.0007141900000000, -0.0005670800000000, 0.0000931900000000 ] - [ -0.0006843500000000, -0.0013580600000000, 0.0006575100000000 ] - [ 0.0195035600000000, -0.0056818800000000, -0.0099588000000000 ] - [ -0.0054222800000000, 0.0003245200000000, 0.0052778900000000 ] - [ 0.0003291700000000, -0.0016645900000000, -0.0013392000000000 ] - [ -0.0007462000000000, 0.0006750300000000, -0.0004412300000000 ] - [ -0.0002981900000000, -0.0006070200000000, -0.0002825700000000 ] - [ 0.0007188100000000, -0.0003165400000000, 0.0008909800000000 ] - [ -0.0001311200000000, -0.0000727000000000, -0.0001760200000000 ] - [ -0.0008623600000000, 0.0001500100000000, 0.0005971300000000 ] - [ -0.0000716100000000, -0.0009924700000000, 0.0009078000000000 ] - [ 0.0004486100000000, 0.0019073300000000, -0.0015705300000000 ] - [ 0.0003438800000000, -0.0015360800000000, -0.0002267500000000 ] - [ -0.0011223100000000, 0.0001807000000000, -0.0005755100000000 ] - [ 0.0017873800000000, -0.0018891100000000, -0.0002716700000000 ] - [ -0.0010383000000000, -0.0029090900000000, 0.0019082400000000 ] - [ -0.0003675000000000, 0.0083741600000000, -0.0066264700000000 ] - [ -0.0002631700000000, -0.0003949000000000, -0.0003139500000000 ] - [ 0.0002484000000000, 0.0013244400000000, 0.0002596000000000 ] - [ -0.0008591800000000, -0.0039417000000000, -0.0012813000000000 ] - [ 0.0036799600000000, -0.0009024300000000, 0.0071008200000000 ] - [ -0.0007134900000000, 0.0020617700000000, 0.0000458600000000 ] - [ 0.0006958800000000, -0.0019336000000000, 0.0000597200000000 ] - [ 0.0001798400000000, 0.0006742900000000, -0.0003767700000000 ] - [ -0.0002221400000000, -0.0011389500000000, -0.0002053200000000 ] - [ -0.0008752600000000, -0.0007917100000000, 0.0004988900000000 ] - [ 0.0002676500000000, 0.0003139800000000, 0.0002918600000000 ] - [ -0.0005732700000000, 0.0016674300000000, -0.0005326800000000 ] - [ 0.0010026300000000, -0.0027789100000000, 0.0001139100000000 ] - [ -0.0021941100000000, 0.0060828100000000, 0.0070291100000000 ] - [ 0.0001906600000000, 0.0042311200000000, -0.0034342300000000 ] - [ -0.0014242400000000, -0.0032075900000000, 0.0004397400000000 ] - [ -0.0001379100000000, 0.0024465500000000, 0.0005244700000000 ] - [ 0.0030829600000000, 0.0059711700000000, -0.0001035100000000 ] - [ 0.0381232900000000, -0.1270800300000000, -0.0942606100000000 ] - [ 0.0051213000000000, -0.0007729300000000, -0.0005489100000000 ] - [ -0.0014663100000000, 0.0021496700000000, 0.0003401800000000 ] - [ 0.0000338100000000, -0.0014484000000000, -0.0000495200000000 ] - [ 0.0001010300000000, 0.0016792400000000, -0.0002847300000000 ] - [ -0.0003123300000000, 0.0006506400000000, 0.0001370000000000 ] - [ 0.0003173400000000, 0.0003730300000000, 0.0000346500000000 ] - [ -0.0009088600000000, 0.0004478400000000, -0.0003939100000000 ] - [ 0.0006101800000000, -0.0003516700000000, 0.0006669000000000 ] - [ -0.0005720300000000, 0.0006250000000000, 0.0004527100000000 ] - [ 0.0009221800000000, -0.0000774100000000, -0.0002346400000000 ] - [ 0.0002139000000000, -0.0335824700000000, 0.0099667000000000 ] - [ -0.0010308000000000, 0.0112017800000000, -0.0017256400000000 ] - [ -0.0037307600000000, -0.0017753500000000, -0.0021996000000000 ] - [ 0.0018214500000000, 0.0020564800000000, 0.0006734000000000 ] - [ -0.0002386900000000, 0.0026532000000000, -0.0031342600000000 ] - [ 0.0024692200000000, -0.0010054300000000, 0.0063908200000000 ] - [ -0.0031901900000000, 0.0039489200000000, 0.0019974900000000 ] - [ 0.0119367300000000, 0.0012112100000000, -0.0033846300000000 ] - [ -0.0000908300000000, -0.0054906700000000, -0.0015867400000000 ] - [ -0.0003328100000000, 0.0030531200000000, 0.0014296200000000 ] - [ -0.0028131300000000, -0.0034748200000000, 0.0014562500000000 ] - [ 0.0007357400000000, 0.0025818900000000, -0.0008622800000000 ] - [ -0.0015691100000000, -0.0183256400000000, -0.0038426600000000 ] - [ -0.0005917800000000, 0.0037826200000000, -0.0003903100000000 ] - [ 0.0008355800000000, -0.0018424900000000, -0.0002170300000000 ] - [ 0.0004323600000000, 0.0015333500000000, -0.0000517600000000 ] - [ 0.0001137700000000, 0.0010128200000000, 0.0000967000000000 ] - [ -0.0005210600000000, -0.0008851700000000, -0.0000826000000000 ] - [ 0.0005861600000000, 0.0019836500000000, -0.0000794500000000 ] - [ -0.0057703800000000, -0.0025150200000000, 0.0031041300000000 ] - [ -0.0002295200000000, -0.0020437800000000, 0.0009402200000000 ] - [ -0.0002514000000000, 0.0017420900000000, -0.0007041500000000 ] - [ 0.0008454400000000, -0.0024708900000000, 0.0002928000000000 ] - [ -0.0005362700000000, 0.0018701200000000, 0.0001726800000000 ] - [ 0.0004982200000000, 0.0015530400000000, 0.0016089900000000 ] - [ -0.0009181800000000, -0.0014665600000000, -0.0012421500000000 ] - [ 0.0023494800000000, 0.0023389900000000, -0.0004884400000000 ] - [ -0.0052675100000000, 0.0003747600000000, -0.0045375200000000 ]- atom: 9 displacement: [ -0.0053469176449015, 0.0000000000000000, 0.0084504716849795 ] forces: - [ -0.0002398700000000, 0.0006984100000000, 0.0000931800000000 ] - [ -0.0008860500000000, -0.0005296400000000, 0.0002488400000000 ] - [ -0.0004908800000000, -0.0008549200000000, 0.0012360500000000 ] - [ -0.0013286000000000, 0.0014069800000000, 0.0020248400000000 ] - [ -0.0005070400000000, 0.0024980300000000, -0.0020278500000000 ] - [ 0.0004553000000000, -0.0004494900000000, -0.0003736700000000 ] - [ 0.0020212200000000, -0.0019147300000000, -0.0007040300000000 ] - [ 0.0005177900000000, 0.0009957700000000, -0.0005926200000000 ] - [ 0.0578100400000000, -0.1261670800000000, -0.2110050600000000 ] - [ -0.0006016400000000, 0.0000659000000000, -0.0004882300000000 ] - [ 0.0013914200000000, -0.0002883600000000, -0.0002703800000000 ] - [ 0.0006078500000000, 0.0001964800000000, -0.0002955400000000 ] - [ 0.0003955800000000, 0.0001754900000000, -0.0000338600000000 ] - [ 0.0002151400000000, -0.0000256500000000, 0.0006901400000000 ] - [ -0.0005854100000000, 0.0001089700000000, 0.0005785600000000 ] - [ -0.0021223800000000, -0.0009929400000000, 0.0037802800000000 ] - [ 0.0002279300000000, 0.0001248600000000, 0.0001868800000000 ] - [ 0.0005672000000000, 0.0000080600000000, 0.0004015100000000 ] - [ -0.0001762000000000, 0.0002056300000000, -0.0002346800000000 ] - [ -0.0001538100000000, -0.0003468300000000, -0.0000113600000000 ] - [ -0.0016013300000000, 0.0009457100000000, -0.0002391000000000 ] - [ -0.0014691300000000, -0.0023410200000000, 0.0004454900000000 ] - [ -0.0022450900000000, 0.0007638800000000, 0.0058229800000000 ] - [ 0.0001381100000000, -0.0000770000000000, 0.0005485100000000 ] - [ -0.0072910100000000, -0.0005283700000000, 0.0047128800000000 ] - [ -0.0006660900000000, 0.0002326700000000, 0.0006911500000000 ] - [ 0.0005825500000000, 0.0013340100000000, 0.0004315000000000 ] - [ 0.0002344300000000, -0.0013887200000000, 0.0002700100000000 ] - [ 0.0004981700000000, 0.0002868400000000, -0.0006908800000000 ] - [ -0.0002754300000000, -0.0003980100000000, -0.0018623900000000 ] - [ -0.0003298600000000, 0.0006100200000000, 0.0012239800000000 ] - [ -0.0005040800000000, -0.0002407200000000, 0.0011273300000000 ] - [ -0.0023031000000000, 0.0016492500000000, 0.0017321400000000 ] - [ -0.0005757700000000, 0.0004093600000000, 0.0001972600000000 ] - [ -0.0003848000000000, -0.0001186700000000, 0.0013914700000000 ] - [ 0.0000499200000000, 0.0004748700000000, 0.0005508300000000 ] - [ 0.0004971300000000, -0.0001765600000000, -0.0001062100000000 ] - [ 0.0015812100000000, -0.0007127600000000, -0.0006174500000000 ] - [ -0.0002687500000000, -0.0032024400000000, -0.0007094800000000 ] - [ 0.0047356400000000, 0.0039017500000000, -0.0057593600000000 ] - [ 0.0049231700000000, -0.0011666900000000, -0.0038270800000000 ] - [ 0.0005271500000000, 0.0004993300000000, -0.0005826700000000 ] - [ 0.0035657200000000, -0.0014554700000000, 0.0080150000000000 ] - [ -0.0000177600000000, 0.0004200500000000, 0.0003523300000000 ] - [ -0.0002301600000000, 0.0000200700000000, 0.0002069100000000 ] - [ -0.0015979900000000, -0.0007820200000000, -0.0005719500000000 ] - [ -0.0001773100000000, -0.0000137400000000, -0.0000114500000000 ] - [ -0.0020217400000000, -0.0009807300000000, 0.0011833900000000 ] - [ -0.0003792000000000, 0.0001373500000000, 0.0006890600000000 ] - [ -0.0004381600000000, -0.0000138300000000, 0.0006512500000000 ] - [ -0.0008443200000000, -0.0007015500000000, 0.0005603700000000 ] - [ -0.0002089700000000, 0.0005746000000000, 0.0009612000000000 ] - [ 0.0033464800000000, 0.0096661300000000, -0.0010339700000000 ] - [ 0.0004049200000000, -0.0008651400000000, -0.0018584800000000 ] - [ 0.0001048200000000, 0.0003921400000000, 0.0002946000000000 ] - [ 0.0000156900000000, 0.0000457900000000, 0.0002481900000000 ] - [ 0.0001540700000000, 0.0000416100000000, 0.0000422700000000 ] - [ -0.0174596900000000, 0.0153148300000000, 0.0047334100000000 ] - [ -0.0032600500000000, -0.0044563400000000, 0.0021961500000000 ] - [ -0.0004382400000000, 0.0006542000000000, -0.0002178200000000 ] - [ 0.0007952400000000, -0.0003347500000000, -0.0002418100000000 ] - [ -0.0003626800000000, 0.0001222500000000, -0.0005100600000000 ] - [ 0.0009073200000000, 0.0000874700000000, 0.0006746200000000 ] - [ 0.0015471600000000, 0.0003075200000000, 0.0015436300000000 ] - [ -0.0001743700000000, 0.0000758400000000, 0.0004259100000000 ] - [ -0.0004053800000000, 0.0001642000000000, 0.0001422100000000 ] - [ 0.0019979400000000, -0.0007813800000000, 0.0031022700000000 ] - [ 0.0006310500000000, -0.0000452300000000, -0.0002899100000000 ] - [ -0.0001639800000000, -0.0003120200000000, -0.0015913900000000 ] - [ -0.0008074600000000, 0.0021761200000000, -0.0012204100000000 ] - [ -0.0005909300000000, 0.0001776900000000, 0.0005904800000000 ] - [ 0.0033524500000000, 0.0114440000000000, 0.0283564500000000 ] - [ 0.0001798900000000, 0.0005613400000000, -0.0002882500000000 ] - [ 0.0010516700000000, -0.0004529800000000, -0.0005724400000000 ] - [ 0.0006185500000000, 0.0022827000000000, 0.0005257700000000 ] - [ 0.0043049500000000, -0.0058371400000000, 0.0019473300000000 ] - [ -0.0019522600000000, -0.0009766100000000, 0.0012029200000000 ] - [ -0.0003677700000000, 0.0002421000000000, 0.0005581100000000 ] - [ -0.0003002500000000, -0.0006420900000000, 0.0001896600000000 ] - [ -0.0002660300000000, -0.0003103300000000, -0.0000128400000000 ] - [ 0.0001134300000000, -0.0003640400000000, -0.0004912900000000 ] - [ -0.0000811900000000, -0.0002368900000000, -0.0001774500000000 ] - [ -0.0002381400000000, -0.0005241100000000, -0.0002016300000000 ] - [ -0.0010001000000000, 0.0007162400000000, 0.0008693400000000 ] - [ 0.0015216500000000, -0.0033106600000000, -0.0023363300000000 ] - [ 0.0004051400000000, 0.0049550300000000, -0.0002313000000000 ] - [ 0.0048561400000000, 0.0001693500000000, -0.0061676400000000 ] - [ 0.0004161000000000, 0.0001364500000000, -0.0000426700000000 ] - [ 0.0006467700000000, -0.0001055400000000, 0.0008756100000000 ] - [ -0.0588155400000000, 0.0968945900000000, 0.1395192600000000 ] - [ 0.0049972900000000, 0.0013815500000000, -0.0000742900000000 ] - [ 0.0009457100000000, -0.0021445900000000, -0.0012566400000000 ] - [ -0.0005506900000000, 0.0013325900000000, -0.0025590700000000 ] - [ -0.0000225400000000, 0.0001247200000000, -0.0006535300000000 ] - [ -0.0007460900000000, -0.0000087300000000, 0.0003188000000000 ] - [ -0.0015000500000000, 0.0008136700000000, 0.0006266800000000 ] - [ -0.0001013100000000, -0.0000099000000000, -0.0007292500000000 ] - [ 0.0004682400000000, -0.0002540200000000, -0.0013820500000000 ] - [ 0.0014391500000000, -0.0005209000000000, -0.0014803800000000 ] - [ 0.0023152100000000, 0.0008484400000000, -0.0028735200000000 ] - [ -0.0034255700000000, -0.0089171400000000, 0.0177212900000000 ] - [ -0.0001400400000000, -0.0019921500000000, 0.0016176200000000 ] - [ -0.0015518300000000, 0.0000923900000000, 0.0013756400000000 ] - [ -0.0010367900000000, -0.0003461800000000, 0.0002900900000000 ] - [ -0.0005719300000000, 0.0004208900000000, -0.0007947600000000 ] - [ -0.0050373600000000, -0.0064102900000000, -0.0038708800000000 ] - [ -0.0001413500000000, -0.0013262300000000, 0.0011275400000000 ] - [ 0.0037559200000000, 0.0070659400000000, 0.0044030300000000 ] - [ 0.0006553900000000, 0.0063887500000000, -0.0061160300000000 ] - [ 0.0001190900000000, -0.0006887200000000, -0.0001224900000000 ] - [ 0.0035515900000000, -0.0019282900000000, -0.0002311900000000 ] - [ 0.0002300500000000, 0.0002295500000000, -0.0004283300000000 ] - [ -0.0011636400000000, 0.0071581900000000, 0.0170810900000000 ] - [ -0.0001816700000000, -0.0004062300000000, 0.0006634700000000 ] - [ -0.0032417500000000, -0.0001153700000000, 0.0000289700000000 ] - [ -0.0003483100000000, -0.0003797100000000, 0.0000765400000000 ] - [ 0.0002543300000000, -0.0002817300000000, -0.0003689300000000 ] - [ 0.0008177100000000, 0.0003918400000000, -0.0009102900000000 ] - [ 0.0003803800000000, 0.0000452300000000, -0.0001133700000000 ] - [ 0.0072940100000000, 0.0008663900000000, -0.0044794900000000 ] - [ 0.0013584000000000, -0.0011837600000000, -0.0046196800000000 ] - [ 0.0005995600000000, 0.0001018700000000, -0.0011650900000000 ] - [ -0.0002762500000000, 0.0000690300000000, 0.0018689500000000 ] - [ 0.0002847700000000, -0.0008771600000000, 0.0008973400000000 ] - [ -0.0006180800000000, -0.0008989700000000, -0.0002078900000000 ] - [ -0.0003817100000000, 0.0019983700000000, -0.0016931100000000 ] - [ -0.0008508500000000, -0.0004865700000000, 0.0004785200000000 ] - [ 0.0011129300000000, -0.0001015000000000, 0.0070121400000000 ]- atom: 9 displacement: [ 0.0053469176449015, 0.0000000000000000, -0.0084504716849795 ] forces: - [ 0.0006336600000000, -0.0002817400000000, -0.0007263600000000 ] - [ 0.0012765800000000, 0.0009320000000000, -0.0008892000000000 ] - [ 0.0001048200000000, 0.0012771600000000, -0.0006119600000000 ] - [ 0.0009382700000000, -0.0009943400000000, -0.0014018300000000 ] - [ 0.0001424700000000, -0.0029136100000000, 0.0026449700000000 ] - [ -0.0008450100000000, 0.0000330300000000, 0.0010008100000000 ] - [ -0.0016140100000000, 0.0015012900000000, 0.0001050700000000 ] - [ -0.0001253000000000, -0.0014103100000000, -0.0000227900000000 ] - [ -0.0607260200000000, 0.1327038700000000, 0.2166186900000000 ] - [ -0.0001824800000000, -0.0001429200000000, 0.0010327500000000 ] - [ -0.0006141200000000, 0.0002084800000000, -0.0002813300000000 ] - [ 0.0001750000000000, -0.0002747000000000, -0.0002550200000000 ] - [ 0.0003869700000000, -0.0001065900000000, -0.0005203200000000 ] - [ 0.0005600300000000, 0.0001020800000000, -0.0012505100000000 ] - [ -0.0001960900000000, -0.0000343200000000, -0.0000288100000000 ] - [ 0.0013460500000000, 0.0010677500000000, -0.0032189600000000 ] - [ 0.0006103400000000, -0.0001177900000000, 0.0006798300000000 ] - [ 0.0002729100000000, 0.0000022100000000, 0.0004709000000000 ] - [ -0.0006601500000000, -0.0001971700000000, -0.0006310700000000 ] - [ -0.0006749400000000, 0.0003574400000000, -0.0008531800000000 ] - [ 0.0007669300000000, -0.0009522200000000, -0.0006369600000000 ] - [ 0.0006310000000000, 0.0023149600000000, -0.0013162700000000 ] - [ 0.0030790200000000, -0.0007588400000000, -0.0049071500000000 ] - [ 0.0006971800000000, 0.0000709100000000, 0.0003158700000000 ] - [ 0.0062371800000000, 0.0003199200000000, -0.0035196300000000 ] - [ -0.0003176500000000, -0.0004400900000000, 0.0004805700000000 ] - [ 0.0004021900000000, -0.0015321500000000, -0.0016128000000000 ] - [ 0.0007508000000000, 0.0011765900000000, -0.0014499000000000 ] - [ 0.0004849600000000, -0.0000817000000000, -0.0004873200000000 ] - [ 0.0012586900000000, 0.0006058300000000, 0.0006869200000000 ] - [ -0.0006439100000000, -0.0003965600000000, -0.0000408300000000 ] - [ -0.0004771900000000, 0.0004525400000000, 0.0000425400000000 ] - [ 0.0020478900000000, -0.0009526800000000, -0.0021975900000000 ] - [ 0.0003259800000000, 0.0002691600000000, -0.0006678200000000 ] - [ 0.0006346100000000, 0.0008072800000000, -0.0009231900000000 ] - [ 0.0002046000000000, 0.0002118600000000, -0.0000819600000000 ] - [ -0.0002423100000000, -0.0005080500000000, 0.0005812800000000 ] - [ -0.0013301600000000, 0.0000230300000000, 0.0010878200000000 ] - [ 0.0000234300000000, 0.0024616400000000, 0.0002360000000000 ] - [ -0.0049807900000000, -0.0044443600000000, 0.0053931100000000 ] - [ -0.0045101000000000, 0.0015824800000000, 0.0031644600000000 ] - [ -0.0001392700000000, -0.0000789900000000, -0.0000392800000000 ] - [ -0.0039512000000000, 0.0018849600000000, -0.0073548900000000 ] - [ -0.0003729500000000, 0.0000074000000000, 0.0002667500000000 ] - [ -0.0001605900000000, -0.0004389100000000, 0.0004223000000000 ] - [ 0.0012065400000000, 0.0003563700000000, 0.0012026600000000 ] - [ 0.0005637700000000, -0.0004059900000000, -0.0006226600000000 ] - [ 0.0024126300000000, 0.0005354500000000, -0.0018082100000000 ] - [ -0.0003972900000000, -0.0002074000000000, -0.0001310700000000 ] - [ -0.0003427300000000, -0.0000569400000000, -0.0000972400000000 ] - [ 0.0016211900000000, 0.0006387800000000, -0.0011131200000000 ] - [ 0.0009914600000000, -0.0006522100000000, -0.0015128800000000 ] - [ -0.0025288800000000, -0.0095901200000000, 0.0003968400000000 ] - [ 0.0003739200000000, 0.0009282700000000, 0.0012925500000000 ] - [ -0.0008857400000000, -0.0003138700000000, 0.0002605400000000 ] - [ -0.0007945700000000, 0.0000247400000000, 0.0003085900000000 ] - [ 0.0006720200000000, -0.0000343200000000, 0.0008230700000000 ] - [ 0.0184834500000000, -0.0155298300000000, -0.0038779600000000 ] - [ 0.0024292300000000, 0.0045065600000000, -0.0030809400000000 ] - [ -0.0004045900000000, -0.0006474700000000, -0.0006457600000000 ] - [ -0.0016304100000000, 0.0003269700000000, -0.0006295500000000 ] - [ -0.0004765000000000, -0.0001311500000000, -0.0003528800000000 ] - [ -0.0000715000000000, -0.0000962600000000, 0.0001945400000000 ] - [ -0.0007145800000000, -0.0003207800000000, -0.0006737000000000 ] - [ -0.0008076500000000, -0.0002798000000000, 0.0007538100000000 ] - [ -0.0005800700000000, -0.0003771700000000, 0.0010355700000000 ] - [ -0.0010236000000000, 0.0005813900000000, -0.0042880700000000 ] - [ 0.0003497200000000, -0.0001677300000000, -0.0008795200000000 ] - [ 0.0011430600000000, 0.0005191700000000, 0.0004170500000000 ] - [ 0.0017891700000000, -0.0019753000000000, 0.0000473400000000 ] - [ -0.0003942200000000, 0.0000228400000000, 0.0005974400000000 ] - [ -0.0044436100000000, -0.0114091500000000, -0.0276146700000000 ] - [ -0.0004259500000000, 0.0001248200000000, -0.0001820800000000 ] - [ -0.0013007000000000, 0.0011364600000000, 0.0001047300000000 ] - [ -0.0003707700000000, -0.0015939100000000, -0.0000605700000000 ] - [ -0.0040331100000000, 0.0065076800000000, -0.0014899700000000 ] - [ 0.0021929300000000, 0.0002980800000000, -0.0007277900000000 ] - [ 0.0006179400000000, -0.0009343500000000, -0.0000916400000000 ] - [ 0.0000585400000000, -0.0000424500000000, -0.0006565200000000 ] - [ 0.0000171900000000, -0.0003817200000000, -0.0004557900000000 ] - [ -0.0002442700000000, -0.0002535400000000, 0.0010751700000000 ] - [ -0.0000500900000000, -0.0003739200000000, 0.0007611800000000 ] - [ 0.0003605600000000, -0.0000870600000000, -0.0003827500000000 ] - [ 0.0011235600000000, -0.0013279600000000, -0.0014574900000000 ] - [ -0.0013961200000000, 0.0039217900000000, 0.0017668100000000 ] - [ -0.0002893200000000, -0.0043338500000000, -0.0003465600000000 ] - [ -0.0049595400000000, 0.0004400100000000, 0.0067347600000000 ] - [ -0.0005468100000000, 0.0004792500000000, 0.0006278600000000 ] - [ -0.0007516400000000, -0.0004954600000000, -0.0002962800000000 ] - [ 0.0603656300000000, -0.1040189400000000, -0.1442252300000000 ] - [ -0.0048732600000000, -0.0020019900000000, -0.0005178200000000 ] - [ -0.0008114900000000, 0.0015415100000000, 0.0006744600000000 ] - [ 0.0006802600000000, -0.0007229000000000, 0.0019784700000000 ] - [ 0.0001485000000000, 0.0004887500000000, 0.0000665800000000 ] - [ 0.0006167600000000, 0.0006209700000000, 0.0002630500000000 ] - [ 0.0013744500000000, -0.0001965400000000, -0.0000441300000000 ] - [ -0.0001919200000000, -0.0000805800000000, 0.0007977200000000 ] - [ -0.0007633400000000, 0.0001694400000000, 0.0014543400000000 ] - [ -0.0011428700000000, 0.0004207500000000, 0.0014152800000000 ] - [ -0.0020160200000000, -0.0009245200000000, 0.0028047300000000 ] - [ 0.0036180100000000, 0.0090918900000000, -0.0176730900000000 ] - [ 0.0004445600000000, 0.0020457900000000, -0.0016758200000000 ] - [ 0.0012442100000000, -0.0000057000000000, -0.0013117500000000 ] - [ 0.0007402700000000, 0.0004363700000000, -0.0002241100000000 ] - [ 0.0007199500000000, -0.0006714000000000, -0.0001928400000000 ] - [ 0.0052020000000000, 0.0061913000000000, 0.0028757500000000 ] - [ -0.0000217000000000, 0.0010758600000000, -0.0001437200000000 ] - [ -0.0039217600000000, -0.0072949500000000, -0.0033883000000000 ] - [ -0.0007911700000000, -0.0061672600000000, 0.0070998600000000 ] - [ -0.0002657500000000, 0.0009446600000000, 0.0010893900000000 ] - [ -0.0034013000000000, 0.0021659000000000, -0.0007267000000000 ] - [ -0.0000833500000000, 0.0000236700000000, -0.0005447200000000 ] - [ 0.0012929400000000, -0.0071198600000000, -0.0165141500000000 ] - [ -0.0001083000000000, 0.0003146400000000, -0.0005876100000000 ] - [ 0.0035270700000000, 0.0000297300000000, -0.0000986500000000 ] - [ 0.0006383700000000, 0.0002886000000000, -0.0001462900000000 ] - [ 0.0000389400000000, 0.0003682600000000, 0.0002970100000000 ] - [ -0.0005278000000000, -0.0002963700000000, 0.0008369000000000 ] - [ -0.0006691300000000, 0.0000378200000000, 0.0001780100000000 ] - [ -0.0075962400000000, -0.0007703200000000, 0.0045514100000000 ] - [ -0.0012148700000000, 0.0009249400000000, 0.0036251100000000 ] - [ -0.0004500700000000, -0.0003556200000000, 0.0001909100000000 ] - [ 0.0001227700000000, -0.0003223800000000, -0.0008916600000000 ] - [ -0.0004293800000000, 0.0006247600000000, 0.0000745600000000 ] - [ 0.0004646800000000, 0.0011497700000000, 0.0011872200000000 ] - [ 0.0002249400000000, -0.0017399500000000, 0.0026765900000000 ] - [ 0.0010068600000000, 0.0007342400000000, -0.0014558900000000 ] - [ -0.0009614100000000, 0.0003549000000000, -0.0080034000000000 ]- atom: 17 displacement: [ 0.0099999779436379, 0.0000000000000000, 0.0000210030177685 ] forces: - [ -0.0022845100000000, 0.0045610700000000, 0.0044183100000000 ] - [ -0.0009126200000000, -0.0006937500000000, 0.0003735400000000 ] - [ -0.0003748000000000, 0.0010258200000000, -0.0018425700000000 ] - [ -0.0002531000000000, -0.0000820900000000, -0.0000425100000000 ] - [ 0.0200296900000000, 0.0027495000000000, 0.0066318000000000 ] - [ -0.0002267100000000, -0.0009653000000000, 0.0001917500000000 ] - [ 0.0151346800000000, 0.0011372800000000, -0.0029083100000000 ] - [ 0.0003263600000000, -0.0004658500000000, -0.0005011200000000 ] - [ 0.0013478900000000, -0.0012553800000000, 0.0011266900000000 ] - [ 0.0003270800000000, 0.0004027300000000, 0.0008881200000000 ] - [ -0.0014937600000000, -0.0050750900000000, -0.0047893200000000 ] - [ -0.0009580300000000, 0.0007000500000000, -0.0011292500000000 ] - [ -0.0009030400000000, -0.0020194600000000, -0.0024846000000000 ] - [ -0.0012345500000000, 0.0013500800000000, -0.0025376300000000 ] - [ 0.0002784700000000, 0.0003443500000000, 0.0012603400000000 ] - [ 0.0006009300000000, -0.0005130500000000, 0.0022253600000000 ] - [ -0.3604126100000000, 0.0703736200000000, -0.0165211700000000 ] - [ -0.0009918200000000, 0.0000841700000000, 0.0003249900000000 ] - [ -0.0047480300000000, -0.0015542000000000, -0.0000853000000000 ] - [ -0.0047440500000000, 0.0001008500000000, -0.0002740800000000 ] - [ 0.0015757300000000, 0.0002936300000000, 0.0014022000000000 ] - [ 0.0009607800000000, -0.0008182200000000, 0.0006032500000000 ] - [ 0.0032713500000000, 0.0007338700000000, 0.0028523400000000 ] - [ 0.0012320000000000, 0.0000702900000000, 0.0010341900000000 ] - [ 0.0027596500000000, -0.0046118600000000, 0.0037084200000000 ] - [ -0.0003325500000000, 0.0009742500000000, 0.0015818400000000 ] - [ 0.0019331800000000, -0.0006495800000000, 0.0035660700000000 ] - [ 0.0009260900000000, -0.0002260900000000, 0.0001517400000000 ] - [ -0.0010710300000000, 0.0016510000000000, -0.0005943400000000 ] - [ 0.0036234200000000, -0.0147339000000000, 0.0005337900000000 ] - [ 0.0138517300000000, -0.0086867300000000, 0.0154414500000000 ] - [ -0.0009491200000000, 0.0001428800000000, 0.0007395300000000 ] - [ 0.0010668700000000, 0.0007257200000000, 0.0030586100000000 ] - [ -0.0000059200000000, 0.0003031600000000, 0.0001039900000000 ] - [ -0.0036466200000000, 0.0013691000000000, -0.0030418200000000 ] - [ -0.0004882800000000, -0.0000727200000000, -0.0002631100000000 ] - [ 0.0002012400000000, 0.0066790100000000, -0.0015547500000000 ] - [ 0.0002375800000000, -0.0027910800000000, -0.0011838700000000 ] - [ 0.0017787800000000, 0.0018021600000000, -0.0001474300000000 ] - [ 0.0006484100000000, -0.0008902500000000, -0.0003393700000000 ] - [ 0.0020022200000000, 0.0012449500000000, -0.0019606100000000 ] - [ 0.0006465800000000, -0.0000466000000000, -0.0006473000000000 ] - [ -0.0015307400000000, 0.0013408000000000, 0.0022869000000000 ] - [ -0.0004176500000000, -0.0008939600000000, 0.0009950300000000 ] - [ 0.0020065900000000, -0.0014780800000000, 0.0001451700000000 ] - [ 0.0022679300000000, 0.0021226100000000, -0.0002143600000000 ] - [ 0.0017246900000000, -0.0023819600000000, 0.0006998300000000 ] - [ 0.0008441600000000, 0.0022384900000000, 0.0012442900000000 ] - [ 0.0153611800000000, -0.0189529400000000, -0.0109401900000000 ] - [ -0.0013388200000000, 0.0010697500000000, -0.0006478000000000 ] - [ 0.0022464600000000, -0.0000636800000000, 0.0012244100000000 ] - [ 0.0010155800000000, 0.0000798500000000, 0.0004219900000000 ] - [ 0.0021172900000000, 0.0003699300000000, 0.0022656400000000 ] - [ 0.0009463200000000, -0.0000881900000000, 0.0001579800000000 ] - [ -0.0040644100000000, 0.0012682900000000, -0.0051954600000000 ] - [ -0.0008420000000000, -0.0000774500000000, -0.0003529800000000 ] - [ 0.0022493500000000, -0.0000490200000000, 0.0006685200000000 ] - [ 0.0022486300000000, -0.0002822000000000, 0.0005883800000000 ] - [ 0.0038773600000000, 0.0000343300000000, -0.0006688700000000 ] - [ 0.0003975200000000, 0.0001052800000000, -0.0003382100000000 ] - [ -0.0005928300000000, 0.0007178200000000, -0.0031857200000000 ] - [ -0.0005231000000000, -0.0002123000000000, -0.0010467400000000 ] - [ -0.0000292800000000, 0.0001637100000000, -0.0019816400000000 ] - [ -0.0000104900000000, -0.0002311200000000, -0.0003052100000000 ] - [ 0.0004146000000000, -0.0004940900000000, -0.0020214600000000 ] - [ -0.0005595800000000, -0.0002024500000000, 0.0000266400000000 ] - [ 0.0000813500000000, -0.0002570700000000, -0.0025297400000000 ] - [ 0.0002628200000000, 0.0003495300000000, -0.0019827200000000 ] - [ 0.0025326200000000, -0.0005198900000000, 0.0000401900000000 ] - [ 0.0009954700000000, 0.0002080200000000, -0.0003306700000000 ] - [ 0.0001871800000000, 0.0009537200000000, 0.0005145000000000 ] - [ 0.0002324000000000, -0.0009170300000000, 0.0006595400000000 ] - [ -0.0010669300000000, 0.0006191400000000, -0.0006367000000000 ] - [ -0.0007953000000000, 0.0001238400000000, -0.0007413900000000 ] - [ 0.0009197400000000, 0.0002109500000000, 0.0012184400000000 ] - [ 0.0009233700000000, 0.0004740200000000, 0.0005511000000000 ] - [ 0.0038857200000000, -0.0003358100000000, 0.0014239100000000 ] - [ 0.0007684700000000, -0.0007780500000000, 0.0004803200000000 ] - [ 0.0279592000000000, 0.0107279500000000, -0.0004858500000000 ] - [ -0.0002534900000000, -0.0021534500000000, -0.0002649000000000 ] - [ 0.2287885800000000, -0.0477718800000000, 0.0179541400000000 ] - [ 0.0017714300000000, -0.0000669300000000, 0.0001406000000000 ] - [ 0.0064634400000000, -0.0038333000000000, 0.0005169600000000 ] - [ 0.0056644500000000, 0.0056590600000000, 0.0039150500000000 ] - [ -0.0026285500000000, 0.0003724600000000, -0.0036697500000000 ] - [ -0.0015185000000000, 0.0004393700000000, -0.0010938700000000 ] - [ -0.0036835200000000, 0.0007115200000000, -0.0037283400000000 ] - [ -0.0009954900000000, -0.0000066100000000, -0.0007543200000000 ] - [ -0.0024616900000000, -0.0018092600000000, -0.0001111800000000 ] - [ -0.0021095700000000, 0.0008390600000000, 0.0000160300000000 ] - [ -0.0045280300000000, 0.0002250100000000, -0.0019441000000000 ] - [ -0.0010296400000000, -0.0001287700000000, -0.0007725000000000 ] - [ 0.0014530300000000, -0.0008097300000000, 0.0039168200000000 ] - [ 0.0003806900000000, 0.0013125200000000, 0.0018181400000000 ] - [ 0.0004667000000000, -0.0011606300000000, 0.0045511100000000 ] - [ 0.0005167200000000, 0.0005152100000000, 0.0012367600000000 ] - [ 0.0081435400000000, 0.0005892300000000, 0.0093487600000000 ] - [ 0.0014860600000000, -0.0003706600000000, 0.0010948200000000 ] - [ -0.0015557100000000, -0.0016785300000000, -0.0027754500000000 ] - [ -0.0001226000000000, 0.0009045400000000, -0.0013445700000000 ] - [ -0.0085537000000000, 0.0008128300000000, -0.0012411200000000 ] - [ -0.0007523400000000, 0.0003242300000000, -0.0001952800000000 ] - [ 0.0250192300000000, 0.0021485600000000, -0.0159523100000000 ] - [ 0.0008227200000000, 0.0008024000000000, 0.0006695200000000 ] - [ -0.0013956100000000, -0.0036599200000000, 0.0027125200000000 ] - [ -0.0006105400000000, 0.0010085000000000, 0.0008134600000000 ] - [ -0.0011466400000000, -0.0068689600000000, -0.0025431200000000 ] - [ -0.0017227300000000, 0.0038258600000000, -0.0007903400000000 ] - [ -0.0019744600000000, 0.0018652800000000, 0.0035278400000000 ] - [ -0.0002194700000000, 0.0000131700000000, 0.0008587300000000 ] - [ 0.0202676900000000, 0.0002590600000000, 0.0047403600000000 ] - [ 0.0012886900000000, 0.0000917800000000, -0.0006639200000000 ] - [ -0.0026169400000000, 0.0001656600000000, -0.0021984500000000 ] - [ -0.0012460300000000, 0.0002767800000000, -0.0009473200000000 ] - [ 0.0029598500000000, 0.0005466700000000, 0.0037032600000000 ] - [ 0.0010377900000000, 0.0003074400000000, 0.0006955700000000 ] - [ -0.0004086200000000, 0.0100495500000000, -0.0017512100000000 ] - [ 0.0025173400000000, -0.0103970700000000, 0.0011670700000000 ] - [ -0.0030275100000000, 0.0004771900000000, -0.0010007000000000 ] - [ -0.0032352600000000, -0.0013806900000000, -0.0015505100000000 ] - [ -0.0049025600000000, -0.0054426800000000, -0.0103642500000000 ] - [ -0.0003257300000000, 0.0008778400000000, -0.0014539000000000 ] - [ -0.0088008700000000, -0.0013384600000000, 0.0063682100000000 ] - [ -0.0007004300000000, 0.0006924800000000, 0.0011070400000000 ] - [ 0.0021963500000000, 0.0059322200000000, -0.0048659400000000 ] - [ 0.0011342300000000, -0.0008231600000000, -0.0003984600000000 ] - [ -0.0019188400000000, 0.0006669900000000, 0.0000330500000000 ] - [ -0.0013579100000000, -0.0006429000000000, 0.0000930000000000 ]- atom: 17 displacement: [ -0.0099999779436379, 0.0000000000000000, -0.0000210030177685 ] forces: - [ 0.0026229800000000, -0.0041780600000000, -0.0050851100000000 ] - [ 0.0013039300000000, 0.0010978600000000, -0.0010106500000000 ] - [ -0.0000024700000000, -0.0006150100000000, 0.0024513000000000 ] - [ -0.0001378500000000, 0.0004986100000000, 0.0006607800000000 ] - [ -0.0201051000000000, -0.0031159400000000, -0.0058728500000000 ] - [ -0.0001742500000000, 0.0005530000000000, 0.0004391000000000 ] - [ -0.0146375000000000, -0.0015495700000000, 0.0022876100000000 ] - [ 0.0000595900000000, 0.0000543500000000, -0.0001251600000000 ] - [ -0.0021175700000000, 0.0011741600000000, -0.0005866000000000 ] - [ -0.0010984800000000, -0.0004807400000000, -0.0003373900000000 ] - [ 0.0022237800000000, 0.0049670200000000, 0.0042562500000000 ] - [ 0.0017290700000000, -0.0007815400000000, 0.0005829500000000 ] - [ 0.0016845600000000, 0.0020921100000000, 0.0019314700000000 ] - [ 0.0020215200000000, -0.0012543700000000, 0.0019766000000000 ] - [ -0.0010539500000000, -0.0002651500000000, -0.0007149900000000 ] - [ -0.0013720600000000, 0.0005954200000000, -0.0016756800000000 ] - [ 0.3756361600000000, -0.0747956000000000, 0.0197401100000000 ] - [ 0.0018241300000000, -0.0000734500000000, 0.0005452100000000 ] - [ 0.0039241500000000, 0.0015452800000000, -0.0007658200000000 ] - [ 0.0039272000000000, -0.0000683400000000, -0.0005750000000000 ] - [ -0.0024191000000000, -0.0002966600000000, -0.0022635400000000 ] - [ -0.0017964900000000, 0.0008082900000000, -0.0014732400000000 ] - [ -0.0024502100000000, -0.0007426100000000, -0.0019855600000000 ] - [ -0.0004044200000000, -0.0000739600000000, -0.0001709200000000 ] - [ -0.0037443900000000, 0.0044215700000000, -0.0025561500000000 ] - [ -0.0006514300000000, -0.0011799000000000, -0.0004015700000000 ] - [ -0.0009522000000000, 0.0004462500000000, -0.0047426200000000 ] - [ 0.0000537000000000, 0.0000135900000000, -0.0013307100000000 ] - [ 0.0020402900000000, -0.0014443800000000, -0.0005866800000000 ] - [ -0.0027078300000000, 0.0148720900000000, -0.0016829300000000 ] - [ -0.0148995700000000, 0.0090098200000000, -0.0143930100000000 ] - [ -0.0000263200000000, 0.0000720200000000, 0.0004351600000000 ] - [ -0.0013137100000000, -0.0000328300000000, -0.0035169300000000 ] - [ -0.0002416300000000, 0.0003749100000000, -0.0005754600000000 ] - [ 0.0039206100000000, -0.0006754900000000, 0.0034602600000000 ] - [ 0.0007448800000000, 0.0007624600000000, 0.0007282300000000 ] - [ 0.0000310500000000, -0.0073248100000000, 0.0020327100000000 ] - [ 0.0000092800000000, 0.0021125300000000, 0.0016525100000000 ] - [ -0.0020287900000000, -0.0024762800000000, -0.0003176200000000 ] - [ -0.0009010400000000, 0.0002071600000000, -0.0001311100000000 ] - [ -0.0016008300000000, -0.0008334300000000, 0.0013298200000000 ] - [ -0.0002554500000000, 0.0004647800000000, 0.0000287900000000 ] - [ 0.0011495200000000, -0.0009123700000000, -0.0016436900000000 ] - [ 0.0000282500000000, 0.0013184800000000, -0.0003737700000000 ] - [ -0.0023945000000000, 0.0010656400000000, 0.0004806200000000 ] - [ -0.0026739900000000, -0.0025585600000000, 0.0008460300000000 ] - [ -0.0013347700000000, 0.0019684200000000, -0.0013327000000000 ] - [ -0.0004529000000000, -0.0026868800000000, -0.0018767400000000 ] - [ -0.0162364600000000, 0.0190879000000000, 0.0116075100000000 ] - [ 0.0005678000000000, -0.0011481300000000, 0.0012026500000000 ] - [ -0.0014799100000000, -0.0000042700000000, -0.0017805600000000 ] - [ -0.0002400400000000, -0.0001555100000000, -0.0009732800000000 ] - [ -0.0013365700000000, -0.0002827800000000, -0.0028156900000000 ] - [ -0.0001734900000000, 0.0001565200000000, -0.0007123900000000 ] - [ 0.0032525800000000, -0.0011857200000000, 0.0057359100000000 ] - [ 0.0000691100000000, 0.0001529900000000, 0.0009097900000000 ] - [ -0.0014197800000000, 0.0000579600000000, 0.0001919300000000 ] - [ -0.0014162700000000, 0.0002923600000000, 0.0002755300000000 ] - [ -0.0046931400000000, -0.0000234000000000, -0.0002054500000000 ] - [ -0.0012293900000000, -0.0000995300000000, -0.0005246800000000 ] - [ -0.0002213700000000, -0.0007298400000000, 0.0023255100000000 ] - [ -0.0003084100000000, 0.0002046100000000, 0.0001854100000000 ] - [ 0.0008616600000000, -0.0001727100000000, 0.0028399400000000 ] - [ 0.0008447600000000, 0.0002207000000000, 0.0011732400000000 ] - [ -0.0013920700000000, 0.0002922000000000, 0.0032078200000000 ] - [ -0.0004235800000000, -0.0000086500000000, 0.0011534800000000 ] - [ 0.0008984100000000, 0.0000626200000000, 0.0013367100000000 ] - [ 0.0007145800000000, -0.0005589200000000, 0.0008060300000000 ] - [ -0.0015572300000000, 0.0007270800000000, -0.0012252000000000 ] - [ -0.0000192800000000, 0.0000017100000000, -0.0008452800000000 ] - [ -0.0011647300000000, -0.0007440900000000, 0.0006689300000000 ] - [ -0.0012053900000000, 0.0011224200000000, 0.0005290400000000 ] - [ 0.0008184200000000, 0.0000672100000000, 0.0001687200000000 ] - [ 0.0005435300000000, 0.0005590300000000, 0.0002763300000000 ] - [ -0.0006684600000000, 0.0004772900000000, -0.0007503300000000 ] - [ -0.0006701200000000, 0.0002065000000000, -0.0000786000000000 ] - [ -0.0036533500000000, -0.0003420800000000, -0.0009585400000000 ] - [ -0.0005139600000000, 0.0000865700000000, -0.0000161600000000 ] - [ -0.0286410800000000, -0.0115962000000000, 0.0000062700000000 ] - [ 0.0000071500000000, 0.0014666700000000, -0.0002033900000000 ] - [ -0.2447310000000000, 0.0515446300000000, -0.0190614400000000 ] - [ -0.0018984100000000, -0.0005463200000000, 0.0004458700000000 ] - [ -0.0063104000000000, 0.0032271200000000, -0.0011090300000000 ] - [ -0.0055033100000000, -0.0063210900000000, -0.0045354300000000 ] - [ 0.0027542000000000, 0.0002358200000000, 0.0030780100000000 ] - [ 0.0016465600000000, 0.0001745900000000, 0.0005082400000000 ] - [ 0.0035649000000000, -0.0000875900000000, 0.0043238400000000 ] - [ 0.0008718700000000, 0.0006199200000000, 0.0013403000000000 ] - [ 0.0023364400000000, 0.0011877100000000, 0.0006967500000000 ] - [ 0.0019874500000000, -0.0014427400000000, 0.0005709200000000 ] - [ 0.0046502200000000, -0.0008453500000000, 0.0013614100000000 ] - [ 0.0011543500000000, -0.0004840400000000, 0.0001894400000000 ] - [ -0.0013633400000000, 0.0014083000000000, -0.0044935200000000 ] - [ -0.0002591500000000, -0.0006997500000000, -0.0023999600000000 ] - [ -0.0005918200000000, 0.0017687100000000, -0.0039635200000000 ] - [ -0.0006419900000000, 0.0000985400000000, -0.0006537200000000 ] - [ -0.0084766500000000, -0.0006415800000000, -0.0092348900000000 ] - [ -0.0017735400000000, 0.0002666000000000, -0.0010208800000000 ] - [ 0.0018537600000000, 0.0015892400000000, 0.0027229400000000 ] - [ 0.0004168400000000, -0.0009849900000000, 0.0012828400000000 ] - [ 0.0088105300000000, -0.0007155400000000, 0.0011689700000000 ] - [ 0.0010471600000000, -0.0002412900000000, 0.0001247800000000 ] - [ -0.0238795800000000, -0.0018780400000000, 0.0146191900000000 ] - [ -0.0011107400000000, -0.0007212200000000, -0.0006002500000000 ] - [ 0.0015529700000000, 0.0033908400000000, -0.0036744500000000 ] - [ 0.0007828700000000, -0.0012609400000000, -0.0017885600000000 ] - [ 0.0010216000000000, 0.0065954400000000, 0.0034912500000000 ] - [ 0.0015685200000000, -0.0040888000000000, 0.0017723600000000 ] - [ 0.0018052600000000, -0.0016009900000000, -0.0025151500000000 ] - [ 0.0000495600000000, 0.0002347800000000, 0.0001245600000000 ] - [ -0.0197180500000000, -0.0002682500000000, -0.0050492100000000 ] - [ -0.0011328100000000, 0.0001649300000000, -0.0003155400000000 ] - [ 0.0023302200000000, -0.0002428000000000, 0.0022623900000000 ] - [ 0.0009587300000000, -0.0003696500000000, 0.0010223400000000 ] - [ -0.0026725100000000, -0.0006203600000000, -0.0037850300000000 ] - [ -0.0007541600000000, -0.0003977500000000, -0.0007664400000000 ] - [ 0.0006745800000000, -0.0099753300000000, 0.0016856700000000 ] - [ -0.0022781700000000, 0.0105195400000000, -0.0012489400000000 ] - [ 0.0027442400000000, -0.0003941400000000, 0.0010688900000000 ] - [ 0.0029511700000000, 0.0014725300000000, 0.0016251100000000 ] - [ 0.0050691700000000, 0.0051977000000000, 0.0094064400000000 ] - [ 0.0004859200000000, -0.0011359800000000, 0.0004686600000000 ] - [ 0.0086559200000000, 0.0010864000000000, -0.0054078200000000 ] - [ 0.0005297500000000, -0.0009438600000000, -0.0001287300000000 ] - [ -0.0023796700000000, -0.0056939300000000, 0.0058335500000000 ] - [ -0.0013147600000000, 0.0010736500000000, 0.0013763000000000 ] - [ 0.0020888700000000, -0.0004252100000000, -0.0010093600000000 ] - [ 0.0015266800000000, 0.0009001000000000, -0.0010816700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0035470400000000, -0.0004165300000000, 0.0040864900000000 ] - [ 0.0005040200000000, 0.0015364700000000, -0.0009932200000000 ] - [ 0.0003422100000000, -0.0007729100000000, 0.0009646700000000 ] - [ -0.0003668800000000, 0.0008106500000000, 0.0001633100000000 ] - [ 0.0004773400000000, -0.0044953000000000, 0.0019501300000000 ] - [ -0.0001084900000000, 0.0012015700000000, 0.0004534500000000 ] - [ 0.0013635100000000, -0.0003103600000000, -0.0004407900000000 ] - [ -0.0000191200000000, 0.0005804300000000, -0.0002308700000000 ] - [ -0.0006746400000000, -0.0005800700000000, 0.0002365000000000 ] - [ -0.0004784600000000, 0.0004690100000000, 0.0002235900000000 ] - [ -0.0017662800000000, -0.0003687900000000, 0.0036414600000000 ] - [ 0.0009153500000000, 0.0016339800000000, -0.0007181400000000 ] - [ 0.0005953400000000, 0.0016190600000000, 0.0009736400000000 ] - [ 0.0016473500000000, 0.0012055600000000, -0.0022295100000000 ] - [ -0.0004794100000000, 0.0003458700000000, 0.0001148600000000 ] - [ -0.0004896800000000, 0.0001074100000000, -0.0001539100000000 ] - [ 0.0728869700000000, -0.0698604500000000, 0.0145619600000000 ] - [ 0.0005092600000000, 0.0009606400000000, 0.0004031700000000 ] - [ -0.0005129000000000, 0.0027968400000000, -0.0018782000000000 ] - [ 0.0011141000000000, 0.0027721100000000, 0.0016601700000000 ] - [ -0.0001343600000000, -0.0001937200000000, -0.0004194500000000 ] - [ -0.0012412300000000, 0.0005083700000000, -0.0012311800000000 ] - [ -0.0003109600000000, -0.0005505300000000, -0.0001164300000000 ] - [ 0.0003590700000000, 0.0003855200000000, 0.0003996100000000 ] - [ -0.0014966100000000, 0.0005456300000000, -0.0009336300000000 ] - [ -0.0004170200000000, 0.0005890800000000, 0.0008127000000000 ] - [ -0.0000810500000000, -0.0008289200000000, -0.0018734700000000 ] - [ 0.0004874000000000, 0.0006980200000000, -0.0006933100000000 ] - [ 0.0011344200000000, 0.0016085900000000, 0.0001626100000000 ] - [ -0.0108505500000000, 0.0148779700000000, -0.0027859500000000 ] - [ -0.0111571300000000, -0.0033816800000000, -0.0059456200000000 ] - [ -0.0000207800000000, 0.0013939000000000, 0.0005584000000000 ] - [ -0.0002793700000000, -0.0008830600000000, -0.0020593900000000 ] - [ -0.0002926300000000, 0.0011245100000000, -0.0002348600000000 ] - [ 0.0013016100000000, -0.0024820400000000, -0.0016129900000000 ] - [ 0.0004384200000000, 0.0017283400000000, 0.0003184700000000 ] - [ 0.0035756700000000, 0.0011084200000000, -0.0014997100000000 ] - [ -0.0008902300000000, 0.0024159600000000, 0.0018414100000000 ] - [ 0.0002694600000000, -0.0006405300000000, -0.0001342300000000 ] - [ -0.0008251200000000, -0.0000070600000000, -0.0000766200000000 ] - [ 0.0006290000000000, 0.0000946200000000, -0.0003389400000000 ] - [ 0.0000228700000000, 0.0006580800000000, -0.0003205100000000 ] - [ 0.0005167000000000, -0.0006492700000000, 0.0005372100000000 ] - [ -0.0004456600000000, 0.0011615900000000, -0.0001371200000000 ] - [ -0.0017560500000000, 0.0006881300000000, 0.0003954300000000 ] - [ 0.0009598800000000, 0.0000534400000000, 0.0000829900000000 ] - [ -0.0008374800000000, 0.0007809800000000, -0.0009147400000000 ] - [ 0.0009326700000000, -0.0004666700000000, 0.0004587700000000 ] - [ -0.0175078200000000, 0.0056966600000000, 0.0078146600000000 ] - [ -0.0002419500000000, 0.0013316600000000, 0.0004199200000000 ] - [ 0.0001652200000000, -0.0007058500000000, -0.0000016800000000 ] - [ 0.0003472600000000, 0.0004847200000000, -0.0005465000000000 ] - [ 0.0004070100000000, -0.0006421400000000, -0.0006641100000000 ] - [ 0.0001561400000000, 0.0006332000000000, -0.0002820600000000 ] - [ 0.0000607600000000, -0.0016554600000000, -0.0003312600000000 ] - [ -0.0002068500000000, 0.0010444800000000, 0.0004853500000000 ] - [ 0.0001349900000000, 0.0000504800000000, 0.0004180100000000 ] - [ 0.0003762000000000, 0.0000542500000000, 0.0003839300000000 ] - [ -0.0004538300000000, -0.0005683200000000, -0.0006806500000000 ] - [ -0.0005299200000000, 0.0003572700000000, -0.0003799000000000 ] - [ 0.0002991000000000, -0.0008418000000000, -0.0006215400000000 ] - [ -0.0006379700000000, 0.0006213600000000, -0.0003249300000000 ] - [ 0.0002575200000000, -0.0001975600000000, 0.0008874600000000 ] - [ 0.0006549700000000, 0.0004640000000000, 0.0005224900000000 ] - [ -0.0011954800000000, -0.0010379000000000, 0.0006513800000000 ] - [ -0.0004677000000000, 0.0006194600000000, 0.0008274200000000 ] - [ 0.0001861500000000, -0.0004921900000000, -0.0010234600000000 ] - [ 0.0007251800000000, 0.0005665400000000, -0.0002937400000000 ] - [ 0.0003023300000000, -0.0007831800000000, -0.0006925900000000 ] - [ 0.0003838900000000, 0.0007316800000000, -0.0005410600000000 ] - [ -0.0003325000000000, 0.0006058000000000, 0.0006130100000000 ] - [ -0.0007749800000000, -0.0002892500000000, 0.0005927700000000 ] - [ 0.0000221000000000, 0.0004919600000000, -0.0006842600000000 ] - [ -0.0000731300000000, 0.0006238800000000, 0.0002850700000000 ] - [ -0.0000189800000000, 0.0005117400000000, -0.0001015200000000 ] - [ 0.0001493000000000, 0.0003864900000000, 0.0003036200000000 ] - [ 0.0007256400000000, -0.0011032800000000, 0.0005890300000000 ] - [ -0.0001851800000000, 0.0003573200000000, 0.0001764000000000 ] - [ 0.0138618600000000, -0.0038454400000000, -0.0000149500000000 ] - [ -0.0000715000000000, 0.0015988200000000, -0.0002438200000000 ] - [ -0.0506456200000000, 0.0460032400000000, -0.0054598400000000 ] - [ -0.0005215000000000, -0.0024196900000000, 0.0002089100000000 ] - [ -0.0022818700000000, -0.0044417300000000, 0.0002052000000000 ] - [ 0.0016864900000000, -0.0067203500000000, -0.0071024100000000 ] - [ 0.0001369900000000, 0.0006619900000000, 0.0004759600000000 ] - [ 0.0007477600000000, -0.0003511500000000, -0.0003045100000000 ] - [ 0.0009799400000000, 0.0008916300000000, 0.0017109700000000 ] - [ 0.0000948100000000, -0.0005176000000000, 0.0001702200000000 ] - [ -0.0000142900000000, -0.0007285400000000, 0.0002131200000000 ] - [ 0.0004065100000000, -0.0000063200000000, 0.0003778200000000 ] - [ 0.0002017900000000, 0.0010489100000000, -0.0001386600000000 ] - [ 0.0002891400000000, -0.0011726400000000, -0.0001832400000000 ] - [ -0.0010931000000000, 0.0017616500000000, 0.0017345600000000 ] - [ 0.0000420000000000, -0.0014916900000000, -0.0011919400000000 ] - [ 0.0002238600000000, 0.0008471100000000, 0.0003534500000000 ] - [ -0.0003865700000000, -0.0007314100000000, -0.0000759900000000 ] - [ -0.0015757500000000, 0.0008998400000000, -0.0068437100000000 ] - [ -0.0002792000000000, -0.0019881600000000, 0.0007770400000000 ] - [ -0.0003986900000000, 0.0010447100000000, -0.0010102600000000 ] - [ 0.0002368800000000, -0.0009286100000000, 0.0007211700000000 ] - [ 0.0003665200000000, 0.0013359200000000, -0.0001489000000000 ] - [ 0.0005838600000000, -0.0010874900000000, -0.0000264200000000 ] - [ 0.0007958000000000, 0.0088075400000000, -0.0013926700000000 ] - [ -0.0005556600000000, -0.0027195700000000, -0.0003414000000000 ] - [ -0.0012692400000000, -0.0000857500000000, -0.0001486500000000 ] - [ 0.0012406200000000, -0.0009225400000000, -0.0009510000000000 ] - [ -0.0032086800000000, -0.0008173700000000, -0.0004594500000000 ] - [ 0.0022308600000000, -0.0036197400000000, 0.0025540600000000 ] - [ -0.0002994200000000, 0.0018224900000000, 0.0013765800000000 ] - [ -0.0001758700000000, -0.0010800500000000, 0.0003767400000000 ] - [ -0.0017028500000000, 0.0129438400000000, -0.0024174300000000 ] - [ -0.0001765700000000, -0.0020472700000000, -0.0007461400000000 ] - [ -0.0001705700000000, 0.0009688200000000, 0.0001127100000000 ] - [ 0.0002273700000000, -0.0009417800000000, 0.0003596500000000 ] - [ -0.0007332700000000, 0.0016920400000000, -0.0016660500000000 ] - [ 0.0000369200000000, -0.0013633900000000, 0.0003599600000000 ] - [ 0.0027721000000000, -0.0060136500000000, 0.0010157700000000 ] - [ -0.0036229500000000, -0.0037641800000000, 0.0000605300000000 ] - [ 0.0009429500000000, -0.0001876200000000, 0.0003715700000000 ] - [ -0.0004983200000000, -0.0001269300000000, -0.0000335100000000 ] - [ 0.0008017000000000, 0.0043920800000000, -0.0010467200000000 ] - [ 0.0002137300000000, -0.0018293700000000, -0.0002626000000000 ] - [ -0.0011381500000000, 0.0026220500000000, 0.0017119300000000 ] - [ 0.0001910400000000, -0.0016479600000000, 0.0003240200000000 ] - [ 0.0005716900000000, -0.0016464100000000, 0.0037628700000000 ] - [ -0.0011820200000000, -0.0008385800000000, -0.0010331600000000 ] - [ 0.0009590600000000, 0.0002685200000000, -0.0004719100000000 ] - [ -0.0001656900000000, -0.0004171100000000, -0.0004489200000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0031366300000000, 0.0008255700000000, -0.0046772800000000 ] - [ -0.0001121600000000, -0.0011380300000000, 0.0003612100000000 ] - [ -0.0007256000000000, 0.0011780200000000, -0.0003409900000000 ] - [ -0.0000212300000000, -0.0003955700000000, 0.0004584700000000 ] - [ -0.0008916400000000, 0.0040862000000000, -0.0013274000000000 ] - [ -0.0002881500000000, -0.0016166700000000, 0.0001780700000000 ] - [ -0.0010108600000000, -0.0001105900000000, -0.0001765300000000 ] - [ 0.0004097300000000, -0.0009937100000000, -0.0003964600000000 ] - [ -0.0000978600000000, 0.0005190100000000, 0.0003130700000000 ] - [ -0.0002929200000000, -0.0005432600000000, 0.0003341000000000 ] - [ 0.0025559600000000, 0.0002984700000000, -0.0042319200000000 ] - [ -0.0001386600000000, -0.0017027800000000, 0.0001547100000000 ] - [ 0.0001798800000000, -0.0015569400000000, -0.0015347200000000 ] - [ -0.0008899700000000, -0.0011387300000000, 0.0016771300000000 ] - [ -0.0002974200000000, -0.0002797300000000, 0.0004446700000000 ] - [ -0.0002801000000000, -0.0000330700000000, 0.0007210200000000 ] - [ -0.0721213200000000, 0.0706767400000000, -0.0139696800000000 ] - [ 0.0003469200000000, -0.0009550400000000, 0.0004714800000000 ] - [ -0.0003485200000000, -0.0027688100000000, 0.0009931800000000 ] - [ -0.0019725900000000, -0.0027930600000000, -0.0025424900000000 ] - [ -0.0007180500000000, 0.0001867300000000, -0.0004483600000000 ] - [ 0.0003872400000000, -0.0005144200000000, 0.0003645900000000 ] - [ 0.0011608600000000, 0.0005502400000000, 0.0009921000000000 ] - [ 0.0004974300000000, -0.0003863400000000, 0.0004684100000000 ] - [ 0.0005004800000000, -0.0007276900000000, 0.0020863100000000 ] - [ -0.0005675700000000, -0.0007987600000000, 0.0003521700000000 ] - [ 0.0010673300000000, 0.0006148800000000, 0.0007217600000000 ] - [ 0.0004970700000000, -0.0009161400000000, -0.0004675700000000 ] - [ -0.0001504700000000, -0.0013940000000000, -0.0013245000000000 ] - [ 0.0120306000000000, -0.0148683300000000, 0.0016773000000000 ] - [ 0.0101498300000000, 0.0035355100000000, 0.0070748800000000 ] - [ -0.0009660500000000, -0.0011779000000000, 0.0005973100000000 ] - [ 0.0000172700000000, 0.0015813300000000, 0.0016029900000000 ] - [ 0.0000371400000000, -0.0004352100000000, -0.0002330100000000 ] - [ -0.0010387700000000, 0.0031886300000000, 0.0020666500000000 ] - [ -0.0001695700000000, -0.0010218900000000, 0.0001454300000000 ] - [ -0.0032757000000000, -0.0017962900000000, 0.0019471400000000 ] - [ 0.0011509200000000, -0.0031227300000000, -0.0013856300000000 ] - [ -0.0005281300000000, -0.0000622500000000, -0.0003312100000000 ] - [ 0.0005716900000000, -0.0006857300000000, -0.0003927100000000 ] - [ -0.0002202900000000, 0.0003237300000000, -0.0003024500000000 ] - [ 0.0003671200000000, -0.0002430600000000, -0.0002993900000000 ] - [ -0.0009070800000000, 0.0010848600000000, 0.0001041200000000 ] - [ 0.0000533500000000, -0.0007422000000000, 0.0007566200000000 ] - [ 0.0013618800000000, -0.0011036700000000, 0.0002308200000000 ] - [ -0.0013559200000000, -0.0004665500000000, 0.0005438700000000 ] - [ 0.0012258700000000, -0.0012054700000000, 0.0002807300000000 ] - [ -0.0005496600000000, 0.0000365400000000, -0.0010813900000000 ] - [ 0.0165410200000000, -0.0057601500000000, -0.0071425500000000 ] - [ -0.0005385600000000, -0.0013913000000000, 0.0001417400000000 ] - [ 0.0006073300000000, 0.0006396500000000, -0.0005542300000000 ] - [ 0.0004331200000000, -0.0005451000000000, -0.0000139000000000 ] - [ 0.0003716300000000, 0.0007152900000000, 0.0000958100000000 ] - [ 0.0006222800000000, -0.0005767200000000, -0.0002832900000000 ] - [ -0.0008402400000000, 0.0017192200000000, 0.0009000900000000 ] - [ -0.0005695800000000, -0.0009817100000000, 0.0000768400000000 ] - [ 0.0007097500000000, -0.0000469900000000, 0.0004474500000000 ] - [ 0.0004809700000000, -0.0000430600000000, 0.0004836400000000 ] - [ -0.0003962700000000, 0.0005753000000000, -0.0001908700000000 ] - [ -0.0003206800000000, -0.0003543800000000, -0.0004864400000000 ] - [ -0.0011480300000000, 0.0008387900000000, -0.0002539600000000 ] - [ -0.0002168600000000, -0.0006281700000000, -0.0005397200000000 ] - [ 0.0005922200000000, 0.0001878300000000, -0.0000199400000000 ] - [ 0.0001990000000000, -0.0004715700000000, 0.0003489900000000 ] - [ 0.0002101600000000, 0.0008242600000000, 0.0005132900000000 ] - [ -0.0005223300000000, -0.0008346200000000, 0.0003295000000000 ] - [ 0.0007998700000000, 0.0002956600000000, -0.0001398700000000 ] - [ 0.0002565400000000, -0.0007868900000000, -0.0008604700000000 ] - [ 0.0006803700000000, 0.0009878800000000, -0.0004730100000000 ] - [ 0.0005969200000000, -0.0005129800000000, -0.0006168100000000 ] - [ -0.0006493900000000, -0.0003974500000000, 0.0005532300000000 ] - [ -0.0001999500000000, 0.0005108600000000, 0.0005794300000000 ] - [ -0.0002794300000000, 0.0001988900000000, 0.0002139800000000 ] - [ -0.0001896600000000, 0.0000739300000000, -0.0007553200000000 ] - [ 0.0002790500000000, 0.0001833000000000, 0.0005683900000000 ] - [ 0.0001168800000000, 0.0003112100000000, 0.0001645100000000 ] - [ -0.0004713200000000, 0.0004139400000000, -0.0001179500000000 ] - [ 0.0004477300000000, -0.0010612500000000, 0.0002869400000000 ] - [ -0.0141126900000000, 0.0031865700000000, -0.0004501200000000 ] - [ -0.0001854600000000, -0.0022957200000000, -0.0002240700000000 ] - [ 0.0507076200000000, -0.0472297100000000, 0.0060562300000000 ] - [ 0.0004042000000000, 0.0018088700000000, 0.0003742900000000 ] - [ 0.0023944400000000, 0.0038057800000000, -0.0007804200000000 ] - [ -0.0015857200000000, 0.0061372100000000, 0.0065498000000000 ] - [ -0.0000150100000000, -0.0000441300000000, -0.0010642700000000 ] - [ -0.0006262400000000, 0.0009621700000000, -0.0002794500000000 ] - [ -0.0011060400000000, -0.0002752700000000, -0.0011253800000000 ] - [ -0.0002205900000000, 0.0011313700000000, 0.0004103800000000 ] - [ -0.0001107400000000, 0.0001177500000000, 0.0003711700000000 ] - [ -0.0005363500000000, -0.0006089400000000, 0.0002068400000000 ] - [ -0.0000791000000000, -0.0016564900000000, -0.0004464400000000 ] - [ -0.0001656600000000, 0.0005587400000000, -0.0004007800000000 ] - [ 0.0012176500000000, -0.0011680000000000, -0.0023258500000000 ] - [ 0.0000835200000000, 0.0021053800000000, 0.0006070200000000 ] - [ -0.0003467600000000, -0.0002277400000000, 0.0002298800000000 ] - [ 0.0002651500000000, 0.0013440600000000, 0.0006653100000000 ] - [ 0.0012892800000000, -0.0009814100000000, 0.0069049200000000 ] - [ -0.0000128800000000, 0.0018943400000000, -0.0007090600000000 ] - [ 0.0006899900000000, -0.0011297200000000, 0.0009326600000000 ] - [ 0.0000597700000000, 0.0008457700000000, -0.0007910600000000 ] - [ -0.0000712900000000, -0.0012447300000000, 0.0000835500000000 ] - [ -0.0002928400000000, 0.0011740400000000, -0.0000443900000000 ] - [ -0.0011971600000000, -0.0087490100000000, 0.0015790100000000 ] - [ 0.0002594200000000, 0.0028054700000000, 0.0004158300000000 ] - [ 0.0014236800000000, -0.0001495800000000, -0.0008210000000000 ] - [ -0.0010826300000000, 0.0006692100000000, -0.0000218700000000 ] - [ 0.0030255300000000, 0.0005664000000000, 0.0014216500000000 ] - [ -0.0024002400000000, 0.0033765900000000, -0.0015910800000000 ] - [ 0.0001466400000000, -0.0015761100000000, -0.0004000600000000 ] - [ 0.0000055000000000, 0.0013281300000000, 0.0006040800000000 ] - [ 0.0019143300000000, -0.0126747100000000, 0.0014899900000000 ] - [ 0.0003314700000000, 0.0023018800000000, -0.0002397100000000 ] - [ -0.0001210400000000, -0.0010539900000000, -0.0000424900000000 ] - [ -0.0005215200000000, 0.0008536100000000, -0.0002821400000000 ] - [ 0.0010275300000000, -0.0017753100000000, 0.0016054600000000 ] - [ 0.0002550000000000, 0.0012767000000000, -0.0004209900000000 ] - [ -0.0024674800000000, 0.0060929200000000, -0.0010849800000000 ] - [ 0.0039574300000000, 0.0038331400000000, -0.0001315600000000 ] - [ -0.0012327300000000, 0.0002767100000000, -0.0003056500000000 ] - [ 0.0002001700000000, 0.0002048700000000, 0.0000979900000000 ] - [ -0.0006393800000000, -0.0046489300000000, 0.0000342100000000 ] - [ -0.0000512600000000, 0.0015762800000000, -0.0007234900000000 ] - [ 0.0009478200000000, -0.0028631200000000, -0.0007076200000000 ] - [ -0.0003564300000000, 0.0013994400000000, 0.0006569100000000 ] - [ -0.0007299000000000, 0.0019140300000000, -0.0027869600000000 ] - [ 0.0010235100000000, 0.0010870300000000, 0.0020263800000000 ] - [ -0.0007891000000000, -0.0000202700000000, -0.0005025700000000 ] - [ 0.0003284000000000, 0.0006629700000000, -0.0005321900000000 ]- atom: 17 displacement: [ -0.0053469176449015, 0.0000000000000000, 0.0084504716849795 ] forces: - [ 0.0052614100000000, 0.0034706500000000, 0.0018392200000000 ] - [ 0.0005892700000000, 0.0000357500000000, -0.0007276300000000 ] - [ -0.0010927800000000, 0.0000715300000000, 0.0037838500000000 ] - [ -0.0003810200000000, 0.0002064000000000, 0.0007943700000000 ] - [ -0.0053540700000000, 0.0000164100000000, -0.0092261700000000 ] - [ -0.0001605000000000, -0.0000913600000000, 0.0000298800000000 ] - [ -0.0190951800000000, -0.0016889400000000, 0.0026810300000000 ] - [ -0.0000774500000000, -0.0001793700000000, -0.0001539400000000 ] - [ -0.0008204500000000, 0.0007383900000000, -0.0001177300000000 ] - [ -0.0005963100000000, -0.0003657700000000, 0.0000250200000000 ] - [ -0.0004522700000000, 0.0074382100000000, 0.0036016900000000 ] - [ 0.0008886000000000, -0.0011971000000000, 0.0002593100000000 ] - [ 0.0006495500000000, 0.0024177500000000, 0.0008227200000000 ] - [ -0.0001077900000000, -0.0024516000000000, 0.0009360600000000 ] - [ -0.0004286500000000, 0.0002641400000000, 0.0001877900000000 ] - [ -0.0005383300000000, -0.0001824700000000, 0.0005837900000000 ] - [ 0.1818137400000000, -0.0271772700000000, -0.0698018400000000 ] - [ 0.0010786000000000, -0.0000668700000000, 0.0001592000000000 ] - [ 0.0020142600000000, -0.0009577300000000, -0.0015261700000000 ] - [ 0.0021789000000000, 0.0011771000000000, -0.0014175800000000 ] - [ 0.0000628700000000, -0.0001475100000000, -0.0010619600000000 ] - [ -0.0002814200000000, -0.0002435600000000, -0.0008008400000000 ] - [ 0.0009374800000000, 0.0000744300000000, 0.0002292500000000 ] - [ 0.0004935300000000, -0.0000099300000000, 0.0003117000000000 ] - [ 0.0013839000000000, -0.0034010200000000, 0.0015289800000000 ] - [ -0.0002504700000000, -0.0000081200000000, 0.0001544400000000 ] - [ 0.0007820000000000, 0.0001053200000000, -0.0007737400000000 ] - [ 0.0005986500000000, -0.0000598500000000, -0.0006940100000000 ] - [ 0.0010846600000000, -0.0010643500000000, -0.0019275700000000 ] - [ 0.0001080400000000, 0.0048188400000000, -0.0061825200000000 ] - [ 0.0087474900000000, -0.0017812800000000, -0.0021872900000000 ] - [ -0.0001563200000000, 0.0003322100000000, 0.0002223000000000 ] - [ -0.0000955500000000, 0.0002911100000000, 0.0012690600000000 ] - [ -0.0001651900000000, 0.0002851100000000, -0.0002747200000000 ] - [ -0.0015114300000000, -0.0016970900000000, 0.0099008300000000 ] - [ 0.0003390600000000, 0.0005104200000000, 0.0006213000000000 ] - [ -0.0016379500000000, -0.0074504800000000, 0.0006390800000000 ] - [ -0.0002893600000000, 0.0012490800000000, -0.0002140100000000 ] - [ -0.0008761500000000, -0.0015579400000000, -0.0009175900000000 ] - [ -0.0003153300000000, -0.0000944200000000, -0.0003293300000000 ] - [ -0.0006464700000000, -0.0001565000000000, 0.0012240700000000 ] - [ -0.0000662700000000, 0.0001939100000000, 0.0001395000000000 ] - [ 0.0011946700000000, 0.0005851900000000, 0.0004310900000000 ] - [ 0.0000663600000000, 0.0000436200000000, 0.0002576900000000 ] - [ -0.0017732300000000, 0.0007031000000000, 0.0002660300000000 ] - [ -0.0014944400000000, -0.0013057800000000, 0.0006563000000000 ] - [ 0.0003436000000000, -0.0005099700000000, -0.0013958200000000 ] - [ 0.0002976200000000, -0.0010161800000000, -0.0016544100000000 ] - [ -0.0204272900000000, 0.0190122200000000, 0.0033216400000000 ] - [ -0.0000003400000000, -0.0008159000000000, 0.0003044800000000 ] - [ 0.0002837000000000, -0.0000263300000000, -0.0000960900000000 ] - [ 0.0002413700000000, -0.0002244600000000, -0.0003337100000000 ] - [ -0.0001848300000000, -0.0001278800000000, -0.0012180500000000 ] - [ 0.0003508600000000, -0.0000306300000000, -0.0004249900000000 ] - [ 0.0006484300000000, -0.0017175000000000, 0.0079575400000000 ] - [ -0.0003832100000000, 0.0000159400000000, 0.0005833700000000 ] - [ -0.0004252700000000, -0.0000120200000000, 0.0003985800000000 ] - [ -0.0003507400000000, 0.0001434600000000, 0.0004443200000000 ] - [ -0.0028921600000000, 0.0001953600000000, -0.0001012100000000 ] - [ -0.0007740700000000, -0.0000980700000000, -0.0003891300000000 ] - [ -0.0026554200000000, -0.0005455900000000, 0.0016958300000000 ] - [ -0.0008870500000000, 0.0002008600000000, 0.0001131800000000 ] - [ -0.0013826200000000, -0.0004710100000000, 0.0032362400000000 ] - [ 0.0000229300000000, 0.0000407400000000, 0.0010595300000000 ] - [ -0.0014364000000000, -0.0001024200000000, 0.0034812200000000 ] - [ -0.0006106100000000, 0.0000816200000000, 0.0010529800000000 ] - [ -0.0001053400000000, -0.0013483700000000, 0.0022124000000000 ] - [ 0.0003408500000000, -0.0004537900000000, 0.0006228400000000 ] - [ -0.0005410100000000, 0.0003939000000000, -0.0007456800000000 ] - [ 0.0002649900000000, 0.0000509800000000, -0.0005939600000000 ] - [ -0.0010160600000000, -0.0004979000000000, 0.0006659400000000 ] - [ -0.0010946300000000, 0.0008502400000000, 0.0007507900000000 ] - [ 0.0000329000000000, -0.0006310000000000, 0.0008060200000000 ] - [ 0.0001367200000000, 0.0012311600000000, 0.0004633500000000 ] - [ 0.0000301600000000, 0.0001851000000000, 0.0002627300000000 ] - [ 0.0000722100000000, 0.0005061400000000, 0.0003114400000000 ] - [ -0.0014246200000000, -0.0001620200000000, -0.0004732100000000 ] - [ -0.0000001400000000, -0.0002381400000000, 0.0000875700000000 ] - [ -0.0157139800000000, -0.0060184000000000, -0.0065379000000000 ] - [ -0.0001200000000000, 0.0009233600000000, -0.0004959500000000 ] - [ -0.1124755100000000, 0.0218140000000000, 0.0236895900000000 ] - [ -0.0010872100000000, -0.0004656900000000, 0.0009419200000000 ] - [ -0.0029696000000000, 0.0041155000000000, 0.0003606700000000 ] - [ -0.0013294700000000, -0.0074685900000000, 0.0026133700000000 ] - [ -0.0000473900000000, 0.0007467300000000, 0.0001951300000000 ] - [ -0.0000905600000000, 0.0002857700000000, -0.0001214300000000 ] - [ -0.0009032000000000, 0.0000413100000000, -0.0007036600000000 ] - [ -0.0001477800000000, 0.0002388500000000, 0.0004439600000000 ] - [ 0.0011237900000000, 0.0005625400000000, 0.0004378300000000 ] - [ 0.0007720800000000, -0.0009317600000000, 0.0005621200000000 ] - [ 0.0020181100000000, -0.0005000500000000, 0.0000864900000000 ] - [ 0.0004983700000000, -0.0002490000000000, -0.0002654100000000 ] - [ 0.0039400300000000, 0.0048942400000000, -0.0042184300000000 ] - [ 0.0005235000000000, -0.0006793300000000, -0.0020811600000000 ] - [ 0.0015247000000000, 0.0034793700000000, -0.0050984900000000 ] - [ 0.0003773800000000, -0.0001648500000000, -0.0004433200000000 ] - [ -0.0013591800000000, -0.0053396200000000, -0.0103087500000000 ] - [ -0.0005886200000000, 0.0011176300000000, -0.0007954200000000 ] - [ -0.0005699400000000, -0.0005271900000000, -0.0013191300000000 ] - [ 0.0002979600000000, 0.0005067000000000, -0.0000657200000000 ] - [ 0.0040500300000000, -0.0006031700000000, 0.0029243500000000 ] - [ 0.0004432400000000, 0.0000801200000000, 0.0000675500000000 ] - [ -0.0182387200000000, -0.0012347600000000, 0.0293040600000000 ] - [ -0.0002681100000000, -0.0001015700000000, 0.0001072900000000 ] - [ 0.0027130700000000, 0.0032000000000000, -0.0036945600000000 ] - [ 0.0013130300000000, -0.0009002600000000, -0.0016660800000000 ] - [ -0.0016819600000000, 0.0013157000000000, 0.0049303400000000 ] - [ 0.0002347100000000, -0.0003559800000000, 0.0024799800000000 ] - [ 0.0030421500000000, -0.0017381200000000, -0.0057932000000000 ] - [ 0.0001553800000000, 0.0003199800000000, -0.0000377900000000 ] - [ -0.0065406400000000, 0.0004226900000000, 0.0173256500000000 ] - [ -0.0005361200000000, 0.0002279800000000, 0.0001631200000000 ] - [ -0.0000924000000000, -0.0004336200000000, 0.0002576800000000 ] - [ -0.0000258600000000, 0.0000883800000000, 0.0001881500000000 ] - [ -0.0011732300000000, -0.0022618900000000, -0.0059530800000000 ] - [ 0.0000670400000000, 0.0003639600000000, -0.0008564500000000 ] - [ 0.0004655800000000, -0.0065089500000000, 0.0046973700000000 ] - [ -0.0007210600000000, 0.0055944500000000, 0.0012761900000000 ] - [ 0.0004512800000000, -0.0000733000000000, 0.0005841800000000 ] - [ 0.0007919900000000, 0.0006239400000000, 0.0003127600000000 ] - [ -0.0012040800000000, -0.0012660800000000, 0.0030929300000000 ] - [ -0.0001099700000000, -0.0001484400000000, 0.0000025000000000 ] - [ 0.0054489400000000, 0.0006286800000000, -0.0025666600000000 ] - [ 0.0004496700000000, -0.0006068500000000, 0.0000445900000000 ] - [ -0.0015641900000000, 0.0013982000000000, 0.0002472300000000 ] - [ -0.0013966900000000, -0.0003480000000000, 0.0007354700000000 ] - [ 0.0013489400000000, 0.0000216800000000, -0.0014801000000000 ] - [ 0.0008212600000000, 0.0003428100000000, -0.0011964300000000 ]- atom: 17 displacement: [ 0.0053469176449015, 0.0000000000000000, -0.0084504716849795 ] forces: - [ -0.0048667000000000, -0.0030644100000000, -0.0024910300000000 ] - [ -0.0001949700000000, 0.0003647700000000, 0.0000888400000000 ] - [ 0.0007287400000000, 0.0003500100000000, -0.0031863400000000 ] - [ -0.0000049000000000, 0.0002042600000000, -0.0001758800000000 ] - [ 0.0049672600000000, -0.0004053500000000, 0.0099530800000000 ] - [ -0.0002385500000000, -0.0003187200000000, 0.0006035200000000 ] - [ 0.0197924600000000, 0.0013039000000000, -0.0033503100000000 ] - [ 0.0004644700000000, -0.0002323600000000, -0.0004718000000000 ] - [ 0.0000455800000000, -0.0008097200000000, 0.0006754400000000 ] - [ -0.0001794900000000, 0.0002969300000000, 0.0005365300000000 ] - [ 0.0012300900000000, -0.0076275100000000, -0.0042038700000000 ] - [ -0.0001189500000000, 0.0011329800000000, -0.0008198000000000 ] - [ 0.0001320900000000, -0.0023553900000000, -0.0013942200000000 ] - [ 0.0008803800000000, 0.0025181400000000, -0.0015198600000000 ] - [ -0.0003486600000000, -0.0001945300000000, 0.0003707900000000 ] - [ -0.0002333100000000, 0.0002568700000000, -0.0000189300000000 ] - [ -0.1812944500000000, 0.0262448200000000, 0.0734513000000000 ] - [ -0.0002352700000000, 0.0000737400000000, 0.0007125200000000 ] - [ -0.0028877700000000, 0.0009397700000000, 0.0006684400000000 ] - [ -0.0030419800000000, -0.0011606200000000, 0.0005726500000000 ] - [ -0.0009050500000000, 0.0001428200000000, 0.0002022400000000 ] - [ -0.0005687600000000, 0.0002377500000000, -0.0000703600000000 ] - [ -0.0000864500000000, -0.0000735200000000, 0.0006534900000000 ] - [ 0.0003568000000000, 0.0000090800000000, 0.0005567900000000 ] - [ -0.0023763200000000, 0.0032039200000000, -0.0003655300000000 ] - [ -0.0007340200000000, -0.0001983300000000, 0.0010155200000000 ] - [ 0.0002089300000000, -0.0003174700000000, -0.0003578900000000 ] - [ 0.0003857600000000, -0.0001550700000000, -0.0004696600000000 ] - [ -0.0001158600000000, 0.0012825800000000, 0.0007672300000000 ] - [ 0.0008080900000000, -0.0045782400000000, 0.0050525800000000 ] - [ -0.0095670900000000, 0.0019357300000000, 0.0034790300000000 ] - [ -0.0008268200000000, -0.0001145000000000, 0.0009394600000000 ] - [ -0.0001476100000000, 0.0004042700000000, -0.0017525200000000 ] - [ -0.0000863200000000, 0.0004051800000000, -0.0001933300000000 ] - [ 0.0017502800000000, 0.0023769300000000, -0.0093314400000000 ] - [ -0.0000765100000000, 0.0001911500000000, -0.0001590400000000 ] - [ 0.0018866900000000, 0.0068403300000000, -0.0001523100000000 ] - [ 0.0005388500000000, -0.0019532600000000, 0.0006942400000000 ] - [ 0.0006290800000000, 0.0008759400000000, 0.0004626400000000 ] - [ 0.0000588000000000, -0.0006027700000000, -0.0001336500000000 ] - [ 0.0010542400000000, 0.0005740400000000, -0.0018721000000000 ] - [ 0.0004558500000000, 0.0002197900000000, -0.0007619400000000 ] - [ -0.0016037300000000, -0.0001524700000000, 0.0002229800000000 ] - [ -0.0004609200000000, 0.0003684300000000, 0.0003691900000000 ] - [ 0.0013878000000000, -0.0011149700000000, 0.0003569700000000 ] - [ 0.0011073000000000, 0.0008929700000000, -0.0000317700000000 ] - [ 0.0000558400000000, 0.0000774500000000, 0.0007627600000000 ] - [ 0.0000938200000000, 0.0005936700000000, 0.0010315100000000 ] - [ 0.0194510100000000, -0.0188608000000000, -0.0028096800000000 ] - [ -0.0007859400000000, 0.0007573900000000, 0.0002522700000000 ] - [ 0.0005025800000000, -0.0000377200000000, -0.0004615500000000 ] - [ 0.0005452700000000, 0.0001608900000000, -0.0002232600000000 ] - [ 0.0009753500000000, 0.0002051100000000, 0.0006703900000000 ] - [ 0.0004317800000000, 0.0000913500000000, -0.0001358800000000 ] - [ -0.0014694500000000, 0.0018100800000000, -0.0074888400000000 ] - [ -0.0003999600000000, 0.0000508000000000, -0.0000218200000000 ] - [ 0.0012775500000000, 0.0000154200000000, 0.0004660400000000 ] - [ 0.0012114100000000, -0.0001390300000000, 0.0004233000000000 ] - [ 0.0020784800000000, -0.0001888500000000, -0.0007620400000000 ] - [ -0.0000666800000000, 0.0001024000000000, -0.0004753200000000 ] - [ 0.0018064900000000, 0.0005390500000000, -0.0025851100000000 ] - [ 0.0000350300000000, -0.0002042200000000, -0.0009791500000000 ] - [ 0.0022340500000000, 0.0004769500000000, -0.0023898700000000 ] - [ 0.0008211100000000, -0.0000536000000000, -0.0001936600000000 ] - [ 0.0004536800000000, -0.0001050400000000, -0.0023371400000000 ] - [ -0.0003773300000000, -0.0002962000000000, 0.0001086600000000 ] - [ 0.0010876600000000, 0.0011254200000000, -0.0033860000000000 ] - [ 0.0006411500000000, 0.0002471300000000, -0.0017946100000000 ] - [ 0.0015303300000000, -0.0001883000000000, -0.0004252900000000 ] - [ 0.0007151900000000, 0.0001634900000000, -0.0005724300000000 ] - [ 0.0000399800000000, 0.0007151300000000, 0.0005086800000000 ] - [ 0.0001247500000000, -0.0006503300000000, 0.0004337700000000 ] - [ -0.0002999000000000, 0.0013408100000000, -0.0012771700000000 ] - [ -0.0004009300000000, -0.0005476600000000, -0.0009337700000000 ] - [ 0.0002247800000000, 0.0005075900000000, 0.0002125600000000 ] - [ 0.0001875900000000, 0.0001853800000000, 0.0001603000000000 ] - [ 0.0016896500000000, -0.0005270300000000, 0.0009411000000000 ] - [ 0.0002606200000000, -0.0004629500000000, 0.0003757500000000 ] - [ 0.0154754600000000, 0.0053140300000000, 0.0059514300000000 ] - [ -0.0001339000000000, -0.0016221900000000, 0.0000266300000000 ] - [ 0.1100022900000000, -0.0217564200000000, -0.0243116200000000 ] - [ 0.0009632700000000, -0.0001488100000000, -0.0003556000000000 ] - [ 0.0031571000000000, -0.0047526500000000, -0.0009535600000000 ] - [ 0.0015020400000000, 0.0068924200000000, -0.0032805600000000 ] - [ 0.0001675900000000, -0.0001293600000000, -0.0008034300000000 ] - [ 0.0002188800000000, 0.0003266900000000, -0.0004674300000000 ] - [ 0.0007658300000000, 0.0005755700000000, 0.0012917700000000 ] - [ 0.0000135300000000, 0.0003747600000000, 0.0001371000000000 ] - [ -0.0012622200000000, -0.0011859700000000, 0.0001415900000000 ] - [ -0.0009086800000000, 0.0003293800000000, 0.0000103200000000 ] - [ -0.0019198200000000, -0.0001122400000000, -0.0006706700000000 ] - [ -0.0003763300000000, -0.0003643700000000, -0.0003181800000000 ] - [ -0.0037949600000000, -0.0042521300000000, 0.0036614000000000 ] - [ -0.0003962000000000, 0.0012912700000000, 0.0015081600000000 ] - [ -0.0016474000000000, -0.0029080100000000, 0.0057308700000000 ] - [ -0.0005009100000000, 0.0007853200000000, 0.0010325600000000 ] - [ 0.0010595400000000, 0.0052186500000000, 0.0104106400000000 ] - [ 0.0002874100000000, -0.0012060300000000, 0.0008723600000000 ] - [ 0.0008579900000000, 0.0004414400000000, 0.0012564200000000 ] - [ -0.0000002800000000, -0.0005875700000000, 0.0000028300000000 ] - [ -0.0037835400000000, 0.0006997400000000, -0.0030457000000000 ] - [ -0.0001422600000000, 0.0000018700000000, -0.0001388700000000 ] - [ 0.0201654000000000, 0.0015018900000000, -0.0309265200000000 ] - [ -0.0000266100000000, 0.0001844400000000, -0.0000415900000000 ] - [ -0.0025735600000000, -0.0034934000000000, 0.0027425300000000 ] - [ -0.0011556100000000, 0.0006747400000000, 0.0006908900000000 ] - [ 0.0015427700000000, -0.0015658100000000, -0.0039845100000000 ] - [ -0.0003900400000000, 0.0001058200000000, -0.0015056000000000 ] - [ -0.0032569500000000, 0.0020052100000000, 0.0067967900000000 ] - [ -0.0003265700000000, -0.0000809200000000, 0.0010185000000000 ] - [ 0.0070014500000000, -0.0002750500000000, -0.0181579500000000 ] - [ 0.0006927200000000, 0.0000171800000000, -0.0011431300000000 ] - [ -0.0002058400000000, 0.0003527300000000, -0.0002019100000000 ] - [ -0.0002754900000000, -0.0001754100000000, -0.0001211100000000 ] - [ 0.0015110400000000, 0.0022136900000000, 0.0059337000000000 ] - [ 0.0002356200000000, -0.0004527000000000, 0.0007914800000000 ] - [ -0.0001844900000000, 0.0066231500000000, -0.0047464200000000 ] - [ 0.0010146000000000, -0.0055590400000000, -0.0013318700000000 ] - [ -0.0007628800000000, 0.0001602200000000, -0.0005175900000000 ] - [ -0.0011061200000000, -0.0005472100000000, -0.0002489000000000 ] - [ 0.0013359000000000, 0.0009703400000000, -0.0041323100000000 ] - [ 0.0002675700000000, -0.0000959900000000, -0.0009875900000000 ] - [ -0.0056498400000000, -0.0008687600000000, 0.0035895300000000 ] - [ -0.0006163300000000, 0.0003641800000000, 0.0009367500000000 ] - [ 0.0014215600000000, -0.0011074600000000, 0.0006765000000000 ] - [ 0.0012358400000000, 0.0005873700000000, 0.0002372800000000 ] - [ -0.0011803500000000, 0.0002154200000000, 0.0005098200000000 ] - [ -0.0006622400000000, -0.0001017300000000, 0.0002183500000000 ]- atom: 25 displacement: [ 0.0099999779436379, 0.0000000000000000, 0.0000210030177685 ] forces: - [ -0.0006319200000000, -0.0037895100000000, -0.0016703300000000 ] - [ -0.0002077600000000, 0.0063679100000000, 0.0008952600000000 ] - [ -0.0000420400000000, -0.0002024400000000, -0.0003977200000000 ] - [ -0.0008666900000000, 0.0006796800000000, -0.0005268700000000 ] - [ -0.0054971600000000, -0.0007433700000000, 0.0015291000000000 ] - [ -0.0009821300000000, -0.0008375800000000, 0.0002043700000000 ] - [ -0.0003304600000000, -0.0002826500000000, -0.0008544500000000 ] - [ -0.0000362300000000, -0.0001332600000000, -0.0007756100000000 ] - [ 0.0038615900000000, 0.0010277100000000, -0.0050713400000000 ] - [ -0.0005335700000000, -0.0003949300000000, -0.0000168200000000 ] - [ 0.0008268200000000, -0.0000844200000000, 0.0017945200000000 ] - [ 0.0005328200000000, -0.0001763400000000, -0.0000233600000000 ] - [ 0.0007747000000000, -0.0004184800000000, -0.0000326900000000 ] - [ 0.0032043600000000, 0.0008598300000000, 0.0005911800000000 ] - [ -0.0008189700000000, -0.0005193300000000, -0.0001075100000000 ] - [ -0.0085138300000000, 0.0001342900000000, -0.0002307000000000 ] - [ 0.0036697900000000, -0.0010014900000000, 0.0047094300000000 ] - [ 0.0005897100000000, 0.0000774200000000, 0.0008221500000000 ] - [ 0.0000127900000000, 0.0000082700000000, -0.0000286700000000 ] - [ 0.0010269600000000, 0.0005788200000000, 0.0008246200000000 ] - [ -0.0019855900000000, 0.0006447000000000, -0.0007081700000000 ] - [ 0.0027202100000000, -0.0114823500000000, 0.0011444000000000 ] - [ 0.0148698500000000, 0.0107442500000000, 0.0204811000000000 ] - [ -0.0000359000000000, -0.0004712300000000, 0.0005356800000000 ] - [ -0.0816320500000000, 0.0048275900000000, -0.0733580200000000 ] - [ -0.0010521100000000, -0.0005127300000000, 0.0002290700000000 ] - [ 0.0014277000000000, 0.0021403300000000, -0.0003853800000000 ] - [ 0.0014213100000000, -0.0008923700000000, 0.0005862900000000 ] - [ 0.0004810800000000, -0.0000242800000000, -0.0002441200000000 ] - [ 0.0010022600000000, 0.0029746400000000, 0.0121050600000000 ] - [ 0.0009678300000000, 0.0008033400000000, 0.0020915900000000 ] - [ -0.0001299300000000, -0.0000599500000000, 0.0013135700000000 ] - [ -0.0073940000000000, -0.0103139300000000, -0.0087272300000000 ] - [ -0.0007243800000000, 0.0001644300000000, -0.0004393100000000 ] - [ 0.0029522100000000, -0.0008067000000000, -0.0010335700000000 ] - [ 0.0003493600000000, 0.0008702400000000, 0.0000585800000000 ] - [ 0.0001251300000000, -0.0006955400000000, 0.0003697100000000 ] - [ -0.0004537100000000, 0.0009367100000000, 0.0005386600000000 ] - [ -0.0007423500000000, -0.0001285300000000, -0.0004013200000000 ] - [ -0.0007875100000000, -0.0012853100000000, -0.0014294400000000 ] - [ 0.0026516000000000, 0.0003287300000000, -0.0004592600000000 ] - [ 0.0005860000000000, 0.0001252800000000, -0.0002942400000000 ] - [ 0.0025083100000000, -0.0001212300000000, 0.0011366900000000 ] - [ 0.0001335100000000, 0.0001091000000000, 0.0004550400000000 ] - [ 0.0001205800000000, -0.0002415600000000, 0.0002853200000000 ] - [ 0.0007617200000000, -0.0001612900000000, 0.0003584400000000 ] - [ 0.0002160000000000, -0.0002365500000000, 0.0000297000000000 ] - [ 0.0011261200000000, -0.0010847800000000, 0.0013230800000000 ] - [ 0.0004554000000000, -0.0004516000000000, 0.0009202400000000 ] - [ 0.0000185900000000, 0.0003411800000000, 0.0009146700000000 ] - [ -0.0003874700000000, 0.0001376100000000, -0.0010743700000000 ] - [ 0.0000725800000000, -0.0003344400000000, -0.0003771700000000 ] - [ 0.0004388500000000, 0.0016527200000000, -0.0010318700000000 ] - [ 0.0013572800000000, -0.0012762600000000, -0.0012087400000000 ] - [ 0.0001257100000000, 0.0000624600000000, 0.0007949700000000 ] - [ -0.0000874900000000, 0.0000364800000000, 0.0004613400000000 ] - [ 0.0003544200000000, 0.0000291300000000, 0.0002493800000000 ] - [ 0.0013298100000000, -0.0007020100000000, -0.0001147300000000 ] - [ -0.0008304300000000, 0.0003089700000000, -0.0013973100000000 ] - [ -0.0006552200000000, -0.0002353100000000, -0.0007496700000000 ] - [ 0.0016191900000000, -0.0001908700000000, -0.0003651000000000 ] - [ 0.0000799600000000, -0.0001078300000000, -0.0003761300000000 ] - [ 0.0010992600000000, -0.0001592500000000, 0.0002352900000000 ] - [ 0.0011461200000000, 0.0002837400000000, 0.0001685900000000 ] - [ -0.0000167500000000, -0.0000569400000000, 0.0008646400000000 ] - [ -0.0000196300000000, -0.0003135100000000, 0.0008028700000000 ] - [ 0.0014628000000000, 0.0003946000000000, -0.0019638400000000 ] - [ 0.0005537100000000, -0.0002777900000000, -0.0007403900000000 ] - [ 0.0005868600000000, 0.0004384900000000, -0.0005802600000000 ] - [ 0.0007522400000000, -0.0002597900000000, -0.0006436900000000 ] - [ -0.0006501500000000, -0.0000607800000000, 0.0002226700000000 ] - [ -0.0011428600000000, 0.0002107800000000, -0.0014446300000000 ] - [ 0.0002822700000000, 0.0002297700000000, -0.0001360800000000 ] - [ 0.0007336500000000, 0.0002357500000000, 0.0000423400000000 ] - [ 0.0003070400000000, 0.0009052600000000, 0.0000593200000000 ] - [ 0.0019022700000000, -0.0005845600000000, 0.0002739800000000 ] - [ -0.0004783600000000, 0.0000996800000000, 0.0012318800000000 ] - [ 0.0001349600000000, -0.0006268600000000, 0.0002525200000000 ] - [ 0.0011098400000000, -0.0002368000000000, 0.0008475300000000 ] - [ 0.0001134200000000, -0.0003858000000000, 0.0000287600000000 ] - [ -0.0034849900000000, 0.0003015400000000, -0.0011678400000000 ] - [ -0.0005185800000000, -0.0005013900000000, -0.0005270000000000 ] - [ -0.0003424000000000, 0.0000216600000000, -0.0006671400000000 ] - [ -0.0011607600000000, -0.0026912700000000, -0.0033968000000000 ] - [ 0.0007938000000000, -0.0019995400000000, 0.0003263400000000 ] - [ -0.0045929400000000, 0.0024846700000000, -0.0008023500000000 ] - [ 0.0493993400000000, 0.0166911400000000, 0.0424018200000000 ] - [ 0.0008817300000000, 0.0009412300000000, 0.0005084200000000 ] - [ 0.0001683400000000, -0.0000880800000000, 0.0008341600000000 ] - [ -0.0005577600000000, 0.0023358600000000, 0.0041748000000000 ] - [ 0.0008146700000000, -0.0012952200000000, 0.0002295900000000 ] - [ 0.0001635800000000, 0.0002202700000000, -0.0002435800000000 ] - [ -0.0038452600000000, 0.0001454000000000, 0.0004010500000000 ] - [ -0.0005118500000000, 0.0004050900000000, -0.0001616800000000 ] - [ -0.0009214800000000, 0.0004424300000000, -0.0000641800000000 ] - [ -0.0011024200000000, 0.0003660000000000, -0.0000501500000000 ] - [ -0.0018321200000000, 0.0018538000000000, 0.0003119700000000 ] - [ -0.0024114200000000, -0.0024621800000000, 0.0008780200000000 ] - [ 0.0023381300000000, 0.0016172000000000, 0.0013117400000000 ] - [ 0.0067417000000000, -0.0013443300000000, 0.0017119400000000 ] - [ 0.0021855100000000, -0.0030138100000000, 0.0025341800000000 ] - [ 0.0006733900000000, 0.0008934800000000, 0.0011665100000000 ] - [ 0.0007726600000000, 0.0010656600000000, -0.0016456800000000 ] - [ 0.0000522100000000, -0.0001598900000000, -0.0000460100000000 ] - [ 0.0000391200000000, 0.0003198200000000, -0.0000015500000000 ] - [ 0.0006142400000000, -0.0006950300000000, 0.0009764000000000 ] - [ 0.0016743600000000, 0.0008480600000000, 0.0001247500000000 ] - [ 0.0111473600000000, -0.0006582800000000, 0.0021930200000000 ] - [ -0.0006346800000000, 0.0003146600000000, 0.0041902800000000 ] - [ 0.0001897500000000, 0.0001450200000000, 0.0010820200000000 ] - [ 0.0207919500000000, -0.0110026400000000, 0.0032191500000000 ] - [ 0.0010680400000000, -0.0006308400000000, -0.0009946400000000 ] - [ -0.0093666700000000, -0.0012528100000000, 0.0019313300000000 ] - [ -0.0003723000000000, 0.0007131100000000, -0.0000006600000000 ] - [ -0.0024729600000000, -0.0004650100000000, -0.0008320400000000 ] - [ -0.0004783300000000, 0.0000299700000000, -0.0002593500000000 ] - [ -0.0004661500000000, 0.0003714900000000, -0.0007085000000000 ] - [ -0.0020899400000000, -0.0000181400000000, -0.0022608600000000 ] - [ 0.0000554800000000, 0.0001027700000000, 0.0002001300000000 ] - [ -0.0002856500000000, 0.0007982600000000, -0.0010509400000000 ] - [ -0.0033745700000000, -0.0025774200000000, -0.0062818800000000 ] - [ -0.0000221500000000, 0.0005117400000000, -0.0012078300000000 ] - [ -0.0015838900000000, -0.0004543800000000, 0.0000395800000000 ] - [ -0.0006555100000000, 0.0000888900000000, 0.0003612600000000 ] - [ -0.0008391100000000, -0.0004434600000000, -0.0002789100000000 ] - [ -0.0017855800000000, 0.0007851900000000, -0.0011644000000000 ] - [ -0.0005272900000000, -0.0000865300000000, -0.0003924600000000 ] - [ -0.0016184900000000, 0.0006185400000000, -0.0002655700000000 ]- atom: 25 displacement: [ -0.0099999779436379, 0.0000000000000000, -0.0000210030177685 ] forces: - [ 0.0010283100000000, 0.0042247900000000, 0.0010621800000000 ] - [ 0.0006251200000000, -0.0059895100000000, -0.0015457900000000 ] - [ -0.0003295400000000, 0.0006080000000000, 0.0010243000000000 ] - [ 0.0004874200000000, -0.0002674800000000, 0.0011530200000000 ] - [ 0.0051399300000000, 0.0003318400000000, -0.0009024800000000 ] - [ 0.0005801000000000, 0.0004532600000000, 0.0004363300000000 ] - [ 0.0007399600000000, -0.0001351000000000, 0.0002202900000000 ] - [ 0.0004236800000000, -0.0002813400000000, 0.0001474800000000 ] - [ -0.0045905800000000, -0.0010784400000000, 0.0055707700000000 ] - [ -0.0002405200000000, 0.0003308600000000, 0.0005793600000000 ] - [ -0.0000566200000000, 0.0000103800000000, -0.0023585900000000 ] - [ 0.0002438300000000, 0.0001092600000000, -0.0005391400000000 ] - [ 0.0000022400000000, 0.0004813400000000, -0.0005361900000000 ] - [ -0.0024606600000000, -0.0008021100000000, -0.0011711600000000 ] - [ 0.0000405000000000, 0.0005805700000000, 0.0006684700000000 ] - [ 0.0077158500000000, -0.0000510100000000, 0.0006751300000000 ] - [ -0.0028245500000000, 0.0010016900000000, -0.0038550500000000 ] - [ 0.0002721100000000, -0.0000739300000000, 0.0000514300000000 ] - [ -0.0008690300000000, -0.0000048800000000, -0.0008354400000000 ] - [ -0.0018751400000000, -0.0005761700000000, -0.0016876700000000 ] - [ 0.0011206600000000, -0.0006439700000000, -0.0001566700000000 ] - [ -0.0036146000000000, 0.0114066200000000, -0.0020059200000000 ] - [ -0.0138580100000000, -0.0105901800000000, -0.0193570600000000 ] - [ 0.0008902600000000, 0.0004738500000000, 0.0003309700000000 ] - [ 0.0813662500000000, -0.0058637400000000, 0.0747883700000000 ] - [ 0.0000703600000000, 0.0003059000000000, 0.0009316600000000 ] - [ -0.0004419100000000, -0.0023451600000000, -0.0007726200000000 ] - [ -0.0004448300000000, 0.0006718100000000, -0.0017470000000000 ] - [ 0.0004960000000000, 0.0002407100000000, -0.0009181800000000 ] - [ 0.0000130200000000, -0.0027659000000000, -0.0133187500000000 ] - [ -0.0019411100000000, -0.0005789100000000, -0.0009290600000000 ] - [ -0.0008513600000000, 0.0002782500000000, -0.0001614400000000 ] - [ 0.0072086100000000, 0.0109574600000000, 0.0082024400000000 ] - [ 0.0004650000000000, 0.0005361200000000, -0.0000289400000000 ] - [ -0.0027042900000000, 0.0015275100000000, 0.0015123300000000 ] - [ -0.0000770800000000, -0.0001661800000000, 0.0004055900000000 ] - [ 0.0001403200000000, -0.0000007200000000, 0.0001006700000000 ] - [ 0.0007165400000000, -0.0016415300000000, -0.0000641100000000 ] - [ 0.0004820500000000, -0.0005678600000000, -0.0000649100000000 ] - [ 0.0005202200000000, 0.0005837900000000, 0.0009637800000000 ] - [ -0.0022435400000000, 0.0000876800000000, -0.0001814700000000 ] - [ -0.0001964600000000, 0.0002916500000000, -0.0003293800000000 ] - [ -0.0028915400000000, 0.0005499100000000, -0.0004951300000000 ] - [ -0.0005243900000000, 0.0003169200000000, 0.0001666500000000 ] - [ -0.0005121000000000, -0.0001720400000000, 0.0003432800000000 ] - [ -0.0011678900000000, -0.0002656900000000, 0.0002645200000000 ] - [ 0.0001684500000000, -0.0001784700000000, -0.0006657200000000 ] - [ -0.0007459400000000, 0.0006393300000000, -0.0019507600000000 ] - [ -0.0012312900000000, 0.0003963800000000, -0.0003523900000000 ] - [ -0.0007955000000000, -0.0004050400000000, -0.0003507800000000 ] - [ 0.0011532800000000, -0.0001981100000000, 0.0005073400000000 ] - [ 0.0007045800000000, 0.0002849100000000, -0.0001942700000000 ] - [ 0.0003419500000000, -0.0015776300000000, 0.0004594300000000 ] - [ -0.0005862500000000, 0.0013301800000000, 0.0006381600000000 ] - [ -0.0009055300000000, 0.0000054800000000, -0.0002313300000000 ] - [ -0.0006876500000000, 0.0000207000000000, 0.0001103000000000 ] - [ 0.0004990400000000, -0.0000275900000000, 0.0006118100000000 ] - [ -0.0004643600000000, 0.0007028200000000, 0.0009727600000000 ] - [ -0.0000144500000000, -0.0003052000000000, 0.0005179500000000 ] - [ -0.0002021500000000, 0.0002354100000000, -0.0001156600000000 ] - [ -0.0024805000000000, 0.0001890400000000, -0.0005049500000000 ] - [ -0.0009396000000000, 0.0001060800000000, -0.0004875800000000 ] - [ -0.0002453200000000, 0.0001578500000000, 0.0006327100000000 ] - [ -0.0002887100000000, -0.0002916800000000, 0.0007036200000000 ] - [ -0.0009651800000000, -0.0001533400000000, 0.0002970200000000 ] - [ -0.0009667900000000, 0.0000942900000000, 0.0003537600000000 ] - [ -0.0004905200000000, -0.0006018000000000, 0.0008171900000000 ] - [ 0.0004253700000000, 0.0000603400000000, -0.0004125700000000 ] - [ 0.0003899400000000, -0.0002285000000000, -0.0005864300000000 ] - [ 0.0002258300000000, 0.0004786600000000, -0.0005149700000000 ] - [ -0.0003280600000000, 0.0002750900000000, 0.0009422600000000 ] - [ 0.0001742700000000, 0.0000045900000000, 0.0026099000000000 ] - [ -0.0005433500000000, 0.0004713600000000, -0.0003326700000000 ] - [ -0.0009985800000000, 0.0004632600000000, -0.0005090500000000 ] - [ -0.0000427700000000, -0.0001994800000000, 0.0004051800000000 ] - [ -0.0016364300000000, 0.0012749400000000, 0.0001939800000000 ] - [ 0.0007220300000000, -0.0007999300000000, -0.0007656400000000 ] - [ 0.0001301100000000, -0.0000801000000000, 0.0002083000000000 ] - [ -0.0013715900000000, -0.0004644500000000, -0.0013113200000000 ] - [ -0.0003740600000000, -0.0003178800000000, -0.0004960000000000 ] - [ 0.0033696200000000, -0.0009203200000000, 0.0017564800000000 ] - [ 0.0003932800000000, -0.0001098500000000, 0.0011136800000000 ] - [ 0.0004638800000000, -0.0006397900000000, 0.0000825400000000 ] - [ 0.0012795700000000, 0.0020833800000000, 0.0027949100000000 ] - [ -0.0006688400000000, 0.0026052500000000, -0.0009115200000000 ] - [ 0.0047349100000000, -0.0018643100000000, 0.0002197900000000 ] - [ -0.0501009200000000, -0.0160189900000000, -0.0417284300000000 ] - [ -0.0010026100000000, -0.0003302600000000, 0.0000725800000000 ] - [ -0.0002906800000000, -0.0005311100000000, -0.0002482500000000 ] - [ 0.0004321000000000, -0.0029256800000000, -0.0035740600000000 ] - [ -0.0006904100000000, 0.0006853200000000, -0.0008070400000000 ] - [ -0.0000413500000000, -0.0008398000000000, -0.0003349100000000 ] - [ 0.0040007100000000, 0.0004667400000000, -0.0009953400000000 ] - [ 0.0006335200000000, 0.0002050800000000, -0.0004261700000000 ] - [ 0.0007993800000000, 0.0001681300000000, 0.0006491300000000 ] - [ 0.0009822700000000, 0.0002509000000000, 0.0006350500000000 ] - [ 0.0015370400000000, -0.0019594700000000, -0.0002495400000000 ] - [ 0.0021080700000000, 0.0023950500000000, -0.0008124100000000 ] - [ -0.0020306100000000, -0.0016683700000000, -0.0013876700000000 ] - [ -0.0064646500000000, 0.0012080900000000, -0.0017672400000000 ] - [ -0.0018876600000000, 0.0031007100000000, -0.0025925100000000 ] - [ -0.0003619100000000, -0.0008103800000000, -0.0012379500000000 ] - [ -0.0010803700000000, -0.0009742100000000, 0.0017201500000000 ] - [ -0.0003597900000000, 0.0002402400000000, 0.0001060400000000 ] - [ 0.0001146300000000, -0.0005686500000000, -0.0009704000000000 ] - [ -0.0004549200000000, 0.0004532500000000, -0.0019629100000000 ] - [ -0.0018369500000000, -0.0011093300000000, 0.0008482300000000 ] - [ -0.0113334500000000, 0.0004662800000000, -0.0011693500000000 ] - [ 0.0004423600000000, -0.0000749500000000, -0.0032168200000000 ] - [ -0.0003552000000000, 0.0000983500000000, -0.0001016100000000 ] - [ -0.0209817900000000, 0.0119296300000000, -0.0045752500000000 ] - [ -0.0009236200000000, 0.0008731900000000, 0.0000162600000000 ] - [ 0.0090244500000000, 0.0011627400000000, -0.0018623000000000 ] - [ 0.0000736600000000, -0.0008094700000000, 0.0000762000000000 ] - [ 0.0027720500000000, 0.0003874600000000, 0.0007645200000000 ] - [ 0.0007752300000000, -0.0001224200000000, 0.0001940300000000 ] - [ 0.0007643400000000, -0.0002998400000000, 0.0006402200000000 ] - [ 0.0023986800000000, 0.0001121800000000, 0.0022003600000000 ] - [ -0.0003509400000000, -0.0000163000000000, -0.0001340100000000 ] - [ 0.0000110700000000, -0.0007091000000000, 0.0011510600000000 ] - [ 0.0035406500000000, 0.0023364300000000, 0.0052841300000000 ] - [ 0.0001810700000000, -0.0007681500000000, 0.0002237800000000 ] - [ 0.0014219100000000, 0.0002105700000000, 0.0009521600000000 ] - [ 0.0004963200000000, -0.0003382500000000, 0.0006189800000000 ] - [ 0.0006719800000000, 0.0006819000000000, 0.0012575400000000 ] - [ 0.0016224000000000, -0.0005316100000000, 0.0021484900000000 ] - [ 0.0006909000000000, 0.0003269500000000, -0.0005821700000000 ] - [ 0.0017778100000000, -0.0003670500000000, -0.0007149400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002848200000000, 0.0053365000000000, -0.0001854500000000 ] - [ 0.0089944200000000, 0.0126865200000000, 0.0003342900000000 ] - [ -0.0026575500000000, 0.0022753700000000, 0.0011215300000000 ] - [ 0.0023446700000000, 0.0005701500000000, -0.0012525000000000 ] - [ 0.0026211000000000, 0.0037253100000000, -0.0055777100000000 ] - [ -0.0006272300000000, 0.0066147200000000, 0.0023868700000000 ] - [ -0.0002825700000000, 0.0002743300000000, -0.0001851000000000 ] - [ 0.0001582300000000, 0.0003292700000000, 0.0003872700000000 ] - [ -0.0004173700000000, -0.0034238600000000, -0.0002250000000000 ] - [ -0.0006803900000000, 0.0018223700000000, 0.0004927200000000 ] - [ 0.0004250900000000, -0.0020494200000000, 0.0005479000000000 ] - [ 0.0005283600000000, 0.0013898000000000, -0.0002649300000000 ] - [ 0.0001610300000000, 0.0018003500000000, -0.0002090000000000 ] - [ 0.0010673500000000, -0.0025440400000000, -0.0004474700000000 ] - [ 0.0000567200000000, 0.0030540200000000, 0.0004731500000000 ] - [ -0.0011716500000000, -0.0081317300000000, -0.0138366100000000 ] - [ -0.0041069500000000, 0.0006467600000000, -0.0063661200000000 ] - [ 0.0014910200000000, 0.0006962300000000, 0.0012223500000000 ] - [ -0.0003044500000000, 0.0008080400000000, -0.0004109900000000 ] - [ 0.0001257200000000, -0.0007167100000000, -0.0003323000000000 ] - [ 0.0011327600000000, 0.0014958100000000, -0.0008363200000000 ] - [ -0.0151019200000000, 0.0147587700000000, -0.0041998400000000 ] - [ 0.0092035500000000, -0.0035156100000000, 0.0081837100000000 ] - [ 0.0003866300000000, 0.0012841900000000, 0.0001456800000000 ] - [ 0.0053978100000000, -0.1419628600000000, -0.0996892800000000 ] - [ -0.0008978300000000, 0.0029436900000000, 0.0006537300000000 ] - [ 0.0012668500000000, 0.0004856200000000, -0.0004350400000000 ] - [ -0.0017419500000000, 0.0004958100000000, -0.0024513300000000 ] - [ 0.0003525200000000, 0.0027765500000000, -0.0000501900000000 ] - [ 0.0033595900000000, -0.0085075600000000, 0.0020230100000000 ] - [ -0.0011831700000000, 0.0009626800000000, 0.0000546100000000 ] - [ -0.0003214600000000, 0.0001022000000000, 0.0005637100000000 ] - [ -0.0108553100000000, 0.0242797200000000, 0.0307080700000000 ] - [ -0.0002927100000000, 0.0036581800000000, -0.0008755300000000 ] - [ -0.0043261500000000, -0.0009044200000000, 0.0016300100000000 ] - [ 0.0016688200000000, 0.0023095700000000, -0.0002286200000000 ] - [ -0.0004353300000000, 0.0012518300000000, -0.0001248700000000 ] - [ 0.0014295500000000, -0.0014189300000000, 0.0027334800000000 ] - [ 0.0007585800000000, 0.0011059400000000, -0.0005296500000000 ] - [ -0.0036604700000000, -0.0016166100000000, 0.0022391300000000 ] - [ 0.0004968900000000, -0.0007933300000000, -0.0004592900000000 ] - [ -0.0000266600000000, 0.0010370300000000, -0.0002624000000000 ] - [ 0.0008998800000000, -0.0010062400000000, 0.0003183600000000 ] - [ -0.0004585000000000, 0.0012076900000000, 0.0001355900000000 ] - [ -0.0001908900000000, 0.0005728500000000, 0.0004679300000000 ] - [ -0.0006532900000000, -0.0012677300000000, -0.0001180200000000 ] - [ 0.0001997900000000, 0.0008420800000000, -0.0004086800000000 ] - [ -0.0000419700000000, -0.0017241000000000, 0.0000084900000000 ] - [ -0.0013835600000000, 0.0008556100000000, -0.0000253200000000 ] - [ 0.0003924400000000, -0.0002900200000000, 0.0009870100000000 ] - [ 0.0015325900000000, 0.0014064500000000, 0.0019628300000000 ] - [ -0.0004195800000000, 0.0003009600000000, -0.0024873900000000 ] - [ 0.0013765000000000, -0.0000489100000000, -0.0001489100000000 ] - [ -0.0022851600000000, 0.0020345400000000, 0.0004712700000000 ] - [ -0.0007297500000000, -0.0000867600000000, -0.0005317600000000 ] - [ 0.0000143700000000, 0.0003849300000000, 0.0009467800000000 ] - [ 0.0003248000000000, 0.0007272400000000, 0.0005909600000000 ] - [ 0.0000335100000000, -0.0009228800000000, 0.0001789900000000 ] - [ -0.0002575800000000, -0.0003941000000000, 0.0011344600000000 ] - [ -0.0008695200000000, 0.0006790300000000, -0.0003032500000000 ] - [ -0.0010435500000000, -0.0008883900000000, -0.0004816800000000 ] - [ -0.0003209600000000, 0.0006201700000000, -0.0004307000000000 ] - [ -0.0004329300000000, 0.0004975300000000, 0.0006093800000000 ] - [ 0.0014383600000000, -0.0004026300000000, 0.0001894200000000 ] - [ -0.0006924900000000, -0.0000287900000000, 0.0004684400000000 ] - [ -0.0004444100000000, -0.0000273800000000, 0.0007005000000000 ] - [ -0.0000045400000000, -0.0030081700000000, -0.0002382900000000 ] - [ 0.0006568900000000, 0.0016905400000000, -0.0008562300000000 ] - [ 0.0008204200000000, 0.0001712200000000, 0.0000840600000000 ] - [ 0.0001185300000000, 0.0003241500000000, -0.0010125400000000 ] - [ -0.0003196500000000, 0.0017519500000000, 0.0005034600000000 ] - [ -0.0005829200000000, -0.0025777400000000, 0.0014796200000000 ] - [ -0.0003152200000000, 0.0011665000000000, -0.0002886200000000 ] - [ -0.0000308800000000, -0.0005145200000000, -0.0002057300000000 ] - [ 0.0007321600000000, 0.0017484100000000, 0.0001469900000000 ] - [ -0.0020559500000000, -0.0018119300000000, 0.0000523100000000 ] - [ 0.0001428900000000, -0.0020453800000000, 0.0007840100000000 ] - [ -0.0001123300000000, 0.0009695000000000, 0.0000705700000000 ] - [ -0.0010580300000000, -0.0016208200000000, 0.0000048500000000 ] - [ 0.0002251100000000, 0.0006291100000000, -0.0002688700000000 ] - [ 0.0039695500000000, -0.0006916500000000, 0.0003761500000000 ] - [ -0.0014146500000000, -0.0009088800000000, -0.0001243600000000 ] - [ 0.0001939900000000, -0.0025878000000000, -0.0004203600000000 ] - [ -0.0015672000000000, 0.0022920800000000, -0.0014184100000000 ] - [ -0.0022520100000000, -0.0010355400000000, -0.0003871100000000 ] - [ 0.0103910100000000, 0.0002158700000000, 0.0010435900000000 ] - [ 0.0172146700000000, 0.0697291500000000, 0.0658393100000000 ] - [ 0.0002783300000000, -0.0034990800000000, 0.0008949400000000 ] - [ -0.0002279100000000, -0.0026577000000000, -0.0001034600000000 ] - [ 0.0013536200000000, 0.0038224900000000, -0.0000109000000000 ] - [ -0.0012747800000000, 0.0003649900000000, -0.0028327200000000 ] - [ 0.0006246700000000, -0.0017043200000000, 0.0007343800000000 ] - [ 0.0018212100000000, 0.0048704400000000, 0.0000633400000000 ] - [ -0.0005022100000000, -0.0021538900000000, -0.0004350200000000 ] - [ 0.0006973200000000, -0.0002376000000000, 0.0006210000000000 ] - [ -0.0008074600000000, 0.0005770200000000, -0.0001397000000000 ] - [ 0.0029009600000000, -0.0028371800000000, 0.0001595000000000 ] - [ -0.0066638400000000, 0.0010875500000000, 0.0008462000000000 ] - [ -0.0016773800000000, -0.0102239800000000, -0.0018709400000000 ] - [ -0.0027872300000000, -0.0120562500000000, 0.0140295200000000 ] - [ -0.0029861500000000, 0.0011636100000000, 0.0009577300000000 ] - [ 0.0024845300000000, -0.0024500700000000, -0.0016315900000000 ] - [ 0.0002128600000000, 0.0016067100000000, 0.0035152700000000 ] - [ -0.0014719600000000, -0.0018821300000000, -0.0024026500000000 ] - [ 0.0007407600000000, -0.0025845100000000, -0.0008984800000000 ] - [ -0.0001984000000000, 0.0022063400000000, -0.0014208300000000 ] - [ -0.0009073400000000, -0.0053674800000000, 0.0015176200000000 ] - [ -0.0000611300000000, 0.0146763300000000, 0.0035097600000000 ] - [ 0.0060872600000000, 0.0039644900000000, -0.0041183900000000 ] - [ -0.0005786200000000, -0.0025286300000000, 0.0009850200000000 ] - [ -0.0105364200000000, 0.0298064500000000, 0.0005320400000000 ] - [ -0.0007944100000000, -0.0062631800000000, -0.0009029600000000 ] - [ -0.0029828800000000, 0.0032860500000000, 0.0017455000000000 ] - [ 0.0006351700000000, -0.0027795500000000, 0.0004310700000000 ] - [ 0.0001017900000000, 0.0013454000000000, -0.0000282500000000 ] - [ 0.0001100300000000, -0.0013174200000000, -0.0001145500000000 ] - [ 0.0004853200000000, -0.0017772500000000, 0.0001208400000000 ] - [ -0.0002458100000000, 0.0019818700000000, -0.0002784500000000 ] - [ -0.0005765400000000, -0.0021178100000000, -0.0005889900000000 ] - [ 0.0018954500000000, 0.0023662100000000, 0.0019530700000000 ] - [ -0.0014020400000000, 0.0003989000000000, -0.0024107100000000 ] - [ 0.0002928300000000, -0.0019427100000000, 0.0002472800000000 ] - [ 0.0002456700000000, 0.0010095000000000, 0.0002618000000000 ] - [ 0.0000554400000000, -0.0012240000000000, 0.0005368900000000 ] - [ -0.0003709900000000, -0.0015720600000000, 0.0006745700000000 ] - [ 0.0003177100000000, 0.0020943600000000, 0.0010779400000000 ] - [ -0.0000616500000000, -0.0010858000000000, -0.0006073600000000 ] - [ 0.0009830000000000, 0.0013143900000000, -0.0004841100000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006727900000000, -0.0049183100000000, -0.0004398200000000 ] - [ -0.0087202300000000, -0.0124246900000000, -0.0009779500000000 ] - [ 0.0022734100000000, -0.0018650100000000, -0.0004946700000000 ] - [ -0.0027332100000000, -0.0001427900000000, 0.0018853600000000 ] - [ -0.0029883100000000, -0.0041199500000000, 0.0061852400000000 ] - [ 0.0002335700000000, -0.0070743000000000, -0.0017573700000000 ] - [ 0.0006929500000000, -0.0006942000000000, -0.0004452100000000 ] - [ 0.0002328800000000, -0.0007431100000000, -0.0010226600000000 ] - [ -0.0003726700000000, 0.0033618100000000, 0.0007994400000000 ] - [ -0.0000870100000000, -0.0019028500000000, 0.0000634000000000 ] - [ 0.0003406500000000, 0.0019719100000000, -0.0011100800000000 ] - [ 0.0002431900000000, -0.0014715100000000, -0.0002926500000000 ] - [ 0.0006119100000000, -0.0017350800000000, -0.0003535100000000 ] - [ -0.0002945900000000, 0.0026259700000000, -0.0001137200000000 ] - [ -0.0008298100000000, -0.0029864300000000, 0.0000865000000000 ] - [ 0.0003558300000000, 0.0083078600000000, 0.0141617600000000 ] - [ 0.0048977900000000, -0.0006258200000000, 0.0071528100000000 ] - [ -0.0006629300000000, -0.0006910200000000, -0.0003576600000000 ] - [ -0.0005421100000000, -0.0008079000000000, -0.0004544800000000 ] - [ -0.0009710000000000, 0.0007267500000000, -0.0005284300000000 ] - [ -0.0019673200000000, -0.0015051100000000, -0.0000236800000000 ] - [ 0.0144904500000000, -0.0149888800000000, 0.0033979400000000 ] - [ -0.0084630100000000, 0.0033994900000000, -0.0073879700000000 ] - [ 0.0004528900000000, -0.0012878000000000, 0.0007223600000000 ] - [ -0.0057225500000000, 0.1420290400000000, 0.1011312400000000 ] - [ -0.0000784500000000, -0.0031561600000000, 0.0005212700000000 ] - [ -0.0002956100000000, -0.0007161700000000, -0.0007336400000000 ] - [ 0.0027359900000000, -0.0007063600000000, 0.0012948600000000 ] - [ 0.0006209100000000, -0.0025756900000000, -0.0011299400000000 ] - [ -0.0023703600000000, 0.0087565800000000, -0.0031383400000000 ] - [ 0.0001964700000000, -0.0007553100000000, 0.0011094800000000 ] - [ -0.0006601900000000, 0.0001187700000000, 0.0005981900000000 ] - [ 0.0104225600000000, -0.0233640100000000, -0.0307099300000000 ] - [ 0.0000419000000000, -0.0029768800000000, 0.0004099300000000 ] - [ 0.0045722800000000, 0.0015822900000000, -0.0011419100000000 ] - [ -0.0014179800000000, -0.0016207100000000, 0.0006985700000000 ] - [ 0.0006922000000000, -0.0019386300000000, 0.0005933100000000 ] - [ -0.0011894700000000, 0.0007356200000000, -0.0023047000000000 ] - [ -0.0010091400000000, -0.0018021400000000, 0.0000639700000000 ] - [ 0.0034487600000000, 0.0009454800000000, -0.0027246700000000 ] - [ -0.0001065400000000, 0.0012117100000000, -0.0001800600000000 ] - [ 0.0004169700000000, -0.0006216300000000, -0.0003634400000000 ] - [ -0.0013063700000000, 0.0014424900000000, 0.0003205600000000 ] - [ 0.0000684200000000, -0.0007868600000000, 0.0004883300000000 ] - [ -0.0002011900000000, -0.0009892200000000, 0.0001615800000000 ] - [ 0.0002464500000000, 0.0008429300000000, 0.0007338100000000 ] - [ 0.0001861300000000, -0.0012627700000000, -0.0002282200000000 ] - [ 0.0004075900000000, 0.0012926900000000, -0.0006454500000000 ] - [ 0.0006060400000000, -0.0009236200000000, 0.0005837300000000 ] - [ -0.0011730900000000, 0.0002258600000000, -0.0004339900000000 ] - [ -0.0007594300000000, -0.0014782200000000, -0.0025137200000000 ] - [ 0.0012018500000000, -0.0003425700000000, 0.0019367800000000 ] - [ -0.0005985200000000, 0.0001174900000000, -0.0004071000000000 ] - [ 0.0030795200000000, -0.0019800000000000, -0.0010381400000000 ] - [ -0.0000506800000000, 0.0001619200000000, 0.0010808600000000 ] - [ -0.0007919100000000, -0.0003166100000000, -0.0003927000000000 ] - [ 0.0005176100000000, -0.0007284900000000, 0.0002702200000000 ] - [ 0.0008181500000000, 0.0009400000000000, 0.0006762200000000 ] - [ -0.0005701200000000, 0.0003961000000000, -0.0019949000000000 ] - [ 0.0000385300000000, -0.0006754900000000, -0.0005614500000000 ] - [ 0.0002049800000000, 0.0008813900000000, -0.0003873400000000 ] - [ -0.0005255500000000, -0.0006234600000000, -0.0004322500000000 ] - [ 0.0012679500000000, -0.0005044700000000, 0.0002534200000000 ] - [ -0.0006015800000000, 0.0003979300000000, 0.0006784800000000 ] - [ -0.0002874300000000, -0.0001834100000000, 0.0007030700000000 ] - [ -0.0005415400000000, -0.0001823500000000, 0.0004645400000000 ] - [ 0.0009931900000000, 0.0028054200000000, -0.0009360600000000 ] - [ 0.0003188000000000, -0.0019070300000000, -0.0003082200000000 ] - [ 0.0001561000000000, 0.0000260800000000, -0.0012622500000000 ] - [ 0.0008575400000000, -0.0001032300000000, -0.0001561200000000 ] - [ -0.0006566000000000, -0.0015470400000000, 0.0006753400000000 ] - [ -0.0003741200000000, 0.0028000900000000, -0.0002994200000000 ] - [ 0.0000595800000000, -0.0004789200000000, -0.0001803600000000 ] - [ -0.0002329800000000, 0.0012127500000000, -0.0002639200000000 ] - [ -0.0004762300000000, -0.0010641500000000, 0.0003212500000000 ] - [ 0.0023219300000000, 0.0025223700000000, 0.0004172400000000 ] - [ 0.0001017400000000, 0.0013433200000000, -0.0003305900000000 ] - [ 0.0003713500000000, -0.0016670800000000, 0.0003924300000000 ] - [ 0.0007949300000000, 0.0009251800000000, -0.0004751700000000 ] - [ -0.0004828400000000, -0.0013276600000000, -0.0001977400000000 ] - [ -0.0040532000000000, 0.0000757200000000, 0.0002184600000000 ] - [ 0.0013054200000000, 0.0002915400000000, 0.0007155300000000 ] - [ -0.0000671000000000, 0.0019747300000000, -0.0001599700000000 ] - [ 0.0017075700000000, -0.0029284500000000, 0.0008274500000000 ] - [ 0.0023678100000000, 0.0016714800000000, -0.0002111100000000 ] - [ -0.0103126800000000, 0.0003676200000000, -0.0016383500000000 ] - [ -0.0169287200000000, -0.0694249500000000, -0.0639580300000000 ] - [ -0.0004052300000000, 0.0041205400000000, -0.0003185400000000 ] - [ 0.0001027100000000, 0.0020469500000000, 0.0006907000000000 ] - [ -0.0014989600000000, -0.0044767200000000, 0.0005891700000000 ] - [ 0.0013826400000000, -0.0009597600000000, 0.0022436000000000 ] - [ -0.0005115200000000, 0.0010770500000000, -0.0013161900000000 ] - [ -0.0017016500000000, -0.0042424200000000, -0.0006517200000000 ] - [ 0.0006293100000000, 0.0027726400000000, -0.0001516500000000 ] - [ -0.0008158400000000, 0.0008551800000000, -0.0000301900000000 ] - [ 0.0006933100000000, 0.0000318500000000, 0.0007345600000000 ] - [ -0.0031883500000000, 0.0027461600000000, -0.0000947400000000 ] - [ 0.0063948700000000, -0.0012068800000000, -0.0007900400000000 ] - [ 0.0019658500000000, 0.0101407900000000, 0.0017981100000000 ] - [ 0.0030927500000000, 0.0119247300000000, -0.0142178000000000 ] - [ 0.0032641000000000, -0.0010489100000000, -0.0010355100000000 ] - [ -0.0022023900000000, 0.0025462400000000, 0.0015737000000000 ] - [ -0.0005220000000000, -0.0015123100000000, -0.0034300100000000 ] - [ 0.0011796100000000, 0.0019786100000000, 0.0024875100000000 ] - [ -0.0005843200000000, 0.0023423000000000, -0.0000721200000000 ] - [ 0.0003414000000000, -0.0024716300000000, 0.0004589300000000 ] - [ 0.0007408000000000, 0.0051148800000000, -0.0005493500000000 ] - [ -0.0000032600000000, -0.0158722700000000, -0.0035064200000000 ] - [ -0.0062588800000000, -0.0036809500000000, 0.0051052600000000 ] - [ 0.0004138100000000, 0.0027743300000000, -0.0000093900000000 ] - [ 0.0096784500000000, -0.0284007500000000, -0.0022105100000000 ] - [ 0.0009467600000000, 0.0065366400000000, -0.0000758600000000 ] - [ 0.0027522900000000, -0.0033709300000000, -0.0017051600000000 ] - [ -0.0009389700000000, 0.0026960500000000, -0.0003615400000000 ] - [ 0.0002080500000000, -0.0014224500000000, -0.0000296300000000 ] - [ 0.0001870500000000, 0.0012289900000000, 0.0000525100000000 ] - [ -0.0001874500000000, 0.0018565000000000, -0.0001864300000000 ] - [ 0.0005587200000000, -0.0019008400000000, 0.0002126800000000 ] - [ 0.0002816700000000, 0.0022094900000000, 0.0006512000000000 ] - [ -0.0021591500000000, -0.0022950200000000, -0.0018165500000000 ] - [ 0.0016063900000000, -0.0006124400000000, 0.0014730700000000 ] - [ -0.0001347800000000, 0.0016889000000000, -0.0012341200000000 ] - [ -0.0004068500000000, -0.0012444400000000, 0.0007295500000000 ] - [ -0.0002139200000000, 0.0009744600000000, 0.0004430700000000 ] - [ 0.0002101700000000, 0.0018244100000000, 0.0003072600000000 ] - [ -0.0004716000000000, -0.0018681400000000, -0.0000968800000000 ] - [ 0.0002272500000000, 0.0013361600000000, -0.0003660700000000 ] - [ -0.0008240900000000, -0.0010808700000000, -0.0004902900000000 ]- atom: 25 displacement: [ -0.0053469176449015, 0.0000000000000000, 0.0084504716849795 ] forces: - [ -0.0001545000000000, -0.0001713100000000, -0.0029890800000000 ] - [ 0.0027172500000000, -0.0002859100000000, -0.0058522300000000 ] - [ -0.0022985700000000, 0.0017311500000000, 0.0005469200000000 ] - [ -0.0017968600000000, -0.0008534000000000, 0.0005259900000000 ] - [ 0.0003488300000000, -0.0041541600000000, 0.0021733400000000 ] - [ -0.0004200900000000, 0.0062408700000000, 0.0011369000000000 ] - [ -0.0015558900000000, 0.0001778500000000, 0.0015365900000000 ] - [ -0.0005871700000000, 0.0000469300000000, 0.0007601600000000 ] - [ -0.0072439800000000, -0.0014192800000000, 0.0042918400000000 ] - [ -0.0008038000000000, 0.0005470900000000, 0.0002328700000000 ] - [ 0.0004216100000000, -0.0008562400000000, 0.0024783900000000 ] - [ 0.0005466000000000, 0.0003309900000000, 0.0000263600000000 ] - [ 0.0003777700000000, 0.0003210700000000, -0.0003965500000000 ] - [ 0.0001581700000000, -0.0003906400000000, -0.0012195000000000 ] - [ 0.0000722700000000, 0.0014582300000000, 0.0006328000000000 ] - [ 0.0077149900000000, -0.0062271700000000, 0.0311274700000000 ] - [ 0.0013433600000000, -0.0007411500000000, 0.0007879500000000 ] - [ 0.0011749900000000, 0.0001580600000000, 0.0003253500000000 ] - [ -0.0000250300000000, 0.0000958900000000, -0.0003599400000000 ] - [ 0.0023118200000000, 0.0007950200000000, 0.0009106500000000 ] - [ 0.0004078900000000, 0.0002778800000000, -0.0016321000000000 ] - [ -0.0011849800000000, 0.0042436400000000, -0.0062879300000000 ] - [ 0.0053075500000000, -0.0002132100000000, -0.0051356000000000 ] - [ 0.0008009800000000, 0.0002671100000000, 0.0000972700000000 ] - [ -0.0203800000000000, -0.0888265600000000, -0.2241008900000000 ] - [ -0.0004852200000000, 0.0001679400000000, -0.0002932700000000 ] - [ 0.0009759300000000, 0.0002764900000000, -0.0008457700000000 ] - [ 0.0001559400000000, 0.0001828100000000, -0.0013682200000000 ] - [ 0.0007759400000000, 0.0006270000000000, -0.0006264500000000 ] - [ 0.0108566700000000, 0.0007621600000000, 0.0151490800000000 ] - [ 0.0000142800000000, 0.0001801700000000, 0.0007654700000000 ] - [ -0.0000596100000000, 0.0002137800000000, 0.0005742300000000 ] - [ -0.0026277700000000, 0.0300982800000000, 0.0163277100000000 ] - [ -0.0002136800000000, -0.0006899500000000, -0.0008320400000000 ] - [ -0.0004804400000000, 0.0010445300000000, -0.0014727200000000 ] - [ 0.0003887900000000, 0.0003382700000000, -0.0001033100000000 ] - [ -0.0000691800000000, -0.0007769700000000, 0.0006786400000000 ] - [ 0.0000008500000000, 0.0008598200000000, 0.0031084200000000 ] - [ -0.0004442800000000, -0.0008874800000000, -0.0000059900000000 ] - [ -0.0029071900000000, 0.0001557500000000, 0.0020314900000000 ] - [ -0.0002594800000000, 0.0001468700000000, 0.0000462300000000 ] - [ 0.0000877500000000, 0.0003518000000000, -0.0001380400000000 ] - [ 0.0005579400000000, -0.0000316700000000, -0.0001276000000000 ] - [ -0.0000695700000000, 0.0003559300000000, 0.0002012000000000 ] - [ -0.0000318200000000, -0.0000923400000000, 0.0005482900000000 ] - [ 0.0005956500000000, -0.0000960700000000, 0.0022524500000000 ] - [ 0.0005814500000000, -0.0000321400000000, -0.0003513600000000 ] - [ 0.0023745200000000, -0.0003963000000000, -0.0003787300000000 ] - [ -0.0001813000000000, -0.0000925800000000, -0.0000915000000000 ] - [ -0.0001065400000000, -0.0002469200000000, 0.0000962000000000 ] - [ 0.0010121400000000, 0.0012446900000000, 0.0011371400000000 ] - [ 0.0006530300000000, -0.0024245000000000, 0.0008503100000000 ] - [ 0.0001527100000000, -0.0008268800000000, -0.0010210500000000 ] - [ -0.0002112100000000, 0.0004704400000000, -0.0004718200000000 ] - [ -0.0002800000000000, -0.0003058100000000, 0.0008854600000000 ] - [ -0.0001797700000000, 0.0001854600000000, 0.0009679600000000 ] - [ -0.0000231200000000, 0.0001989700000000, 0.0006950500000000 ] - [ -0.0022696100000000, 0.0004391200000000, 0.0022320400000000 ] - [ -0.0018385800000000, 0.0002178300000000, 0.0018455300000000 ] - [ -0.0014810700000000, -0.0001131300000000, 0.0002038300000000 ] - [ -0.0009748900000000, 0.0000059100000000, -0.0002913100000000 ] - [ -0.0004752200000000, 0.0000824800000000, -0.0003316200000000 ] - [ -0.0000077600000000, 0.0000528700000000, 0.0005713500000000 ] - [ 0.0000940000000000, -0.0001649500000000, 0.0007646700000000 ] - [ -0.0005534600000000, -0.0000300400000000, 0.0009022500000000 ] - [ -0.0005072300000000, -0.0000988900000000, 0.0009279100000000 ] - [ -0.0012109300000000, -0.0006570700000000, -0.0003347000000000 ] - [ 0.0003146500000000, 0.0002120700000000, -0.0005976300000000 ] - [ 0.0004367900000000, 0.0004933100000000, 0.0003137000000000 ] - [ 0.0002927200000000, -0.0000580200000000, 0.0000519300000000 ] - [ -0.0007081800000000, 0.0002636500000000, 0.0009456800000000 ] - [ -0.0018544100000000, -0.0006963200000000, 0.0035268100000000 ] - [ -0.0001328200000000, 0.0004466000000000, -0.0000772400000000 ] - [ -0.0001047700000000, 0.0003468300000000, 0.0000937300000000 ] - [ 0.0002255800000000, 0.0004653300000000, 0.0000646700000000 ] - [ -0.0007002400000000, 0.0003411100000000, -0.0001476300000000 ] - [ 0.0010005000000000, 0.0007003500000000, 0.0015690700000000 ] - [ 0.0002985000000000, -0.0005743300000000, 0.0005209200000000 ] - [ 0.0005452400000000, -0.0002483800000000, -0.0002053600000000 ] - [ 0.0001652500000000, -0.0001797000000000, -0.0002603600000000 ] - [ -0.0015844400000000, -0.0000700900000000, 0.0003234800000000 ] - [ -0.0009141600000000, -0.0003771000000000, 0.0003862200000000 ] - [ -0.0003723100000000, -0.0004771700000000, -0.0004605700000000 ] - [ -0.0017307700000000, -0.0018466400000000, -0.0056379000000000 ] - [ -0.0007397500000000, 0.0005509800000000, 0.0006881000000000 ] - [ 0.0023815200000000, -0.0004298300000000, 0.0005460200000000 ] - [ 0.0110421500000000, 0.0477598200000000, 0.1482206700000000 ] - [ -0.0007110600000000, -0.0001920600000000, 0.0014109400000000 ] - [ 0.0006122800000000, -0.0005334000000000, -0.0001731900000000 ] - [ 0.0037511500000000, -0.0016904700000000, -0.0046451800000000 ] - [ 0.0004273800000000, -0.0012157800000000, -0.0026466600000000 ] - [ 0.0010554600000000, 0.0008081000000000, -0.0015862300000000 ] - [ 0.0016301100000000, 0.0004083300000000, 0.0006220600000000 ] - [ 0.0001103900000000, 0.0000126700000000, -0.0002177800000000 ] - [ 0.0002943800000000, 0.0004603500000000, -0.0001681200000000 ] - [ 0.0001139700000000, 0.0003392200000000, -0.0004343500000000 ] - [ 0.0004536300000000, -0.0008542500000000, 0.0010528700000000 ] - [ 0.0000422300000000, 0.0011453400000000, 0.0010533800000000 ] - [ -0.0008116300000000, -0.0074813900000000, 0.0006680800000000 ] - [ -0.0002362200000000, 0.0136400000000000, 0.0027311500000000 ] - [ 0.0027257200000000, 0.0031602500000000, -0.0030296000000000 ] - [ 0.0025290900000000, -0.0015490400000000, -0.0008503400000000 ] - [ 0.0000677300000000, 0.0019360900000000, -0.0022553800000000 ] - [ -0.0010150300000000, -0.0015000600000000, -0.0016604400000000 ] - [ 0.0011583200000000, -0.0006175000000000, -0.0014793600000000 ] - [ 0.0023542500000000, 0.0006149600000000, -0.0033914300000000 ] - [ -0.0002543400000000, 0.0007139100000000, 0.0019089900000000 ] - [ -0.0039321800000000, 0.0006491800000000, 0.0165451000000000 ] - [ 0.0076051100000000, -0.0008754100000000, -0.0043898100000000 ] - [ 0.0007332700000000, 0.0002169400000000, -0.0000825700000000 ] - [ -0.0056588200000000, 0.0038467600000000, 0.0135605300000000 ] - [ -0.0014085300000000, -0.0009246800000000, 0.0012064900000000 ] - [ 0.0020562200000000, 0.0011675000000000, 0.0037483100000000 ] - [ 0.0000723600000000, -0.0006305700000000, 0.0003707400000000 ] - [ -0.0000902700000000, 0.0001756300000000, -0.0012163300000000 ] - [ 0.0000140000000000, -0.0003610800000000, -0.0004216300000000 ] - [ -0.0002119400000000, -0.0001205800000000, 0.0000052900000000 ] - [ -0.0018658200000000, 0.0003318300000000, 0.0003975800000000 ] - [ -0.0005480300000000, -0.0007644700000000, -0.0006503500000000 ] - [ -0.0040766900000000, 0.0006944700000000, -0.0075384300000000 ] - [ -0.0021431700000000, -0.0006361400000000, -0.0009371600000000 ] - [ -0.0005655800000000, -0.0003268600000000, -0.0001693400000000 ] - [ -0.0000241900000000, -0.0002793300000000, -0.0004457700000000 ] - [ -0.0002219900000000, -0.0001432300000000, 0.0001175500000000 ] - [ -0.0005131600000000, -0.0001024200000000, 0.0004341100000000 ] - [ -0.0013651400000000, 0.0004980000000000, 0.0006404900000000 ] - [ 0.0002601700000000, -0.0001670300000000, -0.0008843100000000 ] - [ 0.0011437200000000, 0.0002753500000000, -0.0013586100000000 ]- atom: 25 displacement: [ 0.0053469176449015, 0.0000000000000000, -0.0084504716849795 ] forces: - [ 0.0005434000000000, 0.0005527100000000, 0.0023476900000000 ] - [ -0.0023316800000000, 0.0007138300000000, 0.0052381400000000 ] - [ 0.0019140600000000, -0.0013208100000000, 0.0000693100000000 ] - [ 0.0014019800000000, 0.0012647400000000, 0.0000929000000000 ] - [ -0.0007749200000000, 0.0037488900000000, -0.0015211200000000 ] - [ 0.0000226900000000, -0.0067177600000000, -0.0005137500000000 ] - [ 0.0019556700000000, -0.0005931000000000, -0.0021613200000000 ] - [ 0.0009767600000000, -0.0004651100000000, -0.0013912000000000 ] - [ 0.0065540800000000, 0.0013945200000000, -0.0037675700000000 ] - [ 0.0000370800000000, -0.0006229900000000, 0.0003345200000000 ] - [ 0.0003456600000000, 0.0007941100000000, -0.0030546800000000 ] - [ 0.0002240500000000, -0.0004066000000000, -0.0005922800000000 ] - [ 0.0003966900000000, -0.0002669700000000, -0.0001758600000000 ] - [ 0.0006171800000000, 0.0004686700000000, 0.0006461700000000 ] - [ -0.0008462600000000, -0.0013971800000000, -0.0000629800000000 ] - [ -0.0083443300000000, 0.0062091200000000, -0.0300722800000000 ] - [ -0.0004468100000000, 0.0007350800000000, 0.0001315100000000 ] - [ -0.0003065400000000, -0.0001594500000000, 0.0005486200000000 ] - [ -0.0008346200000000, -0.0000983200000000, -0.0005054500000000 ] - [ -0.0031846300000000, -0.0007943900000000, -0.0017822300000000 ] - [ -0.0012791400000000, -0.0002822700000000, 0.0007631500000000 ] - [ 0.0002782500000000, -0.0042102200000000, 0.0054389100000000 ] - [ -0.0045319800000000, 0.0001849300000000, 0.0058881100000000 ] - [ 0.0000706000000000, -0.0002634200000000, 0.0007686500000000 ] - [ 0.0167661900000000, 0.0868360800000000, 0.2207160500000000 ] - [ -0.0004983200000000, -0.0003899100000000, 0.0014457400000000 ] - [ 0.0000033100000000, -0.0005026400000000, -0.0003014300000000 ] - [ 0.0008275200000000, -0.0004065900000000, 0.0002173400000000 ] - [ 0.0002017000000000, -0.0004193300000000, -0.0005298900000000 ] - [ -0.0100285800000000, -0.0005249000000000, -0.0164312000000000 ] - [ -0.0009870100000000, 0.0000333700000000, 0.0003905500000000 ] - [ -0.0009241900000000, 0.0000077700000000, 0.0005728800000000 ] - [ 0.0024041000000000, -0.0290348400000000, -0.0166954600000000 ] - [ -0.0000492300000000, 0.0013794300000000, 0.0003628400000000 ] - [ 0.0007686200000000, -0.0003363500000000, 0.0019276900000000 ] - [ -0.0001096500000000, 0.0003778000000000, 0.0005610800000000 ] - [ 0.0003419400000000, 0.0000662800000000, -0.0002090200000000 ] - [ 0.0002596500000000, -0.0015622800000000, -0.0026575600000000 ] - [ 0.0001688800000000, 0.0001755000000000, -0.0004529200000000 ] - [ 0.0026543800000000, -0.0008617800000000, -0.0025083900000000 ] - [ 0.0006619600000000, 0.0002718800000000, -0.0006781800000000 ] - [ 0.0003025300000000, 0.0000634800000000, -0.0004809800000000 ] - [ -0.0009581800000000, 0.0004689900000000, 0.0007677000000000 ] - [ -0.0003218600000000, 0.0000639000000000, 0.0004186100000000 ] - [ -0.0003576000000000, -0.0003247900000000, 0.0000780800000000 ] - [ -0.0009854400000000, -0.0003201300000000, -0.0016122600000000 ] - [ -0.0001899400000000, -0.0003900000000000, -0.0002814900000000 ] - [ -0.0019782600000000, -0.0000319700000000, -0.0002543000000000 ] - [ -0.0005845500000000, 0.0000288700000000, 0.0006629700000000 ] - [ -0.0006702300000000, 0.0001908600000000, 0.0004733100000000 ] - [ -0.0002413200000000, -0.0013030000000000, -0.0017059600000000 ] - [ 0.0001287400000000, 0.0023586300000000, -0.0014160400000000 ] - [ 0.0006213000000000, 0.0008990600000000, 0.0004523200000000 ] - [ 0.0009833400000000, -0.0004197900000000, -0.0000944600000000 ] - [ -0.0004980400000000, 0.0003717200000000, -0.0003129100000000 ] - [ -0.0005969000000000, -0.0001311900000000, -0.0003955200000000 ] - [ 0.0008821100000000, -0.0002003100000000, 0.0001686600000000 ] - [ 0.0031480500000000, -0.0004383300000000, -0.0013615500000000 ] - [ 0.0009767600000000, -0.0002092800000000, -0.0027177300000000 ] - [ 0.0006137000000000, 0.0001058000000000, -0.0010707700000000 ] - [ 0.0001176300000000, -0.0000042700000000, -0.0005814500000000 ] - [ -0.0003908100000000, -0.0000872900000000, -0.0005339300000000 ] - [ 0.0008712100000000, -0.0000557900000000, 0.0002931600000000 ] - [ 0.0007770100000000, 0.0001628900000000, 0.0001033000000000 ] - [ -0.0004291500000000, -0.0001849200000000, 0.0002561300000000 ] - [ -0.0004817600000000, -0.0001255300000000, 0.0002203800000000 ] - [ 0.0021882300000000, 0.0004569800000000, -0.0008294400000000 ] - [ 0.0006642200000000, -0.0004415300000000, -0.0005486800000000 ] - [ 0.0005440400000000, -0.0002796600000000, -0.0014712600000000 ] - [ 0.0006902800000000, 0.0002771100000000, -0.0011941800000000 ] - [ -0.0002739500000000, -0.0000523400000000, 0.0002123700000000 ] - [ 0.0008768300000000, 0.0009258200000000, -0.0023700900000000 ] - [ -0.0001349400000000, 0.0002535800000000, -0.0003882600000000 ] - [ -0.0001711200000000, 0.0003657100000000, -0.0005576900000000 ] - [ 0.0000435500000000, 0.0002376700000000, 0.0004008300000000 ] - [ 0.0009735400000000, 0.0003681100000000, 0.0006187100000000 ] - [ -0.0007358900000000, -0.0013878600000000, -0.0011057200000000 ] - [ -0.0000199700000000, -0.0001501800000000, -0.0000595600000000 ] - [ -0.0008038600000000, -0.0004501700000000, -0.0002599100000000 ] - [ -0.0004301900000000, -0.0005288700000000, -0.0002048800000000 ] - [ 0.0014420100000000, -0.0005409400000000, 0.0002679100000000 ] - [ 0.0008015900000000, -0.0002341300000000, 0.0002003300000000 ] - [ 0.0004965100000000, -0.0001307900000000, -0.0001246100000000 ] - [ 0.0018510100000000, 0.0012216500000000, 0.0050497900000000 ] - [ 0.0008647400000000, 0.0000721300000000, -0.0012843300000000 ] - [ -0.0022520700000000, 0.0010446700000000, -0.0011347800000000 ] - [ -0.0085918900000000, -0.0448855300000000, -0.1429597800000000 ] - [ 0.0005888400000000, 0.0008124100000000, -0.0008244100000000 ] - [ -0.0007316900000000, -0.0000769100000000, 0.0007588000000000 ] - [ -0.0038837300000000, 0.0010834700000000, 0.0052463000000000 ] - [ -0.0003123700000000, 0.0005979400000000, 0.0020609100000000 ] - [ -0.0009379300000000, -0.0014137000000000, 0.0009944900000000 ] - [ -0.0015199600000000, 0.0001943500000000, -0.0011949600000000 ] - [ 0.0000099100000000, 0.0006081400000000, -0.0003657600000000 ] - [ -0.0004158900000000, 0.0001550700000000, 0.0007526400000000 ] - [ -0.0002283000000000, 0.0002740400000000, 0.0010229300000000 ] - [ -0.0007533500000000, 0.0007694400000000, -0.0009722600000000 ] - [ -0.0003333900000000, -0.0012533200000000, -0.0009706300000000 ] - [ 0.0011055700000000, 0.0074048600000000, -0.0007325100000000 ] - [ 0.0005238700000000, -0.0136880300000000, -0.0027651500000000 ] - [ -0.0024199800000000, -0.0030881500000000, 0.0029555200000000 ] - [ -0.0022458600000000, 0.0016530200000000, 0.0007748100000000 ] - [ -0.0003516000000000, -0.0018467200000000, 0.0023129500000000 ] - [ 0.0007282600000000, 0.0015980800000000, 0.0017445900000000 ] - [ -0.0009991000000000, 0.0003725900000000, 0.0005080300000000 ] - [ -0.0021905600000000, -0.0008715200000000, 0.0024242900000000 ] - [ 0.0001046300000000, -0.0009550100000000, -0.0009425500000000 ] - [ 0.0037416200000000, -0.0015498100000000, -0.0160412400000000 ] - [ -0.0077537600000000, 0.0011130900000000, 0.0053800800000000 ] - [ -0.0008951400000000, 0.0000412200000000, 0.0010689200000000 ] - [ 0.0058776000000000, -0.0036997600000000, -0.0145718600000000 ] - [ 0.0015678000000000, 0.0011915800000000, -0.0021967600000000 ] - [ -0.0023242300000000, -0.0012647900000000, -0.0037236600000000 ] - [ -0.0003677800000000, 0.0005398100000000, -0.0002945600000000 ] - [ 0.0003865900000000, -0.0002619000000000, 0.0011456600000000 ] - [ 0.0002763400000000, 0.0002731400000000, 0.0003524700000000 ] - [ 0.0004955900000000, 0.0002059300000000, -0.0000783100000000 ] - [ 0.0021552200000000, -0.0002501600000000, -0.0004762400000000 ] - [ 0.0002571900000000, 0.0008587500000000, 0.0007175500000000 ] - [ 0.0037523000000000, -0.0006221300000000, 0.0075857600000000 ] - [ 0.0023217800000000, 0.0003973400000000, -0.0000204400000000 ] - [ 0.0007168900000000, 0.0000713100000000, -0.0008176100000000 ] - [ -0.0001482800000000, 0.0000251100000000, 0.0014318700000000 ] - [ 0.0000564200000000, -0.0001028600000000, 0.0008615900000000 ] - [ 0.0003468100000000, 0.0003566800000000, 0.0005426100000000 ] - [ 0.0012033600000000, -0.0002525400000000, 0.0003487100000000 ] - [ -0.0000962700000000, 0.0004169600000000, -0.0000945400000000 ] - [ -0.0009868900000000, -0.0000235900000000, 0.0003628400000000 ]- atom: 33 displacement: [ 0.0099999779436379, 0.0000000000000000, 0.0000210030177685 ] forces: - [ -0.0025009600000000, -0.0037363600000000, 0.0026345700000000 ] - [ -0.0010993000000000, -0.0006419200000000, -0.0005954000000000 ] - [ 0.0044568100000000, -0.0116649900000000, -0.0010325900000000 ] - [ -0.0016235800000000, 0.0006052900000000, 0.0005427300000000 ] - [ -0.0013533800000000, -0.0003099400000000, -0.0012909000000000 ] - [ -0.0003180900000000, -0.0008357800000000, -0.0000613600000000 ] - [ 0.0077910300000000, -0.0065773000000000, -0.0076487500000000 ] - [ 0.0001522400000000, -0.0000309100000000, -0.0006549600000000 ] - [ -0.0006902500000000, 0.0001143400000000, -0.0024728600000000 ] - [ -0.0006037100000000, -0.0003407200000000, -0.0003799800000000 ] - [ 0.0014176200000000, 0.0006909700000000, -0.0002305200000000 ] - [ 0.0007465800000000, -0.0004615900000000, -0.0001520000000000 ] - [ 0.0008834800000000, -0.0011101900000000, 0.0004558500000000 ] - [ 0.0009671400000000, 0.0022179700000000, 0.0017863000000000 ] - [ -0.0004040200000000, 0.0002544900000000, 0.0000973700000000 ] - [ -0.0063243000000000, -0.0065793900000000, 0.0022786100000000 ] - [ 0.0016369400000000, -0.0001536300000000, 0.0012365400000000 ] - [ 0.0005594800000000, -0.0001640500000000, 0.0004655400000000 ] - [ 0.0003678400000000, -0.0000101800000000, 0.0000042800000000 ] - [ 0.0003639600000000, 0.0001527300000000, -0.0000414800000000 ] - [ -0.0003580300000000, 0.0034302300000000, -0.0024663700000000 ] - [ -0.0003342900000000, -0.0010140000000000, -0.0008562400000000 ] - [ 0.0289762300000000, -0.0141246100000000, -0.0001290700000000 ] - [ 0.0003034100000000, -0.0000568400000000, 0.0003592400000000 ] - [ -0.0078584900000000, -0.0106208300000000, -0.0069337900000000 ] - [ -0.0010881500000000, -0.0002782000000000, 0.0000971800000000 ] - [ 0.0022620700000000, 0.0020880800000000, -0.0004351600000000 ] - [ 0.0006632500000000, -0.0007180900000000, -0.0003464000000000 ] - [ 0.0004823400000000, -0.0004553600000000, -0.0008092000000000 ] - [ -0.0000912100000000, 0.0014252200000000, -0.0010688400000000 ] - [ 0.0007519300000000, 0.0010398100000000, 0.0021483900000000 ] - [ -0.0002492500000000, -0.0002456000000000, 0.0010714100000000 ] - [ -0.1626756800000000, 0.1168806000000000, 0.0223742500000000 ] - [ -0.0006028900000000, -0.0002869300000000, -0.0002290800000000 ] - [ 0.0124579200000000, 0.0003321500000000, 0.0075466100000000 ] - [ -0.0002137900000000, -0.0000604200000000, 0.0004687300000000 ] - [ 0.0014771800000000, -0.0012406600000000, -0.0004943600000000 ] - [ 0.0003811700000000, -0.0001356400000000, -0.0001791800000000 ] - [ -0.0007749300000000, -0.0009202300000000, -0.0014183500000000 ] - [ 0.0001256900000000, 0.0002020800000000, -0.0015084100000000 ] - [ 0.0030711400000000, 0.0001456600000000, -0.0006154900000000 ] - [ 0.0005476800000000, 0.0002154700000000, -0.0002559800000000 ] - [ 0.0038849500000000, -0.0001225500000000, 0.0009068000000000 ] - [ 0.0002532000000000, 0.0002558300000000, 0.0003043600000000 ] - [ 0.0002493000000000, -0.0002494400000000, 0.0005992000000000 ] - [ 0.0004756800000000, -0.0002027900000000, 0.0010111900000000 ] - [ 0.0005531600000000, -0.0000146200000000, 0.0001452100000000 ] - [ 0.0012468300000000, -0.0013870500000000, 0.0015116700000000 ] - [ 0.0005569500000000, -0.0004095100000000, 0.0022795000000000 ] - [ -0.0002077000000000, 0.0001052800000000, 0.0007652600000000 ] - [ -0.0007762800000000, 0.0035221400000000, 0.0039108700000000 ] - [ 0.0002584000000000, -0.0010160000000000, 0.0002018700000000 ] - [ 0.0005842600000000, 0.0008834500000000, -0.0026216000000000 ] - [ 0.0004071100000000, -0.0005384300000000, -0.0008637900000000 ] - [ 0.0006989200000000, 0.0003431300000000, 0.0007710700000000 ] - [ -0.0000502700000000, -0.0000679100000000, 0.0003436200000000 ] - [ -0.0002420500000000, 0.0000648600000000, 0.0003267400000000 ] - [ -0.0005034900000000, 0.0001527100000000, 0.0000367400000000 ] - [ -0.0041922500000000, -0.0011575400000000, -0.0047377500000000 ] - [ -0.0010483100000000, -0.0003019400000000, -0.0005768200000000 ] - [ 0.0033277700000000, 0.0005946200000000, 0.0001032600000000 ] - [ 0.0002082000000000, -0.0003219200000000, -0.0001832900000000 ] - [ 0.0023341600000000, -0.0004006500000000, 0.0007423400000000 ] - [ 0.0012104400000000, 0.0006917200000000, 0.0007023200000000 ] - [ 0.0003726400000000, -0.0000041600000000, 0.0011544300000000 ] - [ -0.0000837100000000, -0.0003012700000000, 0.0008228400000000 ] - [ 0.0033009700000000, 0.0043216100000000, 0.0004651800000000 ] - [ 0.0007012800000000, -0.0016501300000000, -0.0001344400000000 ] - [ -0.0001076800000000, 0.0001297900000000, 0.0000785800000000 ] - [ 0.0004920500000000, -0.0001320700000000, -0.0003752900000000 ] - [ -0.0010988200000000, -0.0007728200000000, -0.0001799100000000 ] - [ -0.0011304400000000, 0.0036372500000000, -0.0031050600000000 ] - [ 0.0007849500000000, 0.0000884700000000, -0.0001425900000000 ] - [ 0.0007823700000000, 0.0001987000000000, -0.0001985300000000 ] - [ 0.0010220300000000, 0.0012377900000000, -0.0001847000000000 ] - [ 0.0010256800000000, -0.0010057000000000, -0.0003854300000000 ] - [ -0.0008234900000000, -0.0000751200000000, 0.0028192800000000 ] - [ 0.0001202700000000, -0.0003136500000000, 0.0004344200000000 ] - [ 0.0008223000000000, -0.0000068800000000, 0.0011505500000000 ] - [ 0.0000444300000000, -0.0006046700000000, 0.0000993000000000 ] - [ -0.0017285400000000, -0.0005920800000000, -0.0023308500000000 ] - [ -0.0002452500000000, -0.0001333100000000, -0.0003211200000000 ] - [ -0.0009220100000000, 0.0006732700000000, -0.0003144000000000 ] - [ -0.0007776000000000, -0.0009732700000000, 0.0000031600000000 ] - [ -0.0025025600000000, -0.0018520900000000, 0.0014645700000000 ] - [ -0.0003081100000000, 0.0018900800000000, 0.0001162400000000 ] - [ 0.0971647700000000, -0.0800825500000000, -0.0102351000000000 ] - [ 0.0004492300000000, 0.0003393700000000, 0.0006793500000000 ] - [ 0.0009446800000000, 0.0002807500000000, 0.0014506900000000 ] - [ 0.0010693400000000, -0.0008929600000000, 0.0037837400000000 ] - [ 0.0058214000000000, 0.0001616700000000, -0.0032534900000000 ] - [ 0.0007663200000000, 0.0002888900000000, -0.0007982400000000 ] - [ -0.0052742500000000, -0.0052561100000000, -0.0025528300000000 ] - [ -0.0004688500000000, 0.0013883100000000, -0.0008337300000000 ] - [ -0.0023597600000000, 0.0003695000000000, -0.0002739300000000 ] - [ -0.0012265700000000, 0.0004132300000000, 0.0000541400000000 ] - [ -0.0023804400000000, 0.0046135000000000, -0.0033729500000000 ] - [ 0.0008535100000000, -0.0015440700000000, -0.0005943300000000 ] - [ 0.0139467700000000, 0.0023365700000000, -0.0003944700000000 ] - [ 0.0022856100000000, 0.0028731300000000, -0.0000375300000000 ] - [ 0.0015909200000000, -0.0006981700000000, 0.0057015200000000 ] - [ 0.0004359500000000, 0.0002873400000000, 0.0007845600000000 ] - [ -0.0036517900000000, -0.0007355400000000, 0.0009693300000000 ] - [ -0.0003557600000000, 0.0003170000000000, 0.0003694700000000 ] - [ -0.0016536200000000, 0.0033601400000000, 0.0010857500000000 ] - [ -0.0003681500000000, -0.0029695200000000, 0.0005126800000000 ] - [ 0.0022072300000000, 0.0001767100000000, 0.0020485900000000 ] - [ -0.0000021800000000, 0.0018554700000000, 0.0035573300000000 ] - [ 0.0139338500000000, 0.0045022300000000, 0.0007189900000000 ] - [ 0.0008413100000000, 0.0009918100000000, 0.0006356200000000 ] - [ 0.0112546000000000, -0.0029331600000000, -0.0054167200000000 ] - [ 0.0005836200000000, 0.0009379000000000, -0.0002961200000000 ] - [ -0.0078669700000000, 0.0002626900000000, 0.0062387700000000 ] - [ -0.0003403300000000, -0.0001544200000000, 0.0003948300000000 ] - [ -0.0034940200000000, -0.0007721100000000, -0.0002296300000000 ] - [ -0.0007156500000000, 0.0001851500000000, -0.0002613200000000 ] - [ -0.0007922700000000, 0.0005522000000000, -0.0012399500000000 ] - [ -0.0013122100000000, -0.0000378200000000, -0.0021622200000000 ] - [ -0.0000057700000000, -0.0011467300000000, -0.0007124100000000 ] - [ 0.0001792800000000, 0.0013774900000000, -0.0029974900000000 ] - [ -0.0054536100000000, -0.0028861600000000, -0.0081124000000000 ] - [ -0.0001940800000000, 0.0002370600000000, -0.0008174700000000 ] - [ -0.0018322300000000, -0.0006195200000000, -0.0010246700000000 ] - [ -0.0005393800000000, 0.0001319000000000, 0.0000696100000000 ] - [ -0.0015505300000000, -0.0009147500000000, -0.0003328800000000 ] - [ -0.0017569400000000, 0.0016589400000000, -0.0002744900000000 ] - [ -0.0007019700000000, -0.0000658300000000, -0.0004907500000000 ] - [ -0.0006796500000000, 0.0006066700000000, -0.0002157300000000 ]- atom: 33 displacement: [ -0.0099999779436379, 0.0000000000000000, -0.0000210030177685 ] forces: - [ 0.0029445400000000, 0.0041133900000000, -0.0032335500000000 ] - [ 0.0015013700000000, 0.0010604400000000, -0.0000435300000000 ] - [ -0.0048785700000000, 0.0122288500000000, 0.0016819300000000 ] - [ 0.0012510000000000, -0.0001874000000000, 0.0000803900000000 ] - [ 0.0009503600000000, -0.0001107500000000, 0.0019548500000000 ] - [ -0.0000818300000000, 0.0004199100000000, 0.0007035900000000 ] - [ -0.0074878100000000, 0.0062448500000000, 0.0070938700000000 ] - [ 0.0002363900000000, -0.0003954500000000, 0.0000259100000000 ] - [ -0.0000911000000000, -0.0001738900000000, 0.0030373200000000 ] - [ -0.0001682600000000, 0.0002767900000000, 0.0009521300000000 ] - [ -0.0006534600000000, -0.0007662900000000, -0.0003312800000000 ] - [ 0.0000274000000000, 0.0003963700000000, -0.0004152900000000 ] - [ -0.0001055000000000, 0.0011687300000000, -0.0010356900000000 ] - [ -0.0001940100000000, -0.0021684800000000, -0.0023801700000000 ] - [ -0.0003962900000000, -0.0002559100000000, 0.0004394000000000 ] - [ 0.0054662500000000, 0.0067481400000000, -0.0017441700000000 ] - [ -0.0007531200000000, 0.0001455700000000, -0.0003441400000000 ] - [ 0.0003195200000000, 0.0001649500000000, 0.0004116700000000 ] - [ -0.0012305900000000, 0.0000151700000000, -0.0008683000000000 ] - [ -0.0012268200000000, -0.0001510600000000, -0.0008198100000000 ] - [ -0.0005333200000000, -0.0034085200000000, 0.0015919300000000 ] - [ -0.0005579100000000, 0.0010221100000000, -0.0000170700000000 ] - [ -0.0276306700000000, 0.0138559400000000, 0.0010003300000000 ] - [ 0.0005590000000000, 0.0000572600000000, 0.0005108900000000 ] - [ 0.0067470800000000, 0.0105246700000000, 0.0081928300000000 ] - [ 0.0001002000000000, 0.0000566900000000, 0.0010596100000000 ] - [ -0.0012752000000000, -0.0022898800000000, -0.0007068700000000 ] - [ 0.0003150000000000, 0.0004902000000000, -0.0007967300000000 ] - [ 0.0004966600000000, 0.0006731000000000, -0.0003333000000000 ] - [ 0.0010755400000000, -0.0012033500000000, -0.0000541000000000 ] - [ -0.0017255800000000, -0.0008110700000000, -0.0009970300000000 ] - [ -0.0007353600000000, 0.0004649800000000, 0.0000710700000000 ] - [ 0.1617936600000000, -0.1114186500000000, -0.0232032600000000 ] - [ 0.0003442100000000, 0.0009832500000000, -0.0002366000000000 ] - [ -0.0123775900000000, 0.0003935400000000, -0.0072222800000000 ] - [ 0.0004993100000000, 0.0007777800000000, -0.0000113900000000 ] - [ -0.0012114700000000, 0.0005398400000000, 0.0009704800000000 ] - [ -0.0001172300000000, -0.0005704100000000, 0.0006511400000000 ] - [ 0.0005025300000000, 0.0002167700000000, 0.0009647300000000 ] - [ -0.0004024000000000, -0.0009167400000000, 0.0010538700000000 ] - [ -0.0026593800000000, 0.0002750700000000, -0.0000301900000000 ] - [ -0.0001623500000000, 0.0002115300000000, -0.0003696400000000 ] - [ -0.0042549400000000, 0.0005579800000000, -0.0002565800000000 ] - [ -0.0006458000000000, 0.0001749800000000, 0.0003189500000000 ] - [ -0.0006387200000000, -0.0001727800000000, 0.0000265900000000 ] - [ -0.0008751300000000, -0.0002320700000000, -0.0003867300000000 ] - [ -0.0001739500000000, -0.0004101200000000, -0.0007827300000000 ] - [ -0.0008669200000000, 0.0009306400000000, -0.0021348100000000 ] - [ -0.0013290100000000, 0.0003620400000000, -0.0017082200000000 ] - [ -0.0005687300000000, -0.0001629600000000, -0.0001926400000000 ] - [ 0.0015193400000000, -0.0035706900000000, -0.0045023600000000 ] - [ 0.0005195200000000, 0.0009761800000000, -0.0007914900000000 ] - [ 0.0001929200000000, -0.0008048500000000, 0.0020408800000000 ] - [ 0.0003649900000000, 0.0005837200000000, 0.0002860700000000 ] - [ -0.0014816300000000, -0.0002774500000000, -0.0001981300000000 ] - [ -0.0007272500000000, 0.0001183200000000, 0.0002386700000000 ] - [ 0.0011043400000000, -0.0000618500000000, 0.0005349700000000 ] - [ 0.0013830400000000, -0.0001508200000000, 0.0008314600000000 ] - [ 0.0033710000000000, 0.0011706000000000, 0.0038570000000000 ] - [ 0.0001804000000000, 0.0002999100000000, -0.0002930500000000 ] - [ -0.0042149700000000, -0.0006008400000000, -0.0009816000000000 ] - [ -0.0010766100000000, 0.0003187800000000, -0.0006854500000000 ] - [ -0.0014695600000000, 0.0004030100000000, 0.0001200400000000 ] - [ -0.0003355600000000, -0.0007029600000000, 0.0001685400000000 ] - [ -0.0013597700000000, -0.0002070800000000, -0.0000068800000000 ] - [ -0.0009072600000000, 0.0000742700000000, 0.0003153200000000 ] - [ -0.0023450600000000, -0.0045725000000000, -0.0016347600000000 ] - [ 0.0002808200000000, 0.0014330300000000, -0.0010078400000000 ] - [ 0.0010906400000000, 0.0000886400000000, -0.0012374900000000 ] - [ 0.0004893600000000, 0.0003517500000000, -0.0007703300000000 ] - [ 0.0001218100000000, 0.0009937000000000, 0.0013330200000000 ] - [ 0.0001661000000000, -0.0034596100000000, 0.0042999200000000 ] - [ -0.0010566800000000, 0.0006194300000000, -0.0003238500000000 ] - [ -0.0010580300000000, 0.0005060000000000, -0.0002646700000000 ] - [ -0.0007534400000000, -0.0005245600000000, 0.0006469500000000 ] - [ -0.0007519700000000, 0.0016995600000000, 0.0008476200000000 ] - [ 0.0010736500000000, -0.0006226500000000, -0.0023513900000000 ] - [ 0.0001524100000000, -0.0004078600000000, 0.0000200200000000 ] - [ -0.0010863900000000, -0.0006979900000000, -0.0016142500000000 ] - [ -0.0003091600000000, -0.0001010000000000, -0.0005664900000000 ] - [ 0.0015956100000000, -0.0000252400000000, 0.0029227700000000 ] - [ 0.0001255300000000, -0.0004750400000000, 0.0009069100000000 ] - [ 0.0010471500000000, -0.0012947100000000, -0.0002765000000000 ] - [ 0.0008945300000000, 0.0003635300000000, -0.0006096100000000 ] - [ 0.0026316700000000, 0.0024456700000000, -0.0020447100000000 ] - [ 0.0004481700000000, -0.0012682800000000, -0.0006999300000000 ] - [ -0.0952296900000000, 0.0763416600000000, 0.0103845500000000 ] - [ -0.0005568700000000, 0.0002909900000000, -0.0001145800000000 ] - [ -0.0010707800000000, -0.0009013800000000, -0.0008680600000000 ] - [ -0.0011980800000000, 0.0002940800000000, -0.0032236200000000 ] - [ -0.0057043800000000, -0.0007878400000000, 0.0027052700000000 ] - [ -0.0006510000000000, -0.0009037600000000, 0.0002251000000000 ] - [ 0.0054194700000000, 0.0059055100000000, 0.0019908800000000 ] - [ 0.0005880800000000, -0.0007761900000000, 0.0002524900000000 ] - [ 0.0022449900000000, 0.0002366300000000, 0.0008607400000000 ] - [ 0.0011112500000000, 0.0002070000000000, 0.0005314800000000 ] - [ 0.0020552100000000, -0.0047366100000000, 0.0034677100000000 ] - [ -0.0011664500000000, 0.0014596400000000, 0.0006719400000000 ] - [ -0.0137025400000000, -0.0025971400000000, 0.0003755500000000 ] - [ -0.0020050900000000, -0.0029934300000000, -0.0000352000000000 ] - [ -0.0013012000000000, 0.0007906300000000, -0.0058036600000000 ] - [ -0.0001352800000000, -0.0001960700000000, -0.0008587400000000 ] - [ 0.0033864000000000, 0.0008341200000000, -0.0009239400000000 ] - [ 0.0000559400000000, -0.0002303500000000, -0.0003037900000000 ] - [ 0.0018079400000000, -0.0036329300000000, -0.0020573300000000 ] - [ 0.0005326200000000, 0.0027508100000000, -0.0014991300000000 ] - [ -0.0023439700000000, -0.0004263200000000, -0.0011018000000000 ] - [ -0.0001483300000000, -0.0021429300000000, -0.0026154900000000 ] - [ -0.0153292300000000, -0.0044901600000000, 0.0011137000000000 ] - [ -0.0010168500000000, -0.0007446500000000, 0.0003491500000000 ] - [ -0.0111929900000000, 0.0031920200000000, 0.0042874200000000 ] - [ -0.0004422400000000, -0.0006834300000000, -0.0006934100000000 ] - [ 0.0075429800000000, -0.0003434800000000, -0.0061379900000000 ] - [ 0.0000505700000000, 0.0000585200000000, -0.0003185800000000 ] - [ 0.0037914600000000, 0.0006916300000000, 0.0001574800000000 ] - [ 0.0010085300000000, -0.0002790500000000, 0.0001943500000000 ] - [ 0.0010832900000000, -0.0004793100000000, 0.0011696200000000 ] - [ 0.0016082100000000, 0.0001320800000000, 0.0020930100000000 ] - [ -0.0002742200000000, 0.0012394000000000, 0.0007999000000000 ] - [ -0.0004509800000000, -0.0012795500000000, 0.0031040900000000 ] - [ 0.0056041200000000, 0.0026264300000000, 0.0070843900000000 ] - [ 0.0003585800000000, -0.0004919300000000, -0.0001678500000000 ] - [ 0.0016703700000000, 0.0003692100000000, 0.0020235600000000 ] - [ 0.0003774800000000, -0.0003790500000000, 0.0009151900000000 ] - [ 0.0013852100000000, 0.0011500800000000, 0.0013071300000000 ] - [ 0.0015922400000000, -0.0013961300000000, 0.0012553500000000 ] - [ 0.0008662200000000, 0.0003044000000000, -0.0004795400000000 ] - [ 0.0008383300000000, -0.0003490400000000, -0.0007640600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0053206700000000, 0.0058337700000000, -0.0127664300000000 ] - [ 0.0021473300000000, 0.0032527200000000, 0.0005483100000000 ] - [ -0.0160717800000000, 0.0067706800000000, 0.0044481600000000 ] - [ 0.0018555900000000, 0.0021056300000000, -0.0000655000000000 ] - [ -0.0004381900000000, -0.0031677100000000, -0.0003416800000000 ] - [ -0.0000839400000000, 0.0024742100000000, 0.0007499100000000 ] - [ 0.0012216300000000, -0.0032749800000000, -0.0010045000000000 ] - [ 0.0001204800000000, 0.0009880000000000, -0.0001944800000000 ] - [ -0.0012697200000000, -0.0014344200000000, 0.0012515100000000 ] - [ -0.0003303400000000, 0.0012741300000000, 0.0003919500000000 ] - [ 0.0003419200000000, -0.0009158500000000, 0.0002438700000000 ] - [ 0.0002875000000000, 0.0008378500000000, -0.0004949300000000 ] - [ -0.0003048500000000, 0.0013391400000000, -0.0005188500000000 ] - [ 0.0009635600000000, -0.0005801000000000, -0.0003446700000000 ] - [ 0.0036926700000000, 0.0137500000000000, 0.0062496500000000 ] - [ -0.0126358700000000, 0.0293352600000000, -0.0123590800000000 ] - [ 0.0008234200000000, -0.0012426800000000, 0.0006207400000000 ] - [ 0.0003979100000000, 0.0007869600000000, 0.0003449100000000 ] - [ -0.0005666700000000, 0.0000380400000000, -0.0007113600000000 ] - [ -0.0002971900000000, 0.0001693900000000, -0.0001599600000000 ] - [ 0.0066114700000000, 0.0014471400000000, -0.0044830300000000 ] - [ -0.0028866300000000, 0.0027718000000000, -0.0000984700000000 ] - [ -0.0107946800000000, -0.0034668100000000, 0.0000819900000000 ] - [ 0.0022562300000000, 0.0019540000000000, 0.0000722700000000 ] - [ -0.0111013200000000, 0.0236254600000000, 0.0286218500000000 ] - [ -0.0006777200000000, 0.0032202800000000, -0.0007666100000000 ] - [ 0.0014257600000000, -0.0022874100000000, 0.0000218800000000 ] - [ -0.0000537800000000, 0.0012995100000000, -0.0010684200000000 ] - [ 0.0001449000000000, 0.0017078900000000, -0.0013107800000000 ] - [ 0.0017730100000000, -0.0009555300000000, 0.0016673700000000 ] - [ -0.0006036700000000, -0.0011678400000000, 0.0003977300000000 ] - [ -0.0004581000000000, 0.0010953800000000, 0.0003959200000000 ] - [ 0.1106395200000000, -0.2790781700000000, -0.0212384400000000 ] - [ -0.0007679500000000, 0.0054979100000000, -0.0007231300000000 ] - [ 0.0002180700000000, -0.0042155300000000, -0.0000010600000000 ] - [ 0.0005563900000000, 0.0021139800000000, 0.0000766700000000 ] - [ -0.0007564000000000, -0.0009206900000000, 0.0002328200000000 ] - [ 0.0003437700000000, 0.0002849500000000, 0.0010250600000000 ] - [ 0.0004384900000000, -0.0009328900000000, -0.0006354100000000 ] - [ -0.0006903300000000, 0.0003906000000000, 0.0004024000000000 ] - [ -0.0008615700000000, -0.0004465400000000, -0.0001800800000000 ] - [ 0.0004179400000000, 0.0009024800000000, -0.0002670200000000 ] - [ -0.0014877300000000, -0.0003229300000000, 0.0000779700000000 ] - [ -0.0000371300000000, 0.0008550300000000, 0.0003309800000000 ] - [ 0.0002110000000000, 0.0003739100000000, 0.0011880600000000 ] - [ -0.0010220800000000, -0.0008265300000000, -0.0013247400000000 ] - [ 0.0014768900000000, 0.0004321400000000, -0.0003179100000000 ] - [ -0.0016566400000000, -0.0004320500000000, -0.0008569100000000 ] - [ -0.0010024200000000, -0.0010107800000000, -0.0010542600000000 ] - [ -0.0002767100000000, 0.0007158200000000, 0.0006076000000000 ] - [ 0.0046307200000000, 0.0012158000000000, 0.0097472000000000 ] - [ -0.0001147100000000, 0.0042699900000000, -0.0028866200000000 ] - [ 0.0013881700000000, -0.0023884700000000, -0.0004078200000000 ] - [ -0.0002509400000000, 0.0016138800000000, 0.0000136800000000 ] - [ -0.0007960900000000, -0.0009965000000000, 0.0003759000000000 ] - [ -0.0002496800000000, 0.0008253700000000, 0.0003215700000000 ] - [ 0.0002083800000000, 0.0002751000000000, 0.0013532300000000 ] - [ 0.0007096700000000, 0.0001536600000000, -0.0005527700000000 ] - [ -0.0014618600000000, -0.0028485700000000, 0.0013001900000000 ] - [ -0.0000213600000000, 0.0013780000000000, -0.0003599800000000 ] - [ -0.0004181000000000, -0.0007601300000000, -0.0002205000000000 ] - [ -0.0008668700000000, 0.0007091300000000, -0.0005754500000000 ] - [ -0.0017135700000000, -0.0002938900000000, 0.0005216700000000 ] - [ 0.0009848200000000, 0.0003395200000000, 0.0004861700000000 ] - [ -0.0006065500000000, -0.0009779100000000, 0.0005043400000000 ] - [ -0.0006178800000000, 0.0007141200000000, 0.0006239200000000 ] - [ 0.0016640200000000, -0.0013351600000000, -0.0006644400000000 ] - [ -0.0000276800000000, 0.0018529700000000, -0.0008881900000000 ] - [ 0.0009375200000000, -0.0015945700000000, 0.0009349500000000 ] - [ 0.0002203300000000, 0.0014340600000000, -0.0010010300000000 ] - [ -0.0007180400000000, 0.0015641700000000, 0.0010796000000000 ] - [ 0.0004430800000000, -0.0011557100000000, 0.0005732600000000 ] - [ -0.0002831400000000, 0.0004533000000000, -0.0002104300000000 ] - [ -0.0003987100000000, 0.0004591300000000, -0.0001856100000000 ] - [ 0.0014896600000000, 0.0006743400000000, 0.0003868400000000 ] - [ -0.0007482300000000, 0.0006811600000000, 0.0002552100000000 ] - [ 0.0003991100000000, -0.0044126200000000, -0.0007864600000000 ] - [ 0.0001824500000000, 0.0026572200000000, 0.0006620400000000 ] - [ -0.0004720600000000, -0.0014789200000000, -0.0005386400000000 ] - [ 0.0001262300000000, 0.0006597000000000, -0.0002825500000000 ] - [ 0.0000106000000000, 0.0015447300000000, 0.0010373000000000 ] - [ -0.0002167600000000, -0.0016615400000000, 0.0002830200000000 ] - [ 0.0004724500000000, -0.0010371900000000, 0.0005918500000000 ] - [ -0.0002586800000000, -0.0003051200000000, -0.0018191000000000 ] - [ -0.0060138800000000, 0.0031184900000000, -0.0007990200000000 ] - [ 0.0029809200000000, -0.0018224700000000, -0.0002554700000000 ] - [ -0.0748560400000000, 0.1437132500000000, 0.0124106800000000 ] - [ -0.0013790500000000, -0.0070623900000000, 0.0038982100000000 ] - [ 0.0001406500000000, -0.0013335100000000, -0.0005294400000000 ] - [ -0.0002771200000000, -0.0001003000000000, 0.0002415700000000 ] - [ -0.0002511800000000, 0.0070199400000000, -0.0052656100000000 ] - [ -0.0001569200000000, -0.0040422300000000, 0.0011468100000000 ] - [ -0.0005581800000000, 0.0024563600000000, -0.0010760100000000 ] - [ 0.0003831100000000, -0.0018102300000000, 0.0001601600000000 ] - [ 0.0013250100000000, 0.0013438400000000, 0.0003065400000000 ] - [ -0.0003653300000000, -0.0005429900000000, 0.0002742900000000 ] - [ 0.0062086200000000, 0.0005383400000000, 0.0029341800000000 ] - [ -0.0021160300000000, -0.0014451500000000, -0.0003320900000000 ] - [ -0.0004899700000000, 0.0412274500000000, -0.0056431300000000 ] - [ -0.0029191100000000, -0.0122356700000000, -0.0020797000000000 ] - [ 0.0005289700000000, 0.0031912000000000, -0.0005690900000000 ] - [ 0.0006475500000000, -0.0023889400000000, -0.0003394400000000 ] - [ 0.0002269300000000, 0.0022023900000000, 0.0001706500000000 ] - [ -0.0005600400000000, -0.0018105300000000, -0.0003969800000000 ] - [ 0.0041642800000000, -0.0010449600000000, -0.0035758700000000 ] - [ -0.0010960500000000, -0.0008310200000000, -0.0002954000000000 ] - [ -0.0021050600000000, -0.0014475100000000, 0.0058538400000000 ] - [ 0.0002721900000000, -0.0073327800000000, -0.0054949500000000 ] - [ 0.0020743400000000, 0.0173829200000000, -0.0004990200000000 ] - [ 0.0003291500000000, -0.0038004600000000, 0.0003690200000000 ] - [ -0.0038744300000000, 0.0188920400000000, -0.0030764800000000 ] - [ 0.0004555200000000, -0.0040552700000000, 0.0000469400000000 ] - [ 0.0036866700000000, 0.0021055700000000, -0.0018392200000000 ] - [ -0.0008526100000000, -0.0020787400000000, 0.0002761200000000 ] - [ 0.0007176600000000, 0.0011693200000000, -0.0000804400000000 ] - [ 0.0002082200000000, -0.0011648800000000, -0.0000926900000000 ] - [ 0.0001482600000000, -0.0004005000000000, 0.0002722300000000 ] - [ 0.0005405200000000, 0.0001147200000000, 0.0003498800000000 ] - [ -0.0029224800000000, -0.0028341300000000, -0.0045117300000000 ] - [ 0.0046951200000000, 0.0005712200000000, 0.0093671700000000 ] - [ 0.0015399700000000, 0.0043765600000000, 0.0020245400000000 ] - [ -0.0004536600000000, -0.0026606800000000, -0.0006561500000000 ] - [ -0.0002243400000000, 0.0022138000000000, 0.0005223200000000 ] - [ 0.0001348100000000, -0.0018813900000000, 0.0004583600000000 ] - [ -0.0007779200000000, 0.0004664600000000, 0.0004224500000000 ] - [ 0.0009930100000000, -0.0008282100000000, 0.0005114300000000 ] - [ -0.0002790700000000, 0.0002099800000000, -0.0011178200000000 ] - [ 0.0005893200000000, -0.0005525800000000, 0.0000740900000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0056333300000000, -0.0053872000000000, 0.0119612500000000 ] - [ -0.0017634900000000, -0.0028251000000000, -0.0011939900000000 ] - [ 0.0154478100000000, -0.0062865700000000, -0.0037519100000000 ] - [ -0.0022558000000000, -0.0016681900000000, 0.0006911500000000 ] - [ 0.0000350300000000, 0.0027128300000000, 0.0009888200000000 ] - [ -0.0003124500000000, -0.0028936800000000, -0.0001181400000000 ] - [ -0.0007774000000000, 0.0027719800000000, 0.0003430000000000 ] - [ 0.0002601800000000, -0.0014047100000000, -0.0004349100000000 ] - [ 0.0004924800000000, 0.0013816200000000, -0.0006971900000000 ] - [ -0.0004427600000000, -0.0013389200000000, 0.0001703300000000 ] - [ 0.0004325600000000, 0.0008494800000000, -0.0008086800000000 ] - [ 0.0004886700000000, -0.0009048400000000, -0.0000709200000000 ] - [ 0.0010803300000000, -0.0012840300000000, -0.0000501700000000 ] - [ -0.0001874000000000, 0.0006650400000000, -0.0002178800000000 ] - [ -0.0044189500000000, -0.0134889500000000, -0.0055707900000000 ] - [ 0.0120658100000000, -0.0296836400000000, 0.0131646300000000 ] - [ 0.0000613800000000, 0.0012255900000000, 0.0002708000000000 ] - [ 0.0004662500000000, -0.0007765500000000, 0.0005254300000000 ] - [ -0.0002900600000000, -0.0000366200000000, -0.0001574000000000 ] - [ -0.0005583000000000, -0.0001579300000000, -0.0007040100000000 ] - [ -0.0073993300000000, -0.0014597200000000, 0.0035636200000000 ] - [ 0.0020215200000000, -0.0027658500000000, -0.0007783200000000 ] - [ 0.0115220700000000, 0.0035650200000000, 0.0007879200000000 ] - [ -0.0013649800000000, -0.0019384200000000, 0.0007886500000000 ] - [ 0.0102916700000000, -0.0240142300000000, -0.0278347500000000 ] - [ -0.0003107600000000, -0.0034107000000000, 0.0018958600000000 ] - [ -0.0004338600000000, 0.0020516300000000, -0.0011676400000000 ] - [ 0.0010447800000000, -0.0015104000000000, -0.0000852700000000 ] - [ 0.0008323200000000, -0.0014898400000000, 0.0001428700000000 ] - [ -0.0007976000000000, 0.0011953900000000, -0.0028051300000000 ] - [ -0.0003732300000000, 0.0013744000000000, 0.0007623900000000 ] - [ -0.0005257600000000, -0.0008660400000000, 0.0007518100000000 ] - [ -0.1178130500000000, 0.2833156100000000, 0.0218014300000000 ] - [ 0.0004972400000000, -0.0047762800000000, 0.0002447900000000 ] - [ 0.0001593400000000, 0.0048940100000000, 0.0005141900000000 ] - [ -0.0002840000000000, -0.0013935700000000, 0.0003839700000000 ] - [ 0.0010215500000000, 0.0002008700000000, 0.0002365400000000 ] - [ -0.0000843800000000, -0.0009772100000000, -0.0005602000000000 ] - [ -0.0007034900000000, 0.0002116400000000, 0.0001649200000000 ] - [ 0.0004288800000000, -0.0010776300000000, -0.0008757200000000 ] - [ 0.0012542500000000, 0.0008769200000000, -0.0004559600000000 ] - [ -0.0000260900000000, -0.0004713800000000, -0.0003556500000000 ] - [ 0.0010881500000000, 0.0007670000000000, 0.0005607000000000 ] - [ -0.0003460800000000, -0.0004192700000000, 0.0002917600000000 ] - [ -0.0005944600000000, -0.0008016700000000, -0.0005479600000000 ] - [ 0.0006341000000000, 0.0003968400000000, 0.0019643900000000 ] - [ -0.0010764900000000, -0.0008649800000000, -0.0003166000000000 ] - [ 0.0020454200000000, -0.0000081600000000, 0.0002201000000000 ] - [ 0.0002272600000000, 0.0009353900000000, 0.0016208100000000 ] - [ -0.0005049400000000, -0.0007632100000000, -0.0000388900000000 ] - [ -0.0038208600000000, -0.0013039100000000, -0.0102251600000000 ] - [ 0.0009007800000000, -0.0043292600000000, 0.0023259200000000 ] - [ -0.0005987500000000, 0.0024346200000000, -0.0001715700000000 ] - [ 0.0010318300000000, -0.0015552000000000, -0.0005836300000000 ] - [ 0.0000144100000000, 0.0010508900000000, 0.0001954700000000 ] - [ -0.0005287300000000, -0.0007620000000000, 0.0002472300000000 ] - [ 0.0006430400000000, -0.0002747600000000, -0.0004783200000000 ] - [ 0.0001470900000000, -0.0001386500000000, 0.0014227000000000 ] - [ 0.0005961200000000, 0.0028250300000000, -0.0022158600000000 ] - [ -0.0008459200000000, -0.0013702600000000, -0.0005024600000000 ] - [ -0.0004190400000000, 0.0007580200000000, -0.0006498700000000 ] - [ 0.0000002500000000, -0.0007136900000000, -0.0002913000000000 ] - [ 0.0025609900000000, 0.0002806800000000, 0.0003442400000000 ] - [ -0.0001174400000000, -0.0003385500000000, 0.0003880600000000 ] - [ -0.0003764200000000, 0.0007549800000000, 0.0006528900000000 ] - [ -0.0003735000000000, -0.0009278800000000, 0.0005288800000000 ] - [ -0.0006713700000000, 0.0011566800000000, -0.0004898200000000 ] - [ 0.0010026300000000, -0.0020719000000000, -0.0002608700000000 ] - [ 0.0000413300000000, 0.0017896400000000, -0.0020865200000000 ] - [ 0.0007623000000000, -0.0012057900000000, -0.0001400500000000 ] - [ -0.0002729000000000, -0.0013482600000000, 0.0000853100000000 ] - [ -0.0014227100000000, 0.0014013100000000, 0.0005772700000000 ] - [ 0.0000225900000000, 0.0002425100000000, -0.0002589100000000 ] - [ 0.0001290900000000, 0.0002499100000000, -0.0002811600000000 ] - [ -0.0012135400000000, 0.0000239700000000, 0.0000803600000000 ] - [ 0.0010170400000000, 0.0000323200000000, 0.0002160700000000 ] - [ -0.0001486500000000, 0.0037136800000000, 0.0012462500000000 ] - [ 0.0000929600000000, -0.0033573500000000, -0.0001863100000000 ] - [ 0.0002147900000000, 0.0007768100000000, 0.0000736200000000 ] - [ -0.0003845700000000, -0.0013577100000000, -0.0001854300000000 ] - [ -0.0001499700000000, -0.0021438600000000, -0.0004541300000000 ] - [ 0.0000970300000000, 0.0010419100000000, 0.0002998900000000 ] - [ -0.0003462300000000, 0.0004309200000000, -0.0011665600000000 ] - [ 0.0003795500000000, -0.0003188600000000, 0.0012252800000000 ] - [ 0.0060907900000000, -0.0024694400000000, 0.0002071500000000 ] - [ -0.0028620000000000, 0.0024173300000000, -0.0003278600000000 ] - [ 0.0810659400000000, -0.1498730300000000, -0.0126691400000000 ] - [ 0.0012313500000000, 0.0076084300000000, -0.0032705400000000 ] - [ -0.0002593200000000, 0.0007273900000000, 0.0011070700000000 ] - [ 0.0001594600000000, -0.0005257300000000, 0.0003525200000000 ] - [ 0.0004168200000000, -0.0075701400000000, 0.0046841200000000 ] - [ 0.0002827800000000, 0.0034170100000000, -0.0017410200000000 ] - [ 0.0006478900000000, -0.0018885600000000, 0.0004874800000000 ] - [ -0.0002546400000000, 0.0024182000000000, -0.0007389300000000 ] - [ -0.0014461200000000, -0.0007171600000000, 0.0002750400000000 ] - [ 0.0002415400000000, 0.0011459900000000, 0.0003102900000000 ] - [ -0.0064554000000000, -0.0005796500000000, -0.0028406100000000 ] - [ 0.0018388700000000, 0.0013251700000000, 0.0004091300000000 ] - [ 0.0010868800000000, -0.0380166700000000, 0.0056399000000000 ] - [ 0.0032153700000000, 0.0121550600000000, 0.0020289400000000 ] - [ -0.0002414900000000, -0.0030803900000000, 0.0005136000000000 ] - [ -0.0003577300000000, 0.0024638100000000, 0.0002656900000000 ] - [ -0.0005268000000000, -0.0020981300000000, -0.0001013300000000 ] - [ 0.0002751200000000, 0.0018869800000000, 0.0004762000000000 ] - [ -0.0039630600000000, 0.0008152800000000, 0.0025701300000000 ] - [ 0.0012647600000000, 0.0005508500000000, -0.0006836700000000 ] - [ 0.0019278800000000, 0.0012100300000000, -0.0048274600000000 ] - [ -0.0004333900000000, 0.0070593100000000, 0.0064714900000000 ] - [ -0.0022197900000000, -0.0169516500000000, 0.0014873600000000 ] - [ -0.0004806500000000, 0.0040333000000000, 0.0006108300000000 ] - [ 0.0040100200000000, -0.0185960000000000, 0.0019147200000000 ] - [ -0.0002871800000000, 0.0042933700000000, -0.0010177800000000 ] - [ -0.0039282600000000, -0.0021863500000000, 0.0018815500000000 ] - [ 0.0005550400000000, 0.0019798100000000, -0.0001930200000000 ] - [ -0.0004365600000000, -0.0012490900000000, 0.0000086100000000 ] - [ 0.0000715500000000, 0.0010713100000000, 0.0000201900000000 ] - [ 0.0001253800000000, 0.0004880400000000, -0.0003480000000000 ] - [ -0.0002623100000000, -0.0000364700000000, -0.0004319800000000 ] - [ 0.0026124800000000, 0.0029234600000000, 0.0045296900000000 ] - [ -0.0050019200000000, -0.0005080900000000, -0.0093204900000000 ] - [ -0.0013477900000000, -0.0045958500000000, -0.0029801800000000 ] - [ 0.0006013900000000, 0.0023910200000000, -0.0003388000000000 ] - [ 0.0000441700000000, -0.0024554000000000, 0.0004631700000000 ] - [ -0.0003054600000000, 0.0016209200000000, 0.0005185200000000 ] - [ 0.0005953300000000, -0.0002047200000000, 0.0005567000000000 ] - [ -0.0011648800000000, 0.0010646100000000, 0.0004805500000000 ] - [ 0.0004448900000000, 0.0000498500000000, 0.0001327900000000 ] - [ -0.0004214800000000, 0.0007942100000000, -0.0010681600000000 ]- atom: 33 displacement: [ -0.0053469176449015, 0.0000000000000000, 0.0084504716849795 ] forces: - [ 0.0045333300000000, -0.0067317500000000, 0.0006832600000000 ] - [ 0.0017579600000000, 0.0022180300000000, -0.0010088000000000 ] - [ -0.0056174900000000, 0.0105361200000000, -0.0015546300000000 ] - [ 0.0002822700000000, -0.0003213600000000, -0.0002705000000000 ] - [ -0.0033272300000000, -0.0018444500000000, 0.0051559600000000 ] - [ -0.0004859000000000, 0.0011548800000000, 0.0008641200000000 ] - [ -0.0089187800000000, 0.0067526000000000, 0.0079571100000000 ] - [ -0.0001347500000000, -0.0003253100000000, 0.0001085500000000 ] - [ -0.0013780000000000, -0.0003994000000000, 0.0030054800000000 ] - [ -0.0005823800000000, 0.0003434200000000, 0.0008797700000000 ] - [ -0.0003393100000000, -0.0006499300000000, 0.0007349200000000 ] - [ 0.0002163300000000, 0.0002103400000000, -0.0000295500000000 ] - [ 0.0006256900000000, 0.0001524300000000, -0.0007149400000000 ] - [ 0.0008993900000000, -0.0005743800000000, -0.0017429000000000 ] - [ -0.0005634600000000, -0.0000387500000000, -0.0002118300000000 ] - [ 0.0071773800000000, -0.0115422800000000, -0.0036051400000000 ] - [ 0.0025555200000000, -0.0014623900000000, 0.0032745400000000 ] - [ 0.0006610400000000, 0.0000867500000000, 0.0005639600000000 ] - [ -0.0005962300000000, -0.0000495100000000, -0.0004247000000000 ] - [ -0.0000299900000000, 0.0002016300000000, -0.0000924200000000 ] - [ -0.0019972900000000, -0.0032749700000000, 0.0000906400000000 ] - [ -0.0016940900000000, 0.0019108600000000, -0.0014197100000000 ] - [ -0.0148955500000000, 0.0072832900000000, -0.0055826200000000 ] - [ 0.0004768600000000, 0.0000397200000000, 0.0001990600000000 ] - [ -0.0037988100000000, 0.0313505600000000, 0.0165634400000000 ] - [ -0.0003481700000000, -0.0005640500000000, 0.0001267600000000 ] - [ -0.0004211300000000, -0.0011302900000000, -0.0010015900000000 ] - [ 0.0002537600000000, 0.0002854100000000, -0.0009503400000000 ] - [ 0.0006082600000000, 0.0001089000000000, 0.0000736700000000 ] - [ 0.0010547000000000, 0.0015319900000000, 0.0027467900000000 ] - [ -0.0002458000000000, -0.0005868400000000, 0.0003301500000000 ] - [ -0.0004022800000000, 0.0003308900000000, 0.0004134200000000 ] - [ 0.1065410100000000, -0.0778557500000000, -0.0697194600000000 ] - [ 0.0001298800000000, 0.0002803900000000, -0.0006720900000000 ] - [ -0.0002361700000000, 0.0005878300000000, -0.0050441500000000 ] - [ 0.0005327000000000, 0.0007121400000000, -0.0002095900000000 ] - [ -0.0012103800000000, 0.0001265900000000, 0.0013740500000000 ] - [ -0.0003583800000000, 0.0001992400000000, 0.0015597300000000 ] - [ -0.0007998300000000, 0.0002971700000000, 0.0013023200000000 ] - [ -0.0013597000000000, -0.0011969500000000, 0.0013471500000000 ] - [ -0.0012220600000000, 0.0001464400000000, 0.0003059800000000 ] - [ -0.0000366200000000, 0.0003616400000000, -0.0001337000000000 ] - [ -0.0021335900000000, 0.0002604100000000, -0.0000819800000000 ] - [ -0.0003193500000000, 0.0001982200000000, 0.0002765900000000 ] - [ 0.0000791700000000, -0.0000069200000000, 0.0005009200000000 ] - [ 0.0001224000000000, -0.0004960000000000, 0.0006149100000000 ] - [ 0.0007763200000000, -0.0001104500000000, -0.0005773700000000 ] - [ 0.0007021100000000, 0.0002795500000000, -0.0013804300000000 ] - [ -0.0001392600000000, -0.0002404600000000, -0.0006365500000000 ] - [ -0.0002662000000000, -0.0000319300000000, 0.0001208200000000 ] - [ 0.0038507200000000, 0.0038676000000000, 0.0009578400000000 ] - [ 0.0004275500000000, -0.0007728500000000, -0.0002883300000000 ] - [ -0.0002783400000000, -0.0002595400000000, 0.0015728100000000 ] - [ 0.0000560700000000, 0.0004736700000000, 0.0001394300000000 ] - [ -0.0009548000000000, -0.0002582300000000, 0.0004645500000000 ] - [ -0.0005030600000000, 0.0001035200000000, 0.0005256500000000 ] - [ 0.0003626000000000, 0.0004088100000000, 0.0009158900000000 ] - [ 0.0006071800000000, -0.0004636300000000, 0.0014742500000000 ] - [ -0.0011758900000000, 0.0021995100000000, 0.0098113900000000 ] - [ -0.0005208500000000, 0.0000878400000000, -0.0002346400000000 ] - [ -0.0014459400000000, -0.0000187700000000, -0.0008013900000000 ] - [ -0.0005683700000000, 0.0001229400000000, -0.0005804400000000 ] - [ -0.0005133200000000, 0.0001328500000000, -0.0003804800000000 ] - [ -0.0000690500000000, -0.0005108500000000, 0.0001389900000000 ] - [ -0.0007246600000000, -0.0001396400000000, 0.0007326900000000 ] - [ -0.0006335900000000, -0.0000568600000000, 0.0006406400000000 ] - [ -0.0020985800000000, -0.0036827200000000, -0.0035358900000000 ] - [ 0.0002342200000000, 0.0011073000000000, -0.0012294000000000 ] - [ 0.0016619400000000, 0.0005733300000000, 0.0009459600000000 ] - [ 0.0005086800000000, 0.0001047600000000, -0.0003765400000000 ] - [ -0.0003067800000000, 0.0008368800000000, 0.0011097700000000 ] - [ -0.0011571300000000, -0.0039106100000000, 0.0042013000000000 ] - [ -0.0005961500000000, 0.0005351200000000, -0.0000946400000000 ] - [ -0.0005494800000000, 0.0004536300000000, -0.0000636200000000 ] - [ -0.0008660200000000, -0.0001353500000000, 0.0005610200000000 ] - [ -0.0006963000000000, 0.0009453800000000, 0.0006693800000000 ] - [ 0.0028250500000000, -0.0013590400000000, 0.0004916000000000 ] - [ 0.0003146300000000, -0.0000203900000000, 0.0001786100000000 ] - [ 0.0005276100000000, -0.0002774800000000, -0.0007562300000000 ] - [ 0.0000577100000000, -0.0001743400000000, -0.0003385900000000 ] - [ -0.0019588300000000, -0.0000004700000000, 0.0011887100000000 ] - [ -0.0004074000000000, -0.0004837900000000, 0.0004601700000000 ] - [ 0.0004807700000000, -0.0008612600000000, -0.0009489400000000 ] - [ -0.0002107000000000, -0.0007047500000000, -0.0030195600000000 ] - [ 0.0033434500000000, 0.0010203300000000, -0.0009443500000000 ] - [ 0.0014020600000000, -0.0006430800000000, -0.0003271900000000 ] - [ -0.0591508900000000, 0.0516121800000000, 0.0410661900000000 ] - [ -0.0004580900000000, 0.0002248800000000, 0.0011044500000000 ] - [ 0.0001764900000000, -0.0010094800000000, -0.0007086100000000 ] - [ 0.0003375500000000, 0.0009817100000000, -0.0037975500000000 ] - [ -0.0067762600000000, -0.0020062900000000, -0.0051738300000000 ] - [ 0.0001152600000000, -0.0002617900000000, -0.0004693000000000 ] - [ 0.0013175300000000, 0.0006612300000000, 0.0031806000000000 ] - [ 0.0001059000000000, -0.0001493700000000, 0.0006213400000000 ] - [ 0.0011014400000000, 0.0003246200000000, 0.0002192500000000 ] - [ 0.0005584400000000, 0.0002554700000000, 0.0001001000000000 ] - [ -0.0013521100000000, -0.0009686300000000, 0.0045852200000000 ] - [ -0.0015050300000000, 0.0005250200000000, 0.0012405800000000 ] - [ -0.0073240700000000, -0.0012208600000000, 0.0111121300000000 ] - [ -0.0003864700000000, -0.0005838900000000, 0.0041130400000000 ] - [ 0.0038709000000000, 0.0002811800000000, -0.0072721200000000 ] - [ 0.0007924400000000, -0.0002628800000000, -0.0008643900000000 ] - [ 0.0041851100000000, 0.0011313200000000, -0.0033479600000000 ] - [ -0.0000262300000000, -0.0004061200000000, -0.0007227600000000 ] - [ 0.0023577300000000, -0.0035963800000000, -0.0015712500000000 ] - [ 0.0015676500000000, 0.0024946900000000, -0.0012627500000000 ] - [ 0.0008189800000000, 0.0018622800000000, -0.0022298500000000 ] - [ 0.0012605900000000, -0.0063893500000000, -0.0043230100000000 ] - [ -0.0093910500000000, -0.0044093300000000, 0.0096212500000000 ] - [ -0.0003493300000000, -0.0004735700000000, 0.0006241000000000 ] - [ -0.0129876300000000, 0.0042086000000000, -0.0115509100000000 ] - [ -0.0003866000000000, -0.0005158900000000, -0.0003159200000000 ] - [ 0.0049841000000000, -0.0000225200000000, -0.0036310500000000 ] - [ 0.0002045100000000, -0.0000387500000000, -0.0002169300000000 ] - [ 0.0017280800000000, 0.0003397800000000, -0.0004420600000000 ] - [ 0.0004477500000000, -0.0002432900000000, -0.0001848700000000 ] - [ -0.0003105200000000, 0.0001100400000000, 0.0001615500000000 ] - [ -0.0003955400000000, 0.0000207500000000, 0.0006689300000000 ] - [ -0.0009791300000000, -0.0017511700000000, -0.0001059600000000 ] - [ -0.0023946700000000, 0.0011542900000000, -0.0009551600000000 ] - [ 0.0007188200000000, 0.0017199300000000, 0.0043844700000000 ] - [ -0.0001811600000000, -0.0004576100000000, -0.0000815300000000 ] - [ -0.0004043200000000, 0.0005095700000000, -0.0002356000000000 ] - [ -0.0001372800000000, -0.0003206000000000, 0.0004062200000000 ] - [ 0.0002859900000000, 0.0007958600000000, 0.0008255900000000 ] - [ 0.0003336300000000, -0.0006143700000000, 0.0008438300000000 ] - [ 0.0005500800000000, -0.0003895000000000, -0.0014756400000000 ] - [ 0.0005244900000000, 0.0001250500000000, -0.0013093400000000 ]- atom: 33 displacement: [ 0.0053469176449015, 0.0000000000000000, -0.0084504716849795 ] forces: - [ -0.0041449400000000, 0.0071376100000000, -0.0012546100000000 ] - [ -0.0013650200000000, -0.0018107900000000, 0.0003835700000000 ] - [ 0.0052227700000000, -0.0100203300000000, 0.0021409900000000 ] - [ -0.0006520500000000, 0.0007423600000000, 0.0008854300000000 ] - [ 0.0029263200000000, 0.0014367500000000, -0.0045251000000000 ] - [ 0.0000889300000000, -0.0015783000000000, -0.0002322800000000 ] - [ 0.0092237300000000, -0.0070778100000000, -0.0084833800000000 ] - [ 0.0005234700000000, -0.0001010200000000, -0.0007312100000000 ] - [ 0.0006031200000000, 0.0003318000000000, -0.0024248400000000 ] - [ -0.0001911700000000, -0.0004092600000000, -0.0003076400000000 ] - [ 0.0011042500000000, 0.0005725500000000, -0.0013096500000000 ] - [ 0.0005594000000000, -0.0002751300000000, -0.0005415800000000 ] - [ 0.0001534900000000, -0.0000924000000000, 0.0001397200000000 ] - [ -0.0001281800000000, 0.0006406200000000, 0.0011538700000000 ] - [ -0.0002324700000000, 0.0000522400000000, 0.0007606700000000 ] - [ -0.0079687900000000, 0.0117511900000000, 0.0041126000000000 ] - [ -0.0017150500000000, 0.0014757500000000, -0.0024191100000000 ] - [ 0.0002123700000000, -0.0000878000000000, 0.0003096100000000 ] - [ -0.0002724700000000, 0.0000531400000000, -0.0004425700000000 ] - [ -0.0008428800000000, -0.0002017000000000, -0.0007756900000000 ] - [ 0.0011303400000000, 0.0032971100000000, -0.0009504800000000 ] - [ 0.0008195600000000, -0.0019087800000000, 0.0005573800000000 ] - [ 0.0157572900000000, -0.0073078700000000, 0.0065642300000000 ] - [ 0.0003898100000000, -0.0000366200000000, 0.0006716700000000 ] - [ 0.0027698000000000, -0.0319224500000000, -0.0154910300000000 ] - [ -0.0006365500000000, 0.0003461300000000, 0.0010313800000000 ] - [ 0.0013982900000000, 0.0009049400000000, -0.0001391300000000 ] - [ 0.0007278100000000, -0.0005081700000000, -0.0001937200000000 ] - [ 0.0003694300000000, 0.0001121400000000, -0.0012185600000000 ] - [ -0.0000704900000000, -0.0013262400000000, -0.0038913700000000 ] - [ -0.0007400400000000, 0.0008080900000000, 0.0008117000000000 ] - [ -0.0005831100000000, -0.0001083800000000, 0.0007279500000000 ] - [ -0.1057472500000000, 0.0805945500000000, 0.0681571800000000 ] - [ -0.0003874100000000, 0.0004210700000000, 0.0002099800000000 ] - [ 0.0005451700000000, 0.0001206100000000, 0.0054951100000000 ] - [ -0.0002534300000000, 0.0000045600000000, 0.0006675800000000 ] - [ 0.0014727300000000, -0.0008225900000000, -0.0009053600000000 ] - [ 0.0006191800000000, -0.0009104200000000, -0.0010986600000000 ] - [ 0.0005334800000000, -0.0009896900000000, -0.0017538500000000 ] - [ 0.0010919700000000, 0.0004816000000000, -0.0018010800000000 ] - [ 0.0016137700000000, 0.0002761500000000, -0.0009359200000000 ] - [ 0.0004230300000000, 0.0000635400000000, -0.0004854500000000 ] - [ 0.0017325700000000, 0.0001759200000000, 0.0007153300000000 ] - [ -0.0000740900000000, 0.0002314400000000, 0.0003434400000000 ] - [ -0.0004685300000000, -0.0004132700000000, 0.0001170000000000 ] - [ -0.0005235300000000, 0.0000647300000000, 0.0000004100000000 ] - [ -0.0003945900000000, -0.0003132100000000, -0.0000523300000000 ] - [ -0.0003278700000000, -0.0007211700000000, 0.0007514700000000 ] - [ -0.0006405900000000, 0.0001845000000000, 0.0012129500000000 ] - [ -0.0005164000000000, -0.0000247200000000, 0.0004515400000000 ] - [ -0.0030619100000000, -0.0039311200000000, -0.0015763900000000 ] - [ 0.0003538100000000, 0.0007363700000000, -0.0002987100000000 ] - [ 0.0010627200000000, 0.0003275800000000, -0.0021324300000000 ] - [ 0.0007234100000000, -0.0004199400000000, -0.0007134300000000 ] - [ 0.0001653200000000, 0.0003225300000000, 0.0001005400000000 ] - [ -0.0002786300000000, -0.0000455200000000, 0.0000501400000000 ] - [ 0.0005039700000000, -0.0004049000000000, -0.0000522100000000 ] - [ 0.0002813900000000, 0.0004602500000000, -0.0006053500000000 ] - [ 0.0003190000000000, -0.0021573800000000, -0.0105369400000000 ] - [ -0.0003403600000000, -0.0000873700000000, -0.0006344500000000 ] - [ 0.0005745000000000, 0.0000219700000000, -0.0000786800000000 ] - [ -0.0003020600000000, -0.0001255200000000, -0.0002872700000000 ] - [ 0.0013737200000000, -0.0001311400000000, 0.0012395100000000 ] - [ 0.0009349200000000, 0.0005023600000000, 0.0007293600000000 ] - [ -0.0002598200000000, -0.0000770900000000, 0.0004142800000000 ] - [ -0.0003570100000000, -0.0001665600000000, 0.0005002000000000 ] - [ 0.0030610600000000, 0.0034223000000000, 0.0023427100000000 ] - [ 0.0007466100000000, -0.0013257700000000, 0.0000834000000000 ] - [ -0.0006668600000000, -0.0003527700000000, -0.0021011100000000 ] - [ 0.0004722800000000, 0.0001176400000000, -0.0007729700000000 ] - [ -0.0006699600000000, -0.0006123500000000, 0.0000413100000000 ] - [ 0.0001871500000000, 0.0040833200000000, -0.0030095200000000 ] - [ 0.0003285300000000, 0.0001710100000000, -0.0003712400000000 ] - [ 0.0002751300000000, 0.0002530500000000, -0.0004002100000000 ] - [ 0.0011315500000000, 0.0008422500000000, -0.0000950600000000 ] - [ 0.0009637000000000, -0.0002382300000000, -0.0002012500000000 ] - [ -0.0025558500000000, 0.0006528700000000, -0.0000422700000000 ] - [ -0.0000455800000000, -0.0006937800000000, 0.0002761800000000 ] - [ -0.0007960200000000, -0.0004293700000000, 0.0002910300000000 ] - [ -0.0003216400000000, -0.0005294300000000, -0.0001288100000000 ] - [ 0.0018553400000000, -0.0006182800000000, -0.0005982900000000 ] - [ 0.0002882300000000, -0.0001286400000000, 0.0001282500000000 ] - [ -0.0003488900000000, 0.0002371600000000, 0.0003605000000000 ] - [ 0.0003438600000000, 0.0001012400000000, 0.0024331600000000 ] - [ -0.0032177300000000, -0.0004046000000000, 0.0003420100000000 ] - [ -0.0012726100000000, 0.0012521300000000, -0.0002633100000000 ] - [ 0.0596828400000000, -0.0524422700000000, -0.0400025100000000 ] - [ 0.0003420500000000, 0.0004003900000000, -0.0005400900000000 ] - [ -0.0003087200000000, 0.0003822300000000, 0.0012923200000000 ] - [ -0.0004775000000000, -0.0015754700000000, 0.0043527400000000 ] - [ 0.0068067100000000, 0.0013621700000000, 0.0046041300000000 ] - [ -0.0000011400000000, -0.0003589500000000, -0.0001037100000000 ] - [ -0.0011880700000000, -0.0000661100000000, -0.0037259200000000 ] - [ 0.0000176200000000, 0.0007620100000000, -0.0012025700000000 ] - [ -0.0012181200000000, 0.0002843800000000, 0.0003731200000000 ] - [ -0.0006727600000000, 0.0003611000000000, 0.0004895100000000 ] - [ 0.0010535000000000, 0.0008753600000000, -0.0044926400000000 ] - [ 0.0012105400000000, -0.0006131500000000, -0.0011616000000000 ] - [ 0.0075590200000000, 0.0010107800000000, -0.0111548700000000 ] - [ 0.0006556200000000, 0.0004559500000000, -0.0042160000000000 ] - [ -0.0035841400000000, -0.0001882900000000, 0.0071462100000000 ] - [ -0.0005058500000000, 0.0003552100000000, 0.0007881800000000 ] - [ -0.0044332700000000, -0.0010356400000000, 0.0034200600000000 ] - [ -0.0002617600000000, 0.0004962400000000, 0.0007950200000000 ] - [ -0.0021973900000000, 0.0033124400000000, 0.0006062200000000 ] - [ -0.0014005400000000, -0.0027156500000000, 0.0002847100000000 ] - [ -0.0009649000000000, -0.0021322300000000, 0.0031793100000000 ] - [ -0.0014257200000000, 0.0061341700000000, 0.0052848600000000 ] - [ 0.0077484000000000, 0.0044410200000000, -0.0078466100000000 ] - [ 0.0001689700000000, 0.0007219700000000, 0.0003622400000000 ] - [ 0.0131288600000000, -0.0040030600000000, 0.0102517500000000 ] - [ 0.0005371500000000, 0.0007730800000000, -0.0006755200000000 ] - [ -0.0052456000000000, -0.0000574600000000, 0.0036734100000000 ] - [ -0.0004908800000000, -0.0000574100000000, 0.0002925100000000 ] - [ -0.0014255900000000, -0.0004169700000000, 0.0003792300000000 ] - [ -0.0001604000000000, 0.0001493200000000, 0.0001172400000000 ] - [ 0.0005940500000000, -0.0000337400000000, -0.0002328500000000 ] - [ 0.0006942800000000, 0.0000704700000000, -0.0007361800000000 ] - [ 0.0007028100000000, 0.0018446300000000, 0.0001933800000000 ] - [ 0.0021233600000000, -0.0010639500000000, 0.0010848500000000 ] - [ -0.0005193500000000, -0.0019537100000000, -0.0053467600000000 ] - [ 0.0003486600000000, 0.0001975800000000, -0.0009058600000000 ] - [ 0.0002351300000000, -0.0007523100000000, 0.0012304500000000 ] - [ -0.0000282000000000, 0.0000678900000000, 0.0005803900000000 ] - [ -0.0004517800000000, -0.0005499000000000, 0.0001564100000000 ] - [ -0.0004911700000000, 0.0008624700000000, 0.0001443100000000 ] - [ -0.0003818100000000, 0.0006318200000000, 0.0004973000000000 ] - [ -0.0003613700000000, 0.0001263500000000, 0.0003229100000000 ]- atom: 81 displacement: [ 0.0099999779436379, 0.0000000000000000, 0.0000210030177685 ] forces: - [ -0.0008382500000000, -0.0051101300000000, -0.0073589600000000 ] - [ 0.0012165400000000, 0.0010237000000000, -0.0012213800000000 ] - [ 0.0001411300000000, -0.0008024300000000, 0.0021028600000000 ] - [ -0.0003869900000000, 0.0005103700000000, 0.0006786200000000 ] - [ -0.0101996600000000, -0.0018616400000000, -0.0012976800000000 ] - [ -0.0004679500000000, 0.0003525000000000, 0.0003507500000000 ] - [ -0.0087312400000000, -0.0010521700000000, 0.0017661900000000 ] - [ -0.0002247500000000, 0.0000298800000000, -0.0001550400000000 ] - [ -0.0022080600000000, 0.0007929300000000, -0.0006666700000000 ] - [ -0.0012616800000000, -0.0003581000000000, -0.0002932400000000 ] - [ 0.0001530400000000, 0.0050450200000000, 0.0054097100000000 ] - [ 0.0010797200000000, -0.0015554600000000, 0.0011940000000000 ] - [ 0.0018420000000000, 0.0022838300000000, 0.0023592000000000 ] - [ 0.0049029500000000, -0.0001015800000000, 0.0029857800000000 ] - [ -0.0011790800000000, -0.0002278800000000, -0.0010228800000000 ] - [ -0.0017988100000000, 0.0004063600000000, -0.0023058800000000 ] - [ 0.2452313100000000, -0.0529738100000000, 0.0194461200000000 ] - [ 0.0022673900000000, -0.0004634700000000, 0.0003849100000000 ] - [ 0.0051762500000000, -0.0016250200000000, 0.0014356200000000 ] - [ 0.0059629900000000, 0.0023386800000000, -0.0000175000000000 ] - [ -0.0031303100000000, 0.0000778700000000, -0.0022662500000000 ] - [ -0.0020130400000000, 0.0006848800000000, -0.0016185300000000 ] - [ -0.0031995100000000, -0.0010445200000000, -0.0028486500000000 ] - [ -0.0005041000000000, -0.0001558100000000, -0.0002528700000000 ] - [ -0.0039153700000000, 0.0039052100000000, -0.0033858800000000 ] - [ -0.0009476100000000, -0.0014694300000000, -0.0007290200000000 ] - [ -0.0007338000000000, 0.0015320800000000, -0.0034797100000000 ] - [ 0.0000905900000000, -0.0002414500000000, -0.0013413800000000 ] - [ 0.0012246800000000, -0.0022052000000000, -0.0010595200000000 ] - [ -0.0041762800000000, 0.0104526600000000, -0.0007784200000000 ] - [ 0.0495643100000000, -0.0171250100000000, 0.0440529800000000 ] - [ 0.0004496200000000, -0.0002330000000000, 0.0003993500000000 ] - [ -0.0017934700000000, 0.0004412900000000, -0.0035276300000000 ] - [ -0.0003172600000000, 0.0001932500000000, -0.0007593500000000 ] - [ 0.0059096700000000, 0.0006967100000000, -0.0041641800000000 ] - [ 0.0008459900000000, 0.0005779000000000, 0.0007450700000000 ] - [ -0.0024399700000000, -0.0064119700000000, 0.0024909200000000 ] - [ -0.0002470100000000, 0.0025670000000000, 0.0015689900000000 ] - [ -0.0024367000000000, -0.0017401600000000, -0.0003146000000000 ] - [ -0.0013006700000000, -0.0000482300000000, -0.0002439800000000 ] - [ -0.0027516500000000, -0.0016063600000000, 0.0030787700000000 ] - [ -0.0001647700000000, 0.0005693800000000, 0.0002918400000000 ] - [ 0.0028465200000000, -0.0011708000000000, -0.0014528400000000 ] - [ 0.0005760100000000, 0.0014395000000000, -0.0000013400000000 ] - [ -0.0012923400000000, 0.0012554100000000, 0.0008647100000000 ] - [ -0.0037986900000000, -0.0036438100000000, 0.0010173100000000 ] - [ -0.0005841000000000, 0.0019252600000000, -0.0014414700000000 ] - [ -0.0007275600000000, -0.0047815200000000, -0.0038756100000000 ] - [ 0.0536061300000000, -0.0370039200000000, -0.0358953600000000 ] - [ 0.0016113000000000, -0.0031932500000000, 0.0023810900000000 ] - [ -0.0018779400000000, 0.0009085800000000, -0.0029647800000000 ] - [ -0.0005129700000000, -0.0006664500000000, -0.0012089600000000 ] - [ -0.0013603300000000, 0.0000632200000000, -0.0021311100000000 ] - [ -0.0002823200000000, -0.0000164500000000, -0.0008125100000000 ] - [ 0.0017812900000000, -0.0013227800000000, 0.0074540600000000 ] - [ 0.0001920500000000, -0.0000495200000000, 0.0012209100000000 ] - [ -0.0016213100000000, 0.0004701700000000, 0.0001318700000000 ] - [ -0.0019688300000000, 0.0000534600000000, 0.0003265200000000 ] - [ -0.0050103200000000, -0.0001368400000000, -0.0010065000000000 ] - [ -0.0015225000000000, -0.0002285000000000, -0.0006064700000000 ] - [ 0.0009711900000000, -0.0011500200000000, 0.0050182700000000 ] - [ -0.0001099400000000, -0.0000253500000000, 0.0003114200000000 ] - [ 0.0009578500000000, -0.0002878900000000, 0.0026372800000000 ] - [ 0.0010091400000000, 0.0003239500000000, 0.0013215700000000 ] - [ -0.0009883600000000, 0.0013153200000000, 0.0047581600000000 ] - [ -0.0002676300000000, -0.0002765400000000, 0.0015109400000000 ] - [ 0.0012423500000000, 0.0012299000000000, 0.0003346600000000 ] - [ 0.0005901900000000, -0.0006823100000000, 0.0006727300000000 ] - [ -0.0034114000000000, 0.0018666800000000, -0.0011904300000000 ] - [ -0.0000812800000000, -0.0004553900000000, -0.0008729900000000 ] - [ -0.0013520500000000, -0.0006506200000000, 0.0004515500000000 ] - [ -0.0015299500000000, 0.0008628000000000, 0.0001213200000000 ] - [ 0.0010074400000000, 0.0001333000000000, 0.0009587900000000 ] - [ 0.0008733300000000, 0.0005529800000000, 0.0006909600000000 ] - [ -0.0006982400000000, 0.0006772400000000, -0.0006353900000000 ] - [ -0.0008474600000000, -0.0000562500000000, 0.0000981900000000 ] - [ -0.0052104000000000, -0.0009466600000000, -0.0016532300000000 ] - [ -0.0003940600000000, -0.0000409500000000, -0.0000513100000000 ] - [ 0.0950284500000000, 0.0754628600000000, -0.0093626500000000 ] - [ 0.0003709500000000, 0.0009471500000000, -0.0003843300000000 ] - [ -0.4867404700000000, 0.0283270200000000, -0.0305024100000000 ] - [ -0.0026606700000000, 0.0004587100000000, 0.0010103700000000 ] - [ -0.0021179700000000, 0.0063539400000000, -0.0017759700000000 ] - [ -0.0021145000000000, -0.0112115500000000, -0.0054363800000000 ] - [ 0.0029634700000000, -0.0001859500000000, 0.0026781500000000 ] - [ 0.0018593800000000, 0.0005229600000000, 0.0006172800000000 ] - [ 0.0044933600000000, -0.0000498500000000, 0.0049221600000000 ] - [ 0.0010536400000000, 0.0007626100000000, 0.0018036800000000 ] - [ 0.0026963900000000, 0.0008198500000000, 0.0008369600000000 ] - [ 0.0026971400000000, -0.0010133400000000, 0.0009189500000000 ] - [ 0.0064031700000000, -0.0019211600000000, 0.0029417500000000 ] - [ 0.0013896700000000, -0.0000298200000000, 0.0002589900000000 ] - [ -0.0071490000000000, -0.0018757300000000, -0.0046880500000000 ] - [ -0.0003550800000000, -0.0000440700000000, -0.0020881000000000 ] - [ -0.0010225300000000, 0.0019759500000000, -0.0057266800000000 ] - [ -0.0009088800000000, 0.0002794400000000, -0.0012196700000000 ] - [ -0.0112188300000000, 0.0058999800000000, -0.0018186100000000 ] - [ -0.0020062900000000, -0.0002484400000000, -0.0013377100000000 ] - [ 0.0029509200000000, 0.0012902200000000, 0.0046421700000000 ] - [ 0.0009007000000000, -0.0006079300000000, 0.0017275700000000 ] - [ 0.0076446200000000, -0.0007753600000000, 0.0009777100000000 ] - [ 0.0015155900000000, -0.0001187100000000, 0.0002557600000000 ] - [ 0.0324819300000000, 0.0009482100000000, -0.0212338000000000 ] - [ -0.0009138300000000, -0.0002800800000000, -0.0006480900000000 ] - [ 0.0024202600000000, 0.0023322400000000, -0.0032608600000000 ] - [ 0.0013930500000000, -0.0015047100000000, -0.0015960300000000 ] - [ 0.0045004600000000, 0.0057003400000000, 0.0032676500000000 ] - [ 0.0021661200000000, -0.0042917900000000, 0.0023063800000000 ] - [ 0.0023924800000000, -0.0009756800000000, 0.0009515100000000 ] - [ 0.0003232000000000, 0.0003468700000000, 0.0002891000000000 ] - [ 0.0187005600000000, -0.0114425000000000, 0.0262132200000000 ] - [ -0.0011390300000000, 0.0008895600000000, 0.0001509600000000 ] - [ 0.0025792200000000, -0.0002370100000000, 0.0019179500000000 ] - [ 0.0009812800000000, -0.0003289800000000, 0.0008747500000000 ] - [ -0.0031145400000000, -0.0016007900000000, -0.0070060300000000 ] - [ -0.0010807900000000, 0.0000004200000000, -0.0016312100000000 ] - [ -0.0039998400000000, -0.0132350800000000, 0.0008434000000000 ] - [ -0.0083717800000000, 0.0164282200000000, -0.0032539500000000 ] - [ 0.0026426500000000, -0.0014977100000000, 0.0014306600000000 ] - [ 0.0043285600000000, 0.0029528300000000, 0.0021915400000000 ] - [ 0.0079024300000000, 0.0082805900000000, 0.0264408800000000 ] - [ 0.0001467500000000, -0.0006556700000000, 0.0004319900000000 ] - [ 0.0222434800000000, 0.0058285700000000, -0.0143235700000000 ] - [ 0.0002786400000000, -0.0005360200000000, -0.0003099900000000 ] - [ -0.0038062200000000, -0.0059545400000000, 0.0031247200000000 ] - [ -0.0031178000000000, 0.0013131800000000, 0.0012201400000000 ] - [ 0.0019142300000000, -0.0017376100000000, -0.0019863900000000 ] - [ 0.0019703900000000, 0.0018777400000000, -0.0017703500000000 ]- atom: 81 displacement: [ -0.0099999779436379, 0.0000000000000000, -0.0000210030177685 ] forces: - [ 0.0012261600000000, 0.0055243900000000, 0.0067092600000000 ] - [ -0.0008238000000000, -0.0006117200000000, 0.0005838400000000 ] - [ -0.0005163800000000, 0.0012230800000000, -0.0014608700000000 ] - [ 0.0000000000000000, -0.0000847600000000, -0.0000508500000000 ] - [ 0.0098376900000000, 0.0014592700000000, 0.0019432000000000 ] - [ 0.0000724600000000, -0.0007784300000000, 0.0002828000000000 ] - [ 0.0091245400000000, 0.0006248000000000, -0.0023895500000000 ] - [ 0.0006129200000000, -0.0004537100000000, -0.0004736000000000 ] - [ 0.0014351700000000, -0.0008517900000000, 0.0012206700000000 ] - [ 0.0004910300000000, 0.0002873200000000, 0.0008563700000000 ] - [ 0.0006138000000000, -0.0051082600000000, -0.0059800500000000 ] - [ -0.0003046300000000, 0.0014810600000000, -0.0017561000000000 ] - [ -0.0010593100000000, -0.0022001900000000, -0.0029192300000000 ] - [ -0.0041314200000000, 0.0001663500000000, -0.0035527000000000 ] - [ 0.0004027200000000, 0.0002881700000000, 0.0015905500000000 ] - [ 0.0010286300000000, -0.0003361000000000, 0.0028830400000000 ] - [ -0.2282921200000000, 0.0485120900000000, -0.0168664400000000 ] - [ -0.0013984200000000, 0.0004643400000000, 0.0004870900000000 ] - [ -0.0060029700000000, 0.0016170800000000, -0.0023000800000000 ] - [ -0.0068127400000000, -0.0023378000000000, -0.0008532800000000 ] - [ 0.0022584400000000, -0.0000779200000000, 0.0013962700000000 ] - [ 0.0011469900000000, -0.0006894400000000, 0.0007487200000000 ] - [ 0.0040543500000000, 0.0010471700000000, 0.0037182400000000 ] - [ 0.0013661400000000, 0.0001572100000000, 0.0011192600000000 ] - [ 0.0029334900000000, -0.0041171900000000, 0.0045315900000000 ] - [ -0.0000338600000000, 0.0012527000000000, 0.0018836200000000 ] - [ 0.0017034100000000, -0.0017461500000000, 0.0023221600000000 ] - [ 0.0008898400000000, 0.0000193700000000, 0.0001880700000000 ] - [ -0.0002469100000000, 0.0024136000000000, -0.0001011000000000 ] - [ 0.0051493000000000, -0.0102558500000000, -0.0003685800000000 ] - [ -0.0499231000000000, 0.0172856200000000, -0.0427935200000000 ] - [ -0.0014293000000000, 0.0004531100000000, 0.0007464400000000 ] - [ 0.0015277700000000, 0.0002733600000000, 0.0030777000000000 ] - [ 0.0000569800000000, 0.0005015300000000, 0.0002912100000000 ] - [ -0.0056228900000000, 0.0000038900000000, 0.0046421800000000 ] - [ -0.0005686100000000, 0.0001368900000000, -0.0002806900000000 ] - [ 0.0026944400000000, 0.0056988800000000, -0.0020149900000000 ] - [ 0.0005128400000000, -0.0032717900000000, -0.0011096300000000 ] - [ 0.0021693400000000, 0.0010338300000000, -0.0001487800000000 ] - [ 0.0010381400000000, -0.0006511500000000, -0.0002244700000000 ] - [ 0.0031675800000000, 0.0020430500000000, -0.0037301700000000 ] - [ 0.0005537500000000, -0.0001481800000000, -0.0009160400000000 ] - [ -0.0032357600000000, 0.0016070000000000, 0.0020837200000000 ] - [ -0.0009651900000000, -0.0010000400000000, 0.0006224700000000 ] - [ 0.0008944900000000, -0.0016956200000000, -0.0002357100000000 ] - [ 0.0033772400000000, 0.0032086900000000, -0.0003827700000000 ] - [ 0.0009565900000000, -0.0023524600000000, 0.0008042000000000 ] - [ 0.0011065600000000, 0.0043356900000000, 0.0032418700000000 ] - [ -0.0537579900000000, 0.0368797000000000, 0.0364800100000000 ] - [ -0.0023857000000000, 0.0031212700000000, -0.0018049100000000 ] - [ 0.0026539700000000, -0.0009732900000000, 0.0024110900000000 ] - [ 0.0012923300000000, 0.0006104100000000, 0.0006419100000000 ] - [ 0.0021428700000000, 0.0000074400000000, 0.0015535600000000 ] - [ 0.0010577900000000, 0.0000661000000000, 0.0002393200000000 ] - [ -0.0025627800000000, 0.0013870500000000, -0.0068770200000000 ] - [ -0.0009676300000000, 0.0001067900000000, -0.0006488700000000 ] - [ 0.0024790300000000, -0.0004736900000000, 0.0007327400000000 ] - [ 0.0028324700000000, -0.0000443000000000, 0.0005392900000000 ] - [ 0.0041707600000000, 0.0001457200000000, 0.0001430400000000 ] - [ 0.0006582500000000, 0.0002267600000000, -0.0002589500000000 ] - [ -0.0018419700000000, 0.0011525700000000, -0.0058923300000000 ] - [ -0.0007568700000000, 0.0000215400000000, -0.0011755500000000 ] - [ -0.0001074800000000, 0.0002824100000000, -0.0017649500000000 ] - [ -0.0001436100000000, -0.0003287300000000, -0.0004486200000000 ] - [ 0.0000080500000000, -0.0015360800000000, -0.0036159900000000 ] - [ -0.0007198100000000, 0.0000557100000000, -0.0003591500000000 ] - [ -0.0002646600000000, -0.0014372400000000, -0.0014864200000000 ] - [ 0.0003868800000000, 0.0004591100000000, -0.0018143500000000 ] - [ 0.0044233100000000, -0.0016581700000000, 0.0000295800000000 ] - [ 0.0010577100000000, 0.0006762100000000, -0.0002756700000000 ] - [ 0.0003744500000000, 0.0008626800000000, 0.0007104800000000 ] - [ 0.0005590900000000, -0.0006394500000000, 0.0010462800000000 ] - [ -0.0012685200000000, 0.0005636900000000, -0.0014304100000000 ] - [ -0.0011436200000000, 0.0001549600000000, -0.0011579300000000 ] - [ 0.0009672100000000, 0.0000274800000000, 0.0010936200000000 ] - [ 0.0011203100000000, 0.0007621500000000, 0.0003677900000000 ] - [ 0.0054824800000000, 0.0002680600000000, 0.0021367800000000 ] - [ 0.0006643500000000, -0.0006785100000000, 0.0005131800000000 ] - [ -0.0973594000000000, -0.0803435700000000, 0.0093349100000000 ] - [ -0.0006356800000000, -0.0016452300000000, -0.0000833200000000 ] - [ 0.4711342300000000, -0.0198601200000000, 0.0289063100000000 ] - [ 0.0025387100000000, -0.0010666100000000, -0.0004206800000000 ] - [ 0.0022376900000000, -0.0069452100000000, 0.0011903000000000 ] - [ 0.0022268600000000, 0.0105943200000000, 0.0048588000000000 ] - [ -0.0028449500000000, 0.0008022100000000, -0.0032608800000000 ] - [ -0.0017416300000000, 0.0000896200000000, -0.0012011300000000 ] - [ -0.0046156000000000, 0.0006682400000000, -0.0043435000000000 ] - [ -0.0011716200000000, -0.0001464200000000, -0.0012202900000000 ] - [ -0.0028210100000000, -0.0014318900000000, -0.0002516900000000 ] - [ -0.0028204500000000, 0.0003995900000000, -0.0003336000000000 ] - [ -0.0063120400000000, 0.0013074500000000, -0.0035568900000000 ] - [ -0.0012703800000000, -0.0005834800000000, -0.0008435500000000 ] - [ 0.0072806800000000, 0.0025057900000000, 0.0040739900000000 ] - [ 0.0004804200000000, 0.0006522000000000, 0.0014925600000000 ] - [ 0.0009140700000000, -0.0013473600000000, 0.0063170100000000 ] - [ 0.0007937400000000, 0.0003334200000000, 0.0018064900000000 ] - [ 0.0108936000000000, -0.0060021500000000, 0.0018590800000000 ] - [ 0.0017155600000000, 0.0001490200000000, 0.0014042900000000 ] - [ -0.0026669000000000, -0.0013833300000000, -0.0047175300000000 ] - [ -0.0006077100000000, 0.0005258600000000, -0.0017994400000000 ] - [ -0.0073705700000000, 0.0008715800000000, -0.0010466000000000 ] - [ -0.0012243800000000, 0.0002088500000000, -0.0003283600000000 ] - [ -0.0326113700000000, -0.0008961600000000, 0.0212829900000000 ] - [ 0.0006211400000000, 0.0003707000000000, 0.0007216500000000 ] - [ -0.0022533100000000, -0.0025832600000000, 0.0022754500000000 ] - [ -0.0012307700000000, 0.0012491000000000, 0.0006132100000000 ] - [ -0.0046476500000000, -0.0059567900000000, -0.0022910200000000 ] - [ -0.0023284300000000, 0.0040387700000000, -0.0013237000000000 ] - [ -0.0025531000000000, 0.0012297900000000, 0.0000187100000000 ] - [ -0.0004913600000000, -0.0000950400000000, 0.0006929000000000 ] - [ -0.0184608700000000, 0.0116514600000000, -0.0271792500000000 ] - [ 0.0012856400000000, -0.0006286600000000, -0.0011334100000000 ] - [ -0.0028742900000000, 0.0001506300000000, -0.0018386100000000 ] - [ -0.0012713100000000, 0.0002357300000000, -0.0007945900000000 ] - [ 0.0033989600000000, 0.0015139600000000, 0.0069415300000000 ] - [ 0.0013653300000000, -0.0000914400000000, 0.0015622600000000 ] - [ 0.0043562400000000, 0.0132724200000000, -0.0009166700000000 ] - [ 0.0086622700000000, -0.0163237100000000, 0.0031705800000000 ] - [ -0.0029241000000000, 0.0016054500000000, -0.0013707300000000 ] - [ -0.0046134800000000, -0.0028813500000000, -0.0021219200000000 ] - [ -0.0076793600000000, -0.0086140000000000, -0.0275905600000000 ] - [ 0.0000147400000000, 0.0003973100000000, -0.0014196300000000 ] - [ -0.0225539000000000, -0.0062145000000000, 0.0154455500000000 ] - [ -0.0004387300000000, 0.0002889000000000, 0.0012939600000000 ] - [ 0.0036353000000000, 0.0061896800000000, -0.0021442200000000 ] - [ 0.0029503500000000, -0.0010581300000000, -0.0002251400000000 ] - [ -0.0017558100000000, 0.0020066500000000, 0.0010223200000000 ] - [ -0.0018014000000000, -0.0016296400000000, 0.0007791100000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0043039500000000, 0.0033314900000000, 0.0005324800000000 ] - [ 0.0006906500000000, -0.0013974700000000, -0.0002356300000000 ] - [ -0.0022677500000000, 0.0025987500000000, -0.0037542300000000 ] - [ 0.0001064500000000, -0.0010161800000000, 0.0007208000000000 ] - [ 0.0029452400000000, 0.0017399300000000, 0.0011106500000000 ] - [ -0.0005215000000000, -0.0016733100000000, 0.0002712800000000 ] - [ 0.0020807400000000, 0.0017408200000000, -0.0010776700000000 ] - [ 0.0002159700000000, -0.0015133600000000, -0.0003722100000000 ] - [ -0.0006697600000000, 0.0004548900000000, 0.0000326400000000 ] - [ -0.0001383400000000, -0.0006577500000000, 0.0005204300000000 ] - [ 0.0019465800000000, 0.0004264600000000, -0.0012937000000000 ] - [ -0.0019162700000000, -0.0025093000000000, 0.0004555200000000 ] - [ -0.0005433800000000, -0.0057426600000000, -0.0051717500000000 ] - [ 0.0023718900000000, -0.0038960000000000, 0.0064477900000000 ] - [ -0.0000325000000000, -0.0003043300000000, 0.0008795900000000 ] - [ -0.0010102700000000, -0.0000406500000000, -0.0007056000000000 ] - [ -0.0493485400000000, 0.0469241300000000, -0.0051630600000000 ] - [ 0.0006652800000000, -0.0021144700000000, 0.0003975500000000 ] - [ -0.0064582800000000, -0.0064728800000000, 0.0043089100000000 ] - [ 0.0031056700000000, -0.0041062700000000, -0.0034324200000000 ] - [ -0.0003595700000000, 0.0003552200000000, 0.0001255700000000 ] - [ -0.0002947300000000, -0.0006605900000000, -0.0003761800000000 ] - [ 0.0000231600000000, 0.0005807500000000, 0.0004958200000000 ] - [ 0.0007401100000000, -0.0008240300000000, 0.0007124100000000 ] - [ 0.0001178900000000, -0.0004953300000000, 0.0012426100000000 ] - [ -0.0006902700000000, -0.0007014400000000, 0.0003724700000000 ] - [ 0.0028685300000000, 0.0025123800000000, 0.0027258700000000 ] - [ 0.0001640200000000, -0.0023903700000000, -0.0005833800000000 ] - [ -0.0018199500000000, -0.0012491900000000, -0.0017627000000000 ] - [ 0.0026554100000000, 0.0000250900000000, -0.0000798100000000 ] - [ -0.0169093300000000, 0.0694792300000000, -0.0649753500000000 ] - [ -0.0011261500000000, -0.0037030200000000, 0.0007739700000000 ] - [ -0.0004104400000000, 0.0021931800000000, -0.0000437900000000 ] - [ 0.0000438100000000, -0.0010045200000000, -0.0003361600000000 ] - [ -0.0003547200000000, 0.0076323700000000, 0.0019290100000000 ] - [ -0.0004636800000000, -0.0033741300000000, -0.0002033900000000 ] - [ -0.0020327500000000, 0.0024588800000000, -0.0002806900000000 ] - [ 0.0017002900000000, -0.0024707100000000, 0.0001106200000000 ] - [ -0.0001924500000000, 0.0006853800000000, -0.0002991300000000 ] - [ -0.0002317900000000, -0.0011949600000000, -0.0002363400000000 ] - [ -0.0034547200000000, -0.0013469300000000, 0.0025262500000000 ] - [ 0.0008826000000000, -0.0008311600000000, -0.0004763800000000 ] - [ -0.0008727400000000, 0.0020314700000000, -0.0012121900000000 ] - [ 0.0002760700000000, -0.0020894300000000, 0.0016523900000000 ] - [ 0.0061601800000000, -0.0030097500000000, -0.0004237600000000 ] - [ -0.0067946900000000, -0.0044826900000000, 0.0016221400000000 ] - [ 0.0036213700000000, -0.0033897000000000, 0.0028519100000000 ] - [ -0.0026459900000000, -0.0035165100000000, -0.0062014300000000 ] - [ -0.0422601100000000, 0.1267383700000000, 0.0960098300000000 ] - [ 0.0006149500000000, -0.0063275600000000, 0.0011514900000000 ] - [ 0.0011766800000000, 0.0024449800000000, -0.0009911400000000 ] - [ -0.0000611100000000, -0.0020114800000000, -0.0003109000000000 ] - [ 0.0003303000000000, 0.0017973300000000, 0.0008895000000000 ] - [ 0.0004616000000000, -0.0013484500000000, -0.0004551400000000 ] - [ -0.0017035000000000, 0.0035584100000000, -0.0003944000000000 ] - [ -0.0004594700000000, -0.0021149500000000, 0.0004451600000000 ] - [ 0.0015655200000000, 0.0003046800000000, 0.0004062800000000 ] - [ -0.0010715400000000, -0.0004215500000000, 0.0005187800000000 ] - [ -0.0009595300000000, 0.0013539100000000, -0.0005442400000000 ] - [ -0.0006031900000000, -0.0008652300000000, -0.0006130500000000 ] - [ -0.0015387900000000, 0.0014554500000000, 0.0042705300000000 ] - [ 0.0005798600000000, -0.0017998600000000, -0.0009604200000000 ] - [ 0.0018935300000000, 0.0005402600000000, -0.0024086800000000 ] - [ 0.0002163100000000, -0.0010412700000000, 0.0008641800000000 ] - [ 0.0021312700000000, 0.0040483700000000, 0.0006092300000000 ] - [ -0.0002721500000000, -0.0024614100000000, 0.0004523500000000 ] - [ 0.0014785500000000, 0.0005526800000000, 0.0011137900000000 ] - [ -0.0000358700000000, -0.0014949500000000, -0.0022285500000000 ] - [ 0.0003256500000000, 0.0046656000000000, -0.0005571400000000 ] - [ 0.0005923700000000, -0.0023591700000000, -0.0008696200000000 ] - [ -0.0006297000000000, -0.0004387500000000, 0.0003166300000000 ] - [ -0.0005483200000000, 0.0003761900000000, 0.0005119000000000 ] - [ -0.0007246600000000, 0.0005682600000000, 0.0009082600000000 ] - [ 0.0004653200000000, -0.0006858200000000, -0.0006797000000000 ] - [ 0.0007952600000000, 0.0003605800000000, 0.0011319400000000 ] - [ -0.0008565500000000, -0.0003893900000000, 0.0002634200000000 ] - [ -0.0054553200000000, 0.0018232100000000, -0.0028622700000000 ] - [ 0.0012116400000000, -0.0024648400000000, 0.0003764000000000 ] - [ 0.0750141100000000, 0.1430199300000000, -0.0118855300000000 ] - [ -0.0001467400000000, -0.0076931200000000, -0.0001465700000000 ] - [ 0.0287731300000000, -0.4181647600000000, -0.0277423900000000 ] - [ 0.0006963800000000, 0.0064366600000000, 0.0010627800000000 ] - [ 0.0110384400000000, 0.0020215100000000, -0.0000185500000000 ] - [ -0.0065604800000000, 0.0020229500000000, 0.0003855300000000 ] - [ -0.0004261000000000, -0.0009484300000000, -0.0024516600000000 ] - [ 0.0002811900000000, 0.0021338700000000, 0.0000987600000000 ] - [ 0.0002949400000000, -0.0011826500000000, 0.0002955300000000 ] - [ -0.0005222000000000, 0.0016056400000000, 0.0002349100000000 ] - [ -0.0007710500000000, -0.0002377100000000, 0.0004044500000000 ] - [ 0.0010618600000000, -0.0002291000000000, 0.0004318100000000 ] - [ 0.0016844600000000, -0.0060951200000000, -0.0000067400000000 ] - [ -0.0002124800000000, 0.0024935600000000, -0.0002545300000000 ] - [ -0.0021126600000000, -0.0029145500000000, -0.0091638200000000 ] - [ -0.0002921100000000, 0.0055998300000000, 0.0032505000000000 ] - [ -0.0017214800000000, -0.0024291900000000, 0.0013731100000000 ] - [ -0.0000380700000000, 0.0030182500000000, 0.0000449300000000 ] - [ 0.0126835300000000, -0.0035598100000000, 0.0226898100000000 ] - [ -0.0015714100000000, 0.0048717000000000, -0.0021432500000000 ] - [ 0.0011586900000000, -0.0015467600000000, 0.0005717500000000 ] - [ 0.0003480900000000, 0.0016840600000000, 0.0000191000000000 ] - [ -0.0005431000000000, -0.0017345100000000, -0.0001681600000000 ] - [ 0.0001587400000000, 0.0017501000000000, 0.0000040400000000 ] - [ -0.0054680700000000, -0.0060712400000000, 0.0048082100000000 ] - [ 0.0002690700000000, 0.0038608900000000, 0.0002641000000000 ] - [ 0.0008130100000000, -0.0011289800000000, 0.0015446200000000 ] - [ -0.0006476900000000, 0.0014483800000000, -0.0007959300000000 ] - [ 0.0019441600000000, -0.0021516700000000, -0.0000173900000000 ] - [ -0.0011437900000000, 0.0019790400000000, -0.0000284800000000 ] - [ -0.0006641200000000, -0.0026882500000000, 0.0005478300000000 ] - [ 0.0004519100000000, 0.0024222700000000, 0.0010567700000000 ] - [ -0.0063951300000000, -0.0021922800000000, -0.0076401000000000 ] - [ 0.0009026100000000, 0.0035460400000000, -0.0000250100000000 ] - [ 0.0018366500000000, -0.0023440900000000, 0.0001490600000000 ] - [ -0.0011170000000000, 0.0018441300000000, -0.0008973400000000 ] - [ 0.0006005700000000, -0.0032028800000000, -0.0004668200000000 ] - [ 0.0003345100000000, 0.0028419100000000, -0.0008016000000000 ] - [ -0.0130172200000000, 0.0399305300000000, -0.0017676200000000 ] - [ 0.0020181900000000, 0.0319473800000000, -0.0027137900000000 ] - [ -0.0046104900000000, -0.0000548800000000, -0.0013427700000000 ] - [ 0.0042540600000000, 0.0028776400000000, 0.0022228600000000 ] - [ 0.0048889100000000, -0.0150578800000000, 0.0209856300000000 ] - [ -0.0002454300000000, 0.0048763600000000, -0.0015215200000000 ] - [ 0.0165680700000000, -0.0105827100000000, -0.0123892300000000 ] - [ -0.0014347800000000, 0.0048055300000000, 0.0011217500000000 ] - [ -0.0016030100000000, 0.0060769700000000, -0.0118944500000000 ] - [ -0.0001770400000000, 0.0038752200000000, 0.0043141000000000 ] - [ -0.0030913800000000, -0.0015842200000000, -0.0002177900000000 ] - [ 0.0022812800000000, 0.0034494900000000, -0.0018670400000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0047047100000000, -0.0029060800000000, -0.0011579800000000 ] - [ -0.0003065700000000, 0.0017997600000000, -0.0004021000000000 ] - [ 0.0018877700000000, -0.0021857000000000, 0.0043837400000000 ] - [ -0.0004966600000000, 0.0014313800000000, -0.0001045600000000 ] - [ -0.0033026500000000, -0.0021432300000000, -0.0004707900000000 ] - [ 0.0001189300000000, 0.0012540600000000, 0.0003566000000000 ] - [ -0.0016588900000000, -0.0021571100000000, 0.0004503200000000 ] - [ 0.0001642600000000, 0.0010957400000000, -0.0002538800000000 ] - [ -0.0001100100000000, -0.0005219500000000, 0.0005177000000000 ] - [ -0.0006410100000000, 0.0005898700000000, 0.0000396500000000 ] - [ -0.0011739600000000, -0.0005187200000000, 0.0007370500000000 ] - [ 0.0026683400000000, 0.0024234900000000, -0.0010034900000000 ] - [ 0.0013352300000000, 0.0058122300000000, 0.0045765600000000 ] - [ -0.0015887300000000, 0.0039795700000000, -0.0070498600000000 ] - [ -0.0007482400000000, 0.0003770700000000, -0.0003202100000000 ] - [ 0.0002302600000000, 0.0001041600000000, 0.0012730600000000 ] - [ 0.0498379200000000, -0.0463071200000000, 0.0060446400000000 ] - [ 0.0001838100000000, 0.0021164700000000, 0.0004709900000000 ] - [ 0.0055444000000000, 0.0063867400000000, -0.0050940500000000 ] - [ -0.0039656000000000, 0.0041420800000000, 0.0025860900000000 ] - [ -0.0004930500000000, -0.0003519000000000, -0.0009977900000000 ] - [ -0.0005578400000000, 0.0006509200000000, -0.0004961600000000 ] - [ 0.0008193900000000, -0.0005874200000000, 0.0003688700000000 ] - [ 0.0001137200000000, 0.0008239900000000, 0.0001563200000000 ] - [ -0.0011022900000000, 0.0002723200000000, -0.0000845800000000 ] - [ -0.0002990800000000, 0.0004991600000000, 0.0007894900000000 ] - [ -0.0018916300000000, -0.0027068500000000, -0.0039185400000000 ] - [ 0.0008253700000000, 0.0021722200000000, -0.0005753100000000 ] - [ 0.0027799300000000, 0.0014574600000000, 0.0005789700000000 ] - [ -0.0016916500000000, 0.0001772400000000, -0.0010879900000000 ] - [ 0.0155322400000000, -0.0696778500000000, 0.0651533200000000 ] - [ 0.0001463100000000, 0.0039171600000000, 0.0003910600000000 ] - [ 0.0001569600000000, -0.0014956400000000, -0.0004165400000000 ] - [ -0.0002981600000000, 0.0016982100000000, -0.0001333900000000 ] - [ 0.0006026800000000, -0.0069560300000000, -0.0014507500000000 ] - [ 0.0007254900000000, 0.0040829400000000, 0.0006655000000000 ] - [ 0.0022638800000000, -0.0031285400000000, 0.0007523500000000 ] - [ -0.0014579000000000, 0.0017677400000000, 0.0003547000000000 ] - [ -0.0000597000000000, -0.0013746300000000, -0.0001679900000000 ] - [ -0.0000267200000000, 0.0004942400000000, -0.0002324000000000 ] - [ 0.0038538300000000, 0.0017603900000000, -0.0031535400000000 ] - [ -0.0004899300000000, 0.0012524900000000, -0.0001407900000000 ] - [ 0.0004977400000000, -0.0016193000000000, 0.0018531700000000 ] - [ -0.0006587400000000, 0.0025145400000000, -0.0010190900000000 ] - [ -0.0065206400000000, 0.0026008300000000, 0.0010393900000000 ] - [ 0.0063776600000000, 0.0040100200000000, -0.0009854500000000 ] - [ -0.0032109000000000, 0.0029739400000000, -0.0034651000000000 ] - [ 0.0030555100000000, 0.0030691500000000, 0.0055833400000000 ] - [ 0.0393494300000000, -0.1232108900000000, -0.0900796400000000 ] - [ -0.0013992200000000, 0.0062684900000000, -0.0005872000000000 ] - [ -0.0004038800000000, -0.0024969200000000, 0.0004284100000000 ] - [ 0.0008460400000000, 0.0019448000000000, -0.0002522000000000 ] - [ 0.0004554800000000, -0.0017253000000000, -0.0014624900000000 ] - [ 0.0003210700000000, 0.0014023700000000, -0.0001121800000000 ] - [ 0.0009248000000000, -0.0034889600000000, 0.0009458700000000 ] - [ -0.0003216600000000, 0.0021748100000000, 0.0001250000000000 ] - [ -0.0007180700000000, -0.0002967600000000, 0.0004565600000000 ] - [ 0.0019234600000000, 0.0004254500000000, 0.0003472000000000 ] - [ 0.0001119200000000, -0.0013491000000000, -0.0003273700000000 ] - [ -0.0002466200000000, 0.0008674900000000, -0.0002538100000000 ] - [ 0.0007015700000000, -0.0014748800000000, -0.0051375700000000 ] - [ -0.0014329300000000, 0.0017969900000000, 0.0000960000000000 ] - [ -0.0010484500000000, -0.0005358100000000, 0.0032903800000000 ] - [ 0.0006328800000000, 0.0010327400000000, 0.0000056100000000 ] - [ -0.0031296500000000, -0.0042502200000000, 0.0005647200000000 ] - [ -0.0007157400000000, 0.0022424400000000, 0.0007129200000000 ] - [ -0.0004948100000000, -0.0007708900000000, -0.0022823400000000 ] - [ 0.0010177200000000, 0.0012861700000000, 0.0010658700000000 ] - [ 0.0006468000000000, -0.0044468200000000, -0.0006082800000000 ] - [ 0.0003910400000000, 0.0025673300000000, -0.0002934700000000 ] - [ -0.0003563400000000, 0.0006531900000000, 0.0008518400000000 ] - [ -0.0004339500000000, -0.0001682600000000, 0.0006625600000000 ] - [ 0.0004662100000000, 0.0001443000000000, -0.0013652900000000 ] - [ -0.0007196100000000, 0.0013743700000000, 0.0002181100000000 ] - [ -0.0005373700000000, 0.0003470000000000, -0.0006641000000000 ] - [ 0.0011119500000000, 0.0010785100000000, 0.0002095400000000 ] - [ 0.0056947600000000, -0.0025218800000000, 0.0033304000000000 ] - [ -0.0009504800000000, 0.0017622800000000, 0.0000874300000000 ] - [ -0.0815239900000000, -0.1505701800000000, 0.0122859100000000 ] - [ -0.0000991800000000, 0.0069756700000000, -0.0003244400000000 ] - [ -0.0193954100000000, 0.4203041200000000, 0.0229971900000000 ] - [ -0.0008240400000000, -0.0070390600000000, -0.0004794000000000 ] - [ -0.0107686300000000, -0.0026244100000000, -0.0005479900000000 ] - [ 0.0067397600000000, -0.0026226900000000, -0.0009815400000000 ] - [ 0.0005524500000000, 0.0015478500000000, 0.0018730600000000 ] - [ -0.0001513400000000, -0.0015146600000000, -0.0006857700000000 ] - [ -0.0004220600000000, 0.0018033800000000, 0.0002851200000000 ] - [ 0.0003880300000000, -0.0009976800000000, 0.0003480100000000 ] - [ 0.0006436700000000, -0.0003819200000000, 0.0001791200000000 ] - [ -0.0011876100000000, -0.0003731200000000, 0.0001526900000000 ] - [ -0.0015437700000000, 0.0054806800000000, -0.0005724200000000 ] - [ 0.0003402400000000, -0.0031010400000000, -0.0003268400000000 ] - [ 0.0022303600000000, 0.0035708700000000, 0.0086135800000000 ] - [ 0.0004180500000000, -0.0049912000000000, -0.0038234300000000 ] - [ 0.0016064000000000, 0.0030177900000000, -0.0007996300000000 ] - [ -0.0000920700000000, -0.0023986900000000, 0.0005330100000000 ] - [ -0.0129939500000000, 0.0034421700000000, -0.0226122300000000 ] - [ 0.0012872300000000, -0.0049703000000000, 0.0022251900000000 ] - [ -0.0008735400000000, 0.0014524600000000, -0.0006436100000000 ] - [ -0.0000531800000000, -0.0017550400000000, -0.0000823200000000 ] - [ 0.0008228500000000, 0.0018243600000000, 0.0000979100000000 ] - [ 0.0001362100000000, -0.0016676200000000, -0.0000720500000000 ] - [ 0.0051280200000000, 0.0061601400000000, -0.0047282500000000 ] - [ -0.0005463900000000, -0.0037682000000000, -0.0001927700000000 ] - [ -0.0006352700000000, 0.0008623200000000, -0.0025311600000000 ] - [ 0.0008269700000000, -0.0016904500000000, -0.0001827200000000 ] - [ -0.0021107500000000, 0.0018700100000000, 0.0010003100000000 ] - [ 0.0009807400000000, -0.0022201600000000, 0.0010172800000000 ] - [ 0.0004968300000000, 0.0029490500000000, 0.0004359400000000 ] - [ -0.0006255600000000, -0.0021763800000000, -0.0000735900000000 ] - [ 0.0065546000000000, 0.0025055400000000, 0.0066460900000000 ] - [ -0.0007336900000000, -0.0032895200000000, -0.0009475100000000 ] - [ -0.0021227700000000, 0.0022730200000000, -0.0000784300000000 ] - [ 0.0008261800000000, -0.0019357100000000, 0.0009653100000000 ] - [ -0.0003171400000000, 0.0031480600000000, 0.0003962200000000 ] - [ -0.0000480300000000, -0.0029270600000000, 0.0007132800000000 ] - [ 0.0130756100000000, -0.0394429800000000, 0.0018102300000000 ] - [ -0.0018668000000000, -0.0319750600000000, 0.0026577000000000 ] - [ 0.0043101500000000, 0.0001202700000000, 0.0014060800000000 ] - [ -0.0045434400000000, -0.0027798600000000, -0.0021441200000000 ] - [ -0.0047335700000000, 0.0149310200000000, -0.0219949500000000 ] - [ 0.0004022700000000, -0.0051213700000000, 0.0005260600000000 ] - [ -0.0167063600000000, 0.0103515200000000, 0.0133364900000000 ] - [ 0.0012527800000000, -0.0050509500000000, -0.0001372100000000 ] - [ 0.0013842000000000, -0.0059009500000000, 0.0127842500000000 ] - [ -0.0000120800000000, -0.0036221500000000, -0.0033497900000000 ] - [ 0.0032699000000000, 0.0018050500000000, -0.0007600100000000 ] - [ -0.0021050400000000, -0.0031885000000000, 0.0008731100000000 ]- atom: 81 displacement: [ -0.0053469176449015, 0.0000000000000000, 0.0084504716849795 ] forces: - [ -0.0048356300000000, 0.0025976300000000, 0.0027399300000000 ] - [ -0.0009643100000000, -0.0001879300000000, 0.0001506000000000 ] - [ -0.0025386300000000, 0.0006286800000000, -0.0042836300000000 ] - [ -0.0005538500000000, 0.0001292000000000, -0.0001706700000000 ] - [ 0.0038334800000000, 0.0005139200000000, 0.0019000600000000 ] - [ -0.0003245100000000, -0.0005673900000000, 0.0004541500000000 ] - [ 0.0042826600000000, 0.0003214000000000, -0.0023703700000000 ] - [ 0.0005621600000000, -0.0002616400000000, -0.0007338400000000 ] - [ 0.0000997100000000, -0.0006438900000000, -0.0003147700000000 ] - [ -0.0002596100000000, 0.0001378500000000, -0.0000999700000000 ] - [ 0.0015790100000000, -0.0029603200000000, -0.0024324200000000 ] - [ 0.0012773600000000, 0.0013101900000000, -0.0012370800000000 ] - [ -0.0003102700000000, -0.0073674000000000, -0.0036945100000000 ] - [ -0.0012980500000000, 0.0027665600000000, -0.0014963800000000 ] - [ -0.0006995200000000, 0.0000386700000000, 0.0005413500000000 ] - [ -0.0005509200000000, -0.0003829700000000, 0.0014237300000000 ] - [ -0.1094761300000000, 0.0219346100000000, 0.0251804000000000 ] - [ -0.0006820500000000, 0.0001805600000000, 0.0010316900000000 ] - [ 0.0001562600000000, 0.0066279100000000, 0.0037654200000000 ] - [ -0.0031504600000000, -0.0016639900000000, 0.0004285300000000 ] - [ -0.0018400500000000, 0.0006090300000000, -0.0007617000000000 ] - [ -0.0002582800000000, -0.0003815800000000, -0.0000582800000000 ] - [ -0.0010367700000000, -0.0006419100000000, -0.0009608100000000 ] - [ 0.0000403700000000, 0.0001860200000000, 0.0003935400000000 ] - [ 0.0001058800000000, -0.0021857500000000, 0.0019403100000000 ] - [ -0.0009400800000000, 0.0002670800000000, 0.0009320300000000 ] - [ -0.0014602500000000, -0.0000366300000000, -0.0060435500000000 ] - [ 0.0003893600000000, 0.0000712800000000, -0.0005386100000000 ] - [ 0.0006168100000000, 0.0012667200000000, 0.0009886000000000 ] - [ 0.0025535000000000, -0.0043055900000000, 0.0000955600000000 ] - [ 0.0069638300000000, -0.0444611400000000, 0.1431103500000000 ] - [ -0.0008096500000000, -0.0002184800000000, 0.0019002400000000 ] - [ -0.0014695500000000, 0.0009384400000000, 0.0010285800000000 ] - [ -0.0005476500000000, 0.0004219100000000, -0.0001148300000000 ] - [ -0.0054841700000000, 0.0043816300000000, -0.0039152700000000 ] - [ -0.0006750300000000, -0.0009815800000000, -0.0004974600000000 ] - [ 0.0029842000000000, 0.0024590000000000, -0.0006804700000000 ] - [ 0.0006770900000000, -0.0018790800000000, -0.0003032300000000 ] - [ 0.0006214000000000, 0.0003772100000000, -0.0005686100000000 ] - [ 0.0002959700000000, -0.0004926000000000, -0.0005510600000000 ] - [ 0.0037103300000000, 0.0014746200000000, -0.0035584600000000 ] - [ 0.0012902000000000, 0.0001091300000000, -0.0014755700000000 ] - [ 0.0005940000000000, -0.0033178200000000, -0.0033439500000000 ] - [ 0.0000014300000000, 0.0027516500000000, -0.0005006200000000 ] - [ 0.0035413600000000, -0.0025854900000000, 0.0012534500000000 ] - [ 0.0021148500000000, 0.0017909400000000, 0.0003534000000000 ] - [ -0.0026149200000000, 0.0056275100000000, 0.0033266500000000 ] - [ 0.0008516100000000, 0.0001362300000000, 0.0044995200000000 ] - [ -0.0644152300000000, 0.1006750700000000, 0.1426331000000000 ] - [ -0.0015039200000000, 0.0019907000000000, -0.0002791400000000 ] - [ -0.0010247500000000, -0.0001890900000000, 0.0006691600000000 ] - [ 0.0005111600000000, 0.0001044000000000, 0.0000767000000000 ] - [ 0.0008855700000000, -0.0001858500000000, -0.0018540700000000 ] - [ 0.0005226000000000, 0.0000463700000000, -0.0005037700000000 ] - [ 0.0033229300000000, 0.0008746400000000, -0.0068966900000000 ] - [ -0.0001706700000000, 0.0002734400000000, -0.0002196700000000 ] - [ 0.0012842600000000, -0.0001795900000000, 0.0007227400000000 ] - [ 0.0013672000000000, -0.0000885000000000, 0.0004244100000000 ] - [ 0.0006311100000000, -0.0000512800000000, -0.0006340700000000 ] - [ -0.0002507800000000, 0.0000302900000000, -0.0005710800000000 ] - [ 0.0023903600000000, 0.0023452100000000, -0.0050498300000000 ] - [ 0.0011829500000000, -0.0007505300000000, -0.0014958900000000 ] - [ 0.0037405200000000, 0.0000884600000000, -0.0038808800000000 ] - [ 0.0009183300000000, 0.0001382200000000, -0.0002682700000000 ] - [ 0.0030710500000000, -0.0011322100000000, -0.0045326700000000 ] - [ -0.0001564900000000, -0.0003546700000000, -0.0000972500000000 ] - [ 0.0005286900000000, 0.0013404200000000, -0.0031494500000000 ] - [ 0.0004748900000000, -0.0006753400000000, -0.0025022000000000 ] - [ 0.0031749800000000, -0.0005365600000000, 0.0010361800000000 ] - [ 0.0009044500000000, 0.0002932200000000, -0.0002713300000000 ] - [ -0.0003295000000000, 0.0002343500000000, 0.0000005600000000 ] - [ -0.0002171400000000, 0.0000793500000000, -0.0000816100000000 ] - [ 0.0022368600000000, 0.0004066000000000, -0.0030738100000000 ] - [ 0.0003121500000000, -0.0004419700000000, -0.0011074300000000 ] - [ 0.0008428500000000, 0.0014652900000000, -0.0018715200000000 ] - [ 0.0006461800000000, -0.0001731700000000, -0.0003590100000000 ] - [ 0.0010468800000000, -0.0006834700000000, 0.0034851000000000 ] - [ -0.0000469200000000, -0.0001439100000000, 0.0010033900000000 ] - [ -0.0606383000000000, -0.0531676000000000, 0.0395733600000000 ] - [ -0.0000661800000000, -0.0040747800000000, 0.0008825200000000 ] - [ 0.2330038200000000, -0.0381676500000000, -0.3634545500000000 ] - [ 0.0019369900000000, -0.0000620800000000, -0.0016846000000000 ] - [ -0.0031218700000000, -0.0044340800000000, -0.0010910100000000 ] - [ -0.0000333900000000, 0.0052953600000000, 0.0008768300000000 ] - [ 0.0010087400000000, -0.0012590400000000, 0.0033192300000000 ] - [ -0.0001364100000000, 0.0005208300000000, -0.0002592400000000 ] - [ 0.0014237300000000, 0.0004943900000000, -0.0015912400000000 ] - [ 0.0006226700000000, 0.0001109300000000, 0.0000993800000000 ] - [ -0.0010069200000000, -0.0007912800000000, 0.0009613800000000 ] - [ -0.0010769100000000, 0.0001663500000000, 0.0009179000000000 ] - [ -0.0005787800000000, 0.0003143300000000, -0.0034490900000000 ] - [ -0.0001827300000000, -0.0004867100000000, -0.0007026700000000 ] - [ 0.0002107700000000, -0.0060804000000000, 0.0058910300000000 ] - [ -0.0012324300000000, 0.0034814400000000, 0.0032275900000000 ] - [ -0.0046446200000000, -0.0014733600000000, 0.0087193300000000 ] - [ -0.0008848000000000, 0.0005232700000000, 0.0013914000000000 ] - [ 0.0151121600000000, 0.0051878400000000, 0.0242526900000000 ] - [ 0.0011501300000000, -0.0009236500000000, 0.0009883600000000 ] - [ 0.0029351300000000, -0.0003599200000000, -0.0003134100000000 ] - [ 0.0007638300000000, 0.0004810200000000, -0.0006207600000000 ] - [ -0.0023714400000000, 0.0001824800000000, 0.0010421500000000 ] - [ -0.0001772000000000, 0.0000990900000000, 0.0003633100000000 ] - [ -0.0231356900000000, 0.0005367200000000, 0.0090600000000000 ] - [ -0.0001809100000000, -0.0000639300000000, 0.0000722900000000 ] - [ -0.0020348100000000, -0.0006000900000000, 0.0031369500000000 ] - [ -0.0008994900000000, -0.0001567700000000, 0.0010497200000000 ] - [ 0.0001597600000000, -0.0020886300000000, -0.0018161900000000 ] - [ -0.0006034600000000, 0.0019141800000000, -0.0002674800000000 ] - [ 0.0002166800000000, -0.0000084300000000, 0.0040308500000000 ] - [ 0.0003377300000000, 0.0005089300000000, 0.0014310200000000 ] - [ 0.0000178200000000, 0.0029879200000000, -0.0137660200000000 ] - [ 0.0018225200000000, 0.0002465100000000, -0.0013619000000000 ] - [ -0.0016477500000000, 0.0012545400000000, 0.0027401600000000 ] - [ -0.0003631800000000, -0.0008720500000000, 0.0010180100000000 ] - [ -0.0035788500000000, 0.0023091500000000, 0.0074531300000000 ] - [ -0.0014870600000000, -0.0009173200000000, 0.0018831100000000 ] - [ -0.0010590600000000, 0.0159742300000000, -0.0206701600000000 ] - [ 0.0035536500000000, -0.0108566600000000, -0.0012040500000000 ] - [ 0.0012452100000000, -0.0004879400000000, -0.0030056700000000 ] - [ -0.0015427500000000, -0.0005653300000000, -0.0016705400000000 ] - [ 0.0175870000000000, 0.0188797200000000, 0.0016502100000000 ] - [ 0.0004960200000000, -0.0017614500000000, -0.0017817000000000 ] - [ -0.0222187600000000, -0.0089687400000000, 0.0077113900000000 ] - [ -0.0015773000000000, 0.0010365100000000, 0.0009634700000000 ] - [ -0.0006889800000000, -0.0161753400000000, 0.0140291800000000 ] - [ 0.0011397800000000, 0.0019839400000000, -0.0004446100000000 ] - [ -0.0041865900000000, 0.0015849100000000, 0.0017641000000000 ] - [ -0.0016306300000000, -0.0006036500000000, 0.0005711500000000 ]- atom: 81 displacement: [ 0.0053469176449015, 0.0000000000000000, -0.0084504716849795 ] forces: - [ 0.0052235900000000, -0.0021744300000000, -0.0033497200000000 ] - [ 0.0013509400000000, 0.0006007500000000, -0.0007887200000000 ] - [ 0.0021507000000000, -0.0002161500000000, 0.0049132600000000 ] - [ 0.0001632900000000, 0.0002989500000000, 0.0007960100000000 ] - [ -0.0041933800000000, -0.0009292000000000, -0.0012688200000000 ] - [ -0.0000716100000000, 0.0001435500000000, 0.0001770500000000 ] - [ -0.0038933700000000, -0.0007491500000000, 0.0017349100000000 ] - [ -0.0001756300000000, -0.0001596400000000, 0.0001033100000000 ] - [ -0.0008704700000000, 0.0005838200000000, 0.0008693000000000 ] - [ -0.0005125300000000, -0.0002066100000000, 0.0006614500000000 ] - [ -0.0008169600000000, 0.0029035100000000, 0.0018492700000000 ] - [ -0.0005041600000000, -0.0013848900000000, 0.0006739300000000 ] - [ 0.0011061100000000, 0.0074567700000000, 0.0031481600000000 ] - [ 0.0020631800000000, -0.0026835400000000, 0.0009498500000000 ] - [ -0.0000791900000000, 0.0000257800000000, 0.0000213100000000 ] - [ -0.0002218100000000, 0.0004513300000000, -0.0008519200000000 ] - [ 0.1124149900000000, -0.0225331900000000, -0.0231996100000000 ] - [ 0.0015490200000000, -0.0001761700000000, -0.0001599100000000 ] - [ -0.0009971700000000, -0.0066561300000000, -0.0046482800000000 ] - [ 0.0023041300000000, 0.0016712700000000, -0.0013068700000000 ] - [ 0.0009744100000000, -0.0006107300000000, -0.0001085900000000 ] - [ -0.0006034600000000, 0.0003754000000000, -0.0008125900000000 ] - [ 0.0018924000000000, 0.0006386700000000, 0.0018259700000000 ] - [ 0.0008208600000000, -0.0001839300000000, 0.0004721000000000 ] - [ -0.0010866800000000, 0.0019683900000000, -0.0007877800000000 ] - [ -0.0000434000000000, -0.0004801700000000, 0.0002230700000000 ] - [ 0.0024466500000000, -0.0001853100000000, 0.0048559400000000 ] - [ 0.0005948900000000, -0.0002904300000000, -0.0006156500000000 ] - [ 0.0003623200000000, -0.0010525800000000, -0.0021543100000000 ] - [ -0.0015648400000000, 0.0044986400000000, -0.0012552100000000 ] - [ -0.0103739800000000, 0.0470013600000000, -0.1466235000000000 ] - [ -0.0001696500000000, 0.0004426600000000, -0.0007545600000000 ] - [ 0.0011936700000000, -0.0002312100000000, -0.0014828300000000 ] - [ 0.0002871000000000, 0.0002741100000000, -0.0003526200000000 ] - [ 0.0057020800000000, -0.0036630600000000, 0.0043407600000000 ] - [ 0.0009505000000000, 0.0017021200000000, 0.0009648700000000 ] - [ -0.0027245300000000, -0.0031693700000000, 0.0011384100000000 ] - [ -0.0004148600000000, 0.0011775300000000, 0.0007577900000000 ] - [ -0.0008874500000000, -0.0010827900000000, 0.0001022200000000 ] - [ -0.0005569500000000, -0.0002045300000000, 0.0000817700000000 ] - [ -0.0032956900000000, -0.0010399900000000, 0.0029254900000000 ] - [ -0.0009017500000000, 0.0003148300000000, 0.0008547200000000 ] - [ -0.0009446900000000, 0.0037740500000000, 0.0039985800000000 ] - [ -0.0003861600000000, -0.0023115100000000, 0.0011205000000000 ] - [ -0.0039421700000000, 0.0021590900000000, -0.0006171300000000 ] - [ -0.0025257700000000, -0.0022271800000000, 0.0002952800000000 ] - [ 0.0029974500000000, -0.0060402400000000, -0.0039731400000000 ] - [ -0.0004629000000000, -0.0005969800000000, -0.0051404700000000 ] - [ 0.0618426900000000, -0.0942259400000000, -0.1366284300000000 ] - [ 0.0007313900000000, -0.0020586400000000, 0.0008552700000000 ] - [ 0.0017845300000000, 0.0001298000000000, -0.0012307100000000 ] - [ 0.0002663200000000, -0.0001627700000000, -0.0006440300000000 ] - [ -0.0001033800000000, 0.0002527200000000, 0.0012736700000000 ] - [ 0.0002528000000000, 0.0000062300000000, -0.0000685700000000 ] - [ -0.0041384000000000, -0.0008201200000000, 0.0075013500000000 ] - [ -0.0006043300000000, -0.0002126400000000, 0.0007895900000000 ] - [ -0.0004337000000000, 0.0001814600000000, 0.0001446800000000 ] - [ -0.0005091500000000, 0.0000971500000000, 0.0004446700000000 ] - [ -0.0014910200000000, 0.0000575400000000, -0.0002372700000000 ] - [ -0.0006126100000000, -0.0000295100000000, -0.0002947600000000 ] - [ -0.0032363400000000, -0.0023217600000000, 0.0041673900000000 ] - [ -0.0020485200000000, 0.0007466300000000, 0.0006350100000000 ] - [ -0.0028995100000000, -0.0001116700000000, 0.0047477500000000 ] - [ -0.0000564000000000, -0.0001396200000000, 0.0011416100000000 ] - [ -0.0040308300000000, 0.0008992800000000, 0.0056903100000000 ] - [ -0.0008321000000000, 0.0001376500000000, 0.0012519300000000 ] - [ 0.0004489000000000, -0.0015312400000000, 0.0019812000000000 ] - [ 0.0005020300000000, 0.0004481600000000, 0.0013618000000000 ] - [ -0.0021892300000000, 0.0007454400000000, -0.0021782500000000 ] - [ 0.0000730100000000, -0.0000704700000000, -0.0008763000000000 ] - [ -0.0006532700000000, -0.0000215700000000, 0.0011590600000000 ] - [ -0.0007594000000000, 0.0001451900000000, 0.0012448800000000 ] - [ -0.0024870600000000, 0.0002724800000000, 0.0026062600000000 ] - [ -0.0005777100000000, 0.0011589700000000, 0.0006420600000000 ] - [ -0.0005746300000000, -0.0007609900000000, 0.0023301700000000 ] - [ -0.0003730600000000, 0.0008816500000000, 0.0008281100000000 ] - [ -0.0008131800000000, -0.0000132300000000, -0.0030169000000000 ] - [ 0.0003134700000000, -0.0005669300000000, -0.0005404700000000 ] - [ 0.0598130400000000, 0.0513239500000000, -0.0404685900000000 ] - [ -0.0001963100000000, 0.0033768300000000, -0.0013493300000000 ] - [ -0.2303221800000000, 0.0305331800000000, 0.3625794700000000 ] - [ -0.0020607600000000, -0.0005502600000000, 0.0022740700000000 ] - [ 0.0032553400000000, 0.0038341200000000, 0.0005205100000000 ] - [ 0.0001489800000000, -0.0059163100000000, -0.0014305300000000 ] - [ -0.0008891700000000, 0.0018714600000000, -0.0039003700000000 ] - [ 0.0002528500000000, 0.0000878600000000, -0.0003246800000000 ] - [ -0.0015436700000000, 0.0001189200000000, 0.0021725200000000 ] - [ -0.0007432600000000, 0.0005006900000000, 0.0004849500000000 ] - [ 0.0008864500000000, 0.0001771500000000, -0.0003736000000000 ] - [ 0.0009561300000000, -0.0007797100000000, -0.0003291500000000 ] - [ 0.0007150900000000, -0.0009329500000000, 0.0028452800000000 ] - [ 0.0003067800000000, -0.0001288200000000, 0.0001161100000000 ] - [ -0.0000745400000000, 0.0066198300000000, -0.0064612000000000 ] - [ 0.0013623600000000, -0.0028761000000000, -0.0038306900000000 ] - [ 0.0045328300000000, 0.0021420000000000, -0.0081490900000000 ] - [ 0.0007668300000000, 0.0000812300000000, -0.0008060700000000 ] - [ -0.0153492300000000, -0.0051712800000000, -0.0241695500000000 ] - [ -0.0014344500000000, 0.0008149700000000, -0.0009216800000000 ] - [ -0.0026417800000000, 0.0002720500000000, 0.0002376100000000 ] - [ -0.0004689700000000, -0.0005626800000000, 0.0005514400000000 ] - [ 0.0026524500000000, -0.0000848400000000, -0.0011059900000000 ] - [ 0.0004684500000000, -0.0000124500000000, -0.0004335700000000 ] - [ 0.0229985600000000, -0.0004604800000000, -0.0089100200000000 ] - [ -0.0001101800000000, 0.0001507900000000, 0.0000054800000000 ] - [ 0.0022093700000000, 0.0003576200000000, -0.0041106600000000 ] - [ 0.0010678900000000, -0.0001090400000000, -0.0020257800000000 ] - [ -0.0003322200000000, 0.0018205700000000, 0.0027973200000000 ] - [ 0.0004366700000000, -0.0021631600000000, 0.0012515100000000 ] - [ -0.0003602500000000, 0.0002678200000000, -0.0030230900000000 ] - [ -0.0005056600000000, -0.0002579900000000, -0.0004483900000000 ] - [ 0.0001385100000000, -0.0027104100000000, 0.0127126800000000 ] - [ -0.0016710200000000, 0.0000088200000000, 0.0003787000000000 ] - [ 0.0013405700000000, -0.0013335000000000, -0.0026756000000000 ] - [ 0.0000729800000000, 0.0007781500000000, -0.0009369000000000 ] - [ 0.0038548500000000, -0.0024260600000000, -0.0075378200000000 ] - [ 0.0017683900000000, 0.0008319600000000, -0.0019538000000000 ] - [ 0.0013805900000000, -0.0160038600000000, 0.0206080300000000 ] - [ -0.0032637100000000, 0.0109834500000000, 0.0011000500000000 ] - [ -0.0015131700000000, 0.0005700500000000, 0.0030692700000000 ] - [ 0.0012611300000000, 0.0006597600000000, 0.0017394800000000 ] - [ -0.0175072500000000, -0.0191011400000000, -0.0025693600000000 ] - [ -0.0003352700000000, 0.0014950100000000, 0.0007963700000000 ] - [ 0.0218754300000000, 0.0086187300000000, -0.0067442700000000 ] - [ 0.0014146200000000, -0.0012939500000000, 0.0000153300000000 ] - [ 0.0004415700000000, 0.0164518000000000, -0.0130704800000000 ] - [ -0.0013204400000000, -0.0017425300000000, 0.0014471600000000 ] - [ 0.0043475500000000, -0.0013163700000000, -0.0027570100000000 ] - [ 0.0017988800000000, 0.0008483800000000, -0.0015702000000000 ]- atom: 97 displacement: [ 0.0099999779436379, 0.0000000000000000, 0.0000210030177685 ] forces: - [ 0.0564997900000000, -0.0040715200000000, -0.0098284900000000 ] - [ 0.0012101500000000, 0.0003840100000000, -0.0003988600000000 ] - [ 0.0218880300000000, -0.0003974500000000, 0.0000410600000000 ] - [ 0.0004750400000000, 0.0006850200000000, 0.0004620400000000 ] - [ -0.0043614200000000, 0.0038195000000000, 0.0071432700000000 ] - [ -0.0001786300000000, -0.0006149900000000, 0.0010460200000000 ] - [ 0.0051334200000000, -0.0006969600000000, 0.0010509300000000 ] - [ 0.0005556400000000, 0.0000431200000000, 0.0001608800000000 ] - [ -0.0013810400000000, 0.0007381200000000, -0.0002926200000000 ] - [ -0.0018026400000000, -0.0007972700000000, 0.0001156600000000 ] - [ 0.0011738100000000, -0.0007492900000000, 0.0017396000000000 ] - [ 0.0010675100000000, 0.0007380500000000, 0.0027041600000000 ] - [ 0.0113671600000000, -0.0003251400000000, 0.0025495600000000 ] - [ 0.0022711300000000, 0.0011998100000000, 0.0005610400000000 ] - [ -0.0029100100000000, -0.0035912800000000, -0.0029645100000000 ] - [ -0.0012748500000000, 0.0020023100000000, -0.0013233700000000 ] - [ 0.0087829100000000, -0.0014477300000000, 0.0042480300000000 ] - [ 0.0020852200000000, -0.0001374000000000, 0.0009459200000000 ] - [ 0.0023973400000000, 0.0008830600000000, -0.0002606600000000 ] - [ 0.0004631000000000, 0.0001061300000000, 0.0000299400000000 ] - [ -0.0091482000000000, 0.0002248800000000, -0.0012893300000000 ] - [ -0.0013444800000000, 0.0004411700000000, -0.0006582500000000 ] - [ -0.0026583000000000, 0.0003556800000000, -0.0003978900000000 ] - [ -0.0024385400000000, -0.0010832100000000, -0.0006769100000000 ] - [ -0.0021817700000000, 0.0029459000000000, 0.0002159400000000 ] - [ -0.0027619000000000, -0.0066663500000000, -0.0006388100000000 ] - [ -0.0021249900000000, -0.0000557200000000, -0.0025055300000000 ] - [ -0.0001306900000000, -0.0000754700000000, -0.0011133400000000 ] - [ 0.0025341500000000, -0.0030247600000000, 0.0037694200000000 ] - [ 0.0010105200000000, 0.0024553700000000, 0.0025885800000000 ] - [ -0.0006407900000000, -0.0019257300000000, -0.0042085900000000 ] - [ -0.0002917400000000, 0.0005409700000000, 0.0002106800000000 ] - [ -0.0023527200000000, 0.0067134300000000, -0.0030582400000000 ] - [ 0.0008828100000000, -0.0016411300000000, -0.0012040000000000 ] - [ 0.0140043700000000, 0.0012825700000000, 0.0002021800000000 ] - [ 0.0022991100000000, 0.0034602700000000, 0.0009844400000000 ] - [ 0.0015878600000000, 0.0000226800000000, 0.0055506600000000 ] - [ 0.0004207100000000, 0.0001516000000000, 0.0011804300000000 ] - [ -0.0036682300000000, -0.0007332100000000, 0.0026400000000000 ] - [ -0.0003419400000000, 0.0000693600000000, -0.0002251700000000 ] - [ -0.0020479400000000, -0.0012723800000000, -0.0003949000000000 ] - [ -0.0016960000000000, 0.0013021200000000, -0.0004285200000000 ] - [ -0.0018140600000000, -0.0003724200000000, 0.0000714000000000 ] - [ -0.0019450900000000, 0.0011705600000000, 0.0001040800000000 ] - [ -0.0036912200000000, 0.0016328000000000, -0.0023051200000000 ] - [ -0.0007566200000000, -0.0013098300000000, -0.0005613000000000 ] - [ -0.0020674900000000, 0.0004793800000000, -0.0021899300000000 ] - [ -0.0005184700000000, -0.0006003200000000, -0.0007076500000000 ] - [ 0.0171384100000000, 0.0013475000000000, 0.0097232400000000 ] - [ 0.0002510000000000, 0.0004180500000000, 0.0006506400000000 ] - [ -0.0030298500000000, 0.0006467200000000, -0.0064644600000000 ] - [ -0.0000095700000000, 0.0002612800000000, -0.0011267900000000 ] - [ -0.0019293900000000, 0.0007066600000000, -0.0009617100000000 ] - [ -0.0002610700000000, 0.0000553900000000, -0.0005707400000000 ] - [ -0.0051239900000000, -0.0056093500000000, 0.0060874700000000 ] - [ 0.0000216100000000, 0.0007659900000000, 0.0011675300000000 ] - [ -0.0020388900000000, -0.0000300800000000, -0.0010595000000000 ] - [ -0.0006639600000000, 0.0003738100000000, -0.0001128800000000 ] - [ -0.0021378300000000, 0.0005473300000000, -0.0023617000000000 ] - [ -0.0007110700000000, -0.0000936800000000, -0.0004287200000000 ] - [ 0.0019377800000000, -0.0037730100000000, 0.0000560700000000 ] - [ -0.0010054000000000, 0.0026297900000000, -0.0003808600000000 ] - [ 0.0240311600000000, -0.0009068300000000, -0.0060515700000000 ] - [ 0.0014082700000000, 0.0004115800000000, 0.0009075600000000 ] - [ -0.0096405300000000, -0.0029628600000000, -0.0026469200000000 ] - [ -0.0007264300000000, 0.0006781100000000, 0.0006744600000000 ] - [ 0.0026757000000000, 0.0017043500000000, -0.0003004700000000 ] - [ 0.0070856500000000, 0.0028251700000000, 0.0032056100000000 ] - [ -0.0017427000000000, -0.0002911500000000, -0.0043513300000000 ] - [ -0.0001181100000000, 0.0004471900000000, -0.0013656100000000 ] - [ 0.0004263500000000, -0.0002666000000000, 0.0013927100000000 ] - [ -0.0002854200000000, 0.0014416700000000, -0.0003330700000000 ] - [ -0.0078287200000000, 0.0041401600000000, 0.0009264400000000 ] - [ -0.0003320100000000, -0.0003511800000000, 0.0000528200000000 ] - [ -0.0035096900000000, -0.0002308900000000, -0.0002084100000000 ] - [ -0.0007213200000000, 0.0002873100000000, 0.0000460500000000 ] - [ -0.0013303400000000, 0.0000597500000000, -0.0013349000000000 ] - [ -0.0008000400000000, -0.0003457000000000, -0.0008964900000000 ] - [ 0.0001748500000000, -0.0052275100000000, -0.0027139900000000 ] - [ -0.0000035400000000, 0.0024383900000000, -0.0011511600000000 ] - [ -0.0111583900000000, 0.0126180800000000, 0.0113991900000000 ] - [ -0.0019289400000000, -0.0017431800000000, 0.0006526400000000 ] - [ -0.0031965900000000, -0.0007672900000000, -0.0067428600000000 ] - [ -0.0011541700000000, -0.0004989600000000, -0.0029887600000000 ] - [ 0.0075872300000000, -0.0003813400000000, 0.0014889500000000 ] - [ 0.0014370800000000, 0.0003174300000000, 0.0001930900000000 ] - [ 0.0044140500000000, -0.0041096000000000, 0.0014606400000000 ] - [ 0.0027211700000000, 0.0047853800000000, 0.0036922600000000 ] - [ 0.0026584600000000, 0.0016765700000000, 0.0002500100000000 ] - [ 0.0010572700000000, -0.0012823900000000, 0.0007461000000000 ] - [ 0.0028703900000000, -0.0013332200000000, 0.0047867800000000 ] - [ 0.0008216300000000, -0.0005066100000000, 0.0009145700000000 ] - [ -0.0084046800000000, 0.0022916500000000, -0.0016553200000000 ] - [ -0.0040459800000000, -0.0127995200000000, -0.0044444800000000 ] - [ 0.0323681900000000, 0.0056054500000000, -0.0063016100000000 ] - [ -0.0008302000000000, -0.0001030500000000, -0.0002351300000000 ] - [ -0.1762462700000000, 0.0250961800000000, -0.0025160500000000 ] - [ -0.0016679300000000, -0.0014004500000000, -0.0002708700000000 ] - [ 0.0306267800000000, 0.0010970400000000, 0.0245309900000000 ] - [ -0.0000437500000000, -0.0005896900000000, 0.0005817000000000 ] - [ 0.0032200800000000, -0.0013361400000000, -0.0005342300000000 ] - [ 0.0008762100000000, 0.0004622700000000, -0.0004999300000000 ] - [ -0.0036872600000000, 0.0007872000000000, -0.0096966400000000 ] - [ -0.0012898200000000, -0.0002222300000000, -0.0018885800000000 ] - [ -0.0203113900000000, -0.0007035100000000, -0.0136750600000000 ] - [ -0.0007861200000000, -0.0010876700000000, -0.0011335600000000 ] - [ 0.0184786600000000, 0.0083848500000000, -0.0153499500000000 ] - [ 0.0001399800000000, -0.0018001600000000, -0.0001747300000000 ] - [ -0.0058416200000000, -0.0079365100000000, 0.0057520600000000 ] - [ -0.0024552200000000, 0.0002908200000000, -0.0002412900000000 ] - [ 0.0052607200000000, -0.0254672200000000, -0.0113378500000000 ] - [ -0.0040325500000000, 0.0036425400000000, -0.0015562800000000 ] - [ 0.0033392400000000, -0.0005611900000000, 0.0008992700000000 ] - [ 0.0033364600000000, -0.0001583800000000, 0.0008394200000000 ] - [ 0.0020489400000000, 0.0047914000000000, -0.0014234100000000 ] - [ 0.0020541400000000, -0.0044873500000000, -0.0017973800000000 ] - [ 0.0012521200000000, -0.0109502100000000, 0.0125647300000000 ] - [ -0.0010876000000000, 0.0015780600000000, -0.0002764000000000 ] - [ 0.0042221200000000, 0.0015446200000000, 0.0052318700000000 ] - [ 0.0015547700000000, -0.0001079500000000, 0.0018113900000000 ] - [ 0.0031334300000000, 0.0008426700000000, 0.0020796100000000 ] - [ 0.0016119200000000, -0.0007799000000000, 0.0010327300000000 ] - [ 0.0043275400000000, 0.0061664000000000, 0.0046409300000000 ] - [ 0.0015694700000000, -0.0025582700000000, 0.0017348500000000 ] - [ 0.0035855600000000, -0.0008817200000000, 0.0007291700000000 ] - [ 0.0004392300000000, 0.0003077000000000, 0.0004809400000000 ] - [ 0.0071018600000000, -0.0025785400000000, 0.0033247400000000 ] - [ 0.0012728500000000, 0.0004902400000000, 0.0001684900000000 ]- atom: 97 displacement: [ -0.0099999779436379, 0.0000000000000000, -0.0000210030177685 ] forces: - [ -0.0518563300000000, 0.0040312200000000, 0.0080926600000000 ] - [ -0.0008092200000000, 0.0000254300000000, -0.0002118100000000 ] - [ -0.0220360500000000, 0.0008014200000000, 0.0008118100000000 ] - [ -0.0008548400000000, -0.0002669700000000, 0.0001414500000000 ] - [ 0.0039536100000000, -0.0042115400000000, -0.0065197500000000 ] - [ -0.0002162200000000, 0.0001973100000000, -0.0004351300000000 ] - [ -0.0047417900000000, 0.0002773800000000, -0.0016447400000000 ] - [ -0.0001686700000000, -0.0004554100000000, -0.0007546200000000 ] - [ 0.0006009500000000, -0.0007917100000000, 0.0008668200000000 ] - [ 0.0010254300000000, 0.0007243000000000, 0.0004657600000000 ] - [ -0.0004007500000000, 0.0006914400000000, -0.0023194400000000 ] - [ -0.0002924800000000, -0.0008015400000000, -0.0032726500000000 ] - [ -0.0105170100000000, 0.0002780100000000, -0.0030569900000000 ] - [ -0.0015072500000000, -0.0011578200000000, -0.0011519300000000 ] - [ 0.0021175200000000, 0.0036192500000000, 0.0035308600000000 ] - [ 0.0004957700000000, -0.0019390500000000, 0.0019082700000000 ] - [ -0.0078521500000000, 0.0014460600000000, -0.0033663500000000 ] - [ -0.0011676700000000, 0.0001268600000000, -0.0000753300000000 ] - [ -0.0032500400000000, -0.0008812100000000, -0.0006290000000000 ] - [ -0.0013316600000000, -0.0001077600000000, -0.0009041700000000 ] - [ 0.0082141400000000, -0.0002145100000000, 0.0004127700000000 ] - [ 0.0004520900000000, -0.0004369800000000, -0.0002154600000000 ] - [ 0.0035377100000000, -0.0003429100000000, 0.0012697400000000 ] - [ 0.0033327200000000, 0.0010896800000000, 0.0015383600000000 ] - [ 0.0011948600000000, -0.0031498200000000, 0.0009080000000000 ] - [ 0.0017598000000000, 0.0063864800000000, 0.0017650000000000 ] - [ 0.0031046200000000, -0.0001656100000000, 0.0013799500000000 ] - [ 0.0011121800000000, -0.0001575000000000, -0.0000053200000000 ] - [ -0.0015427800000000, 0.0032267300000000, -0.0048754400000000 ] - [ -0.0000271700000000, -0.0022204200000000, -0.0037039300000000 ] - [ -0.0003480700000000, 0.0021409300000000, 0.0052671300000000 ] - [ -0.0006894300000000, -0.0003147100000000, 0.0009058900000000 ] - [ 0.0020850700000000, -0.0059505400000000, 0.0025805500000000 ] - [ -0.0011374300000000, 0.0023293500000000, 0.0007310700000000 ] - [ -0.0136462800000000, -0.0003172900000000, 0.0002618800000000 ] - [ -0.0019925200000000, -0.0026753800000000, -0.0005214000000000 ] - [ -0.0013088700000000, -0.0007510700000000, -0.0050689500000000 ] - [ -0.0001528600000000, -0.0008604800000000, -0.0007164100000000 ] - [ 0.0033825400000000, 0.0000146100000000, -0.0030790700000000 ] - [ 0.0000724400000000, -0.0007763900000000, -0.0002344600000000 ] - [ 0.0024458500000000, 0.0017035200000000, -0.0002176000000000 ] - [ 0.0020772000000000, -0.0008914400000000, -0.0001739200000000 ] - [ 0.0014258900000000, 0.0008032900000000, 0.0005373200000000 ] - [ 0.0015468700000000, -0.0007518800000000, 0.0004942200000000 ] - [ 0.0032761000000000, -0.0020651300000000, 0.0029248000000000 ] - [ 0.0003537300000000, 0.0008921100000000, 0.0011683500000000 ] - [ 0.0024412500000000, -0.0008972800000000, 0.0015588200000000 ] - [ 0.0009023000000000, 0.0001709600000000, 0.0000959200000000 ] - [ -0.0181067000000000, -0.0015017700000000, -0.0097398400000000 ] - [ -0.0010387700000000, -0.0004643800000000, -0.0000678600000000 ] - [ 0.0037868400000000, -0.0006995200000000, 0.0058538500000000 ] - [ 0.0007961800000000, -0.0003056800000000, 0.0005362500000000 ] - [ 0.0027112800000000, -0.0006433700000000, 0.0003748800000000 ] - [ 0.0010450900000000, -0.0000095300000000, -0.0000129100000000 ] - [ 0.0043291800000000, 0.0056462000000000, -0.0055214400000000 ] - [ -0.0008081000000000, -0.0007121700000000, -0.0005813200000000 ] - [ 0.0029093400000000, 0.0000207900000000, 0.0019378200000000 ] - [ 0.0015485600000000, -0.0003769700000000, 0.0009890300000000 ] - [ 0.0012661600000000, -0.0005430500000000, 0.0014937200000000 ] - [ -0.0001706900000000, 0.0000856300000000, -0.0004378800000000 ] - [ -0.0028589800000000, 0.0038038900000000, -0.0009337300000000 ] - [ 0.0000784200000000, -0.0026142900000000, -0.0004842600000000 ] - [ -0.0248377100000000, 0.0010824300000000, 0.0083159000000000 ] - [ -0.0005194000000000, -0.0004055200000000, -0.0000304800000000 ] - [ 0.0087388200000000, 0.0027592900000000, 0.0037675700000000 ] - [ -0.0002677600000000, -0.0009044600000000, 0.0004320600000000 ] - [ -0.0017089500000000, -0.0019519700000000, -0.0008034500000000 ] - [ -0.0061234900000000, -0.0030010800000000, -0.0042576700000000 ] - [ 0.0027267400000000, 0.0005200300000000, 0.0032368200000000 ] - [ 0.0010990600000000, -0.0002187600000000, 0.0002515300000000 ] - [ -0.0014008900000000, 0.0004869800000000, -0.0002560900000000 ] - [ -0.0006888500000000, -0.0012153600000000, 0.0014761400000000 ] - [ 0.0075603900000000, -0.0034573000000000, -0.0014197900000000 ] - [ 0.0000581900000000, 0.0010643900000000, -0.0005155700000000 ] - [ 0.0037734900000000, 0.0009338600000000, 0.0006652100000000 ] - [ 0.0009981600000000, 0.0004303700000000, 0.0004150100000000 ] - [ 0.0015863900000000, -0.0007502300000000, 0.0017969800000000 ] - [ 0.0010729700000000, -0.0003800400000000, 0.0013530700000000 ] - [ -0.0004515400000000, 0.0045014900000000, 0.0022445400000000 ] - [ -0.0002687900000000, -0.0031222700000000, 0.0006730000000000 ] - [ 0.0110222300000000, -0.0131530900000000, -0.0107419600000000 ] - [ 0.0018125300000000, 0.0011214400000000, -0.0000552100000000 ] - [ 0.0033075100000000, 0.0001461900000000, 0.0061423700000000 ] - [ 0.0012770400000000, -0.0001214100000000, 0.0024010200000000 ] - [ -0.0074356700000000, 0.0009887400000000, -0.0020657000000000 ] - [ -0.0013128800000000, 0.0002974700000000, -0.0007744000000000 ] - [ -0.0045230700000000, 0.0047016200000000, -0.0008763000000000 ] - [ -0.0028289000000000, -0.0041362900000000, -0.0030777000000000 ] - [ -0.0027896800000000, -0.0022856600000000, 0.0003151300000000 ] - [ -0.0011827100000000, 0.0006614100000000, -0.0001709900000000 ] - [ -0.0027594500000000, 0.0006993700000000, -0.0053603400000000 ] - [ -0.0007010200000000, -0.0001068100000000, -0.0014955400000000 ] - [ 0.0086273800000000, -0.0015779200000000, 0.0010695800000000 ] - [ 0.0042751100000000, 0.0132998600000000, 0.0038209100000000 ] - [ -0.0326512200000000, -0.0049672400000000, 0.0070940400000000 ] - [ 0.0007190000000000, 0.0007135800000000, 0.0008175600000000 ] - [ 0.1726357000000000, -0.0248831900000000, 0.0023886200000000 ] - [ 0.0013461300000000, 0.0012818500000000, 0.0003477500000000 ] - [ -0.0298948100000000, -0.0011842200000000, -0.0242574100000000 ] - [ 0.0003549500000000, 0.0005106800000000, -0.0006415300000000 ] - [ -0.0029005700000000, 0.0014287000000000, 0.0004471800000000 ] - [ -0.0005628600000000, -0.0003699400000000, 0.0004201600000000 ] - [ 0.0033718200000000, -0.0006898300000000, 0.0097493800000000 ] - [ 0.0009660200000000, 0.0003098200000000, 0.0019573000000000 ] - [ 0.0204975600000000, 0.0004733600000000, 0.0125849000000000 ] - [ 0.0009359000000000, 0.0008450000000000, 0.0001520700000000 ] - [ -0.0184631200000000, -0.0085777900000000, 0.0161817500000000 ] - [ -0.0002915000000000, 0.0015515500000000, 0.0011397600000000 ] - [ 0.0056359500000000, 0.0081910100000000, -0.0048364900000000 ] - [ 0.0022672600000000, -0.0000759800000000, 0.0011909300000000 ] - [ -0.0051285200000000, 0.0254988600000000, 0.0102989600000000 ] - [ 0.0041152100000000, -0.0033816300000000, 0.0005774100000000 ] - [ -0.0036466600000000, 0.0004711200000000, -0.0008202000000000 ] - [ -0.0036466500000000, 0.0000785100000000, -0.0007574600000000 ] - [ -0.0017397000000000, -0.0048820500000000, 0.0013717800000000 ] - [ -0.0017342600000000, 0.0044163100000000, 0.0017353300000000 ] - [ -0.0008517600000000, 0.0109973000000000, -0.0125943200000000 ] - [ 0.0014015800000000, -0.0014936000000000, 0.0002151100000000 ] - [ -0.0045147000000000, -0.0014440200000000, -0.0051577300000000 ] - [ -0.0018670500000000, 0.0001838200000000, -0.0017470700000000 ] - [ -0.0029601500000000, -0.0010654400000000, -0.0030431500000000 ] - [ -0.0014608500000000, 0.0005329900000000, -0.0020080300000000 ] - [ -0.0044697400000000, -0.0064354700000000, -0.0036998300000000 ] - [ -0.0017138700000000, 0.0023274100000000, -0.0007545300000000 ] - [ -0.0037497300000000, 0.0011108100000000, 0.0002648400000000 ] - [ -0.0005984000000000, -0.0000715400000000, 0.0004934600000000 ] - [ -0.0069698700000000, 0.0028473100000000, -0.0043128700000000 ] - [ -0.0011172800000000, -0.0002645900000000, -0.0011430900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016464000000000, 0.0154681500000000, -0.0001484800000000 ] - [ -0.0003306000000000, -0.0028138100000000, -0.0003107700000000 ] - [ -0.0019374800000000, 0.0167289000000000, -0.0007391700000000 ] - [ 0.0002379900000000, -0.0036767400000000, 0.0002125500000000 ] - [ 0.0030395300000000, 0.0028832400000000, -0.0018055600000000 ] - [ -0.0013858200000000, -0.0022569500000000, 0.0006654100000000 ] - [ -0.0005167400000000, 0.0030748200000000, 0.0014577600000000 ] - [ 0.0006068700000000, -0.0032366800000000, -0.0016166600000000 ] - [ -0.0001101100000000, -0.0005219100000000, 0.0005007000000000 ] - [ -0.0004490800000000, 0.0002721600000000, -0.0000003700000000 ] - [ -0.0000414400000000, -0.0007038500000000, 0.0000010700000000 ] - [ 0.0011302900000000, 0.0000052700000000, -0.0008627300000000 ] - [ -0.0007175100000000, 0.0361893900000000, -0.0121097100000000 ] - [ -0.0013870200000000, -0.0110941200000000, -0.0037953300000000 ] - [ -0.0007774800000000, 0.0018738300000000, -0.0000189000000000 ] - [ 0.0000478600000000, -0.0019883600000000, 0.0010256800000000 ] - [ 0.0010622500000000, 0.0009278500000000, -0.0053954800000000 ] - [ 0.0001168200000000, -0.0019336600000000, 0.0016120100000000 ] - [ -0.0010220600000000, 0.0017457100000000, 0.0018425100000000 ] - [ -0.0007818800000000, -0.0013147800000000, -0.0011380600000000 ] - [ 0.0003415000000000, 0.0012857800000000, -0.0007271200000000 ] - [ -0.0001561500000000, -0.0011352300000000, -0.0002112200000000 ] - [ 0.0018583500000000, -0.0001718800000000, 0.0006452900000000 ] - [ 0.0000010600000000, -0.0002334200000000, 0.0002960600000000 ] - [ 0.0014074300000000, -0.0028996000000000, 0.0008176800000000 ] - [ -0.0029288000000000, 0.0010507400000000, 0.0004626600000000 ] - [ 0.0009184700000000, 0.0012730800000000, -0.0005664600000000 ] - [ 0.0004165200000000, -0.0013817300000000, -0.0002506300000000 ] - [ -0.0025784500000000, 0.0012253300000000, 0.0011835600000000 ] - [ 0.0013433200000000, -0.0023927000000000, -0.0019314100000000 ] - [ -0.0012401800000000, 0.0024302400000000, -0.0006850300000000 ] - [ -0.0005519100000000, -0.0020515800000000, 0.0014953000000000 ] - [ 0.0045292900000000, 0.0008928800000000, 0.0016243200000000 ] - [ -0.0016395300000000, -0.0010293300000000, -0.0005139300000000 ] - [ -0.0021444600000000, 0.0382618800000000, 0.0000910500000000 ] - [ -0.0027936400000000, -0.0118517300000000, -0.0009937700000000 ] - [ -0.0006173900000000, 0.0027817600000000, 0.0000487600000000 ] - [ 0.0003734300000000, -0.0027802200000000, 0.0000189700000000 ] - [ 0.0006612000000000, 0.0017961800000000, -0.0010179600000000 ] - [ -0.0004078600000000, -0.0022023000000000, 0.0001247400000000 ] - [ -0.0012884700000000, -0.0003893100000000, -0.0005132300000000 ] - [ 0.0019467200000000, 0.0006350500000000, -0.0002175300000000 ] - [ -0.0010715100000000, -0.0002016200000000, 0.0004202300000000 ] - [ 0.0009158800000000, 0.0003749900000000, 0.0004595400000000 ] - [ 0.0036411900000000, 0.0009747400000000, 0.0012054400000000 ] - [ -0.0012917800000000, -0.0015675100000000, -0.0001459800000000 ] - [ 0.0015827600000000, 0.0001042600000000, 0.0026231200000000 ] - [ 0.0000505900000000, -0.0010766800000000, -0.0010199600000000 ] - [ 0.0048681800000000, 0.0183229600000000, 0.0121140900000000 ] - [ -0.0001751200000000, -0.0038568800000000, 0.0000031400000000 ] - [ 0.0012358300000000, 0.0017804400000000, 0.0003445800000000 ] - [ 0.0001534600000000, -0.0016076000000000, -0.0000404100000000 ] - [ 0.0006691500000000, 0.0009544900000000, 0.0002960100000000 ] - [ 0.0004710800000000, -0.0009471300000000, -0.0006171400000000 ] - [ 0.0000051300000000, 0.0025719200000000, -0.0004189100000000 ] - [ -0.0002613600000000, -0.0019110100000000, 0.0003634100000000 ] - [ 0.0006365400000000, 0.0010180700000000, 0.0000997100000000 ] - [ 0.0007575400000000, -0.0008912900000000, 0.0007951800000000 ] - [ 0.0011970100000000, 0.0010844700000000, 0.0011684100000000 ] - [ -0.0013801400000000, -0.0008831400000000, -0.0016822900000000 ] - [ -0.0108400600000000, -0.0037861700000000, -0.0004555300000000 ] - [ 0.0096016200000000, -0.0060712000000000, -0.0018595500000000 ] - [ -0.0014998800000000, 0.0087547900000000, 0.0006812300000000 ] - [ -0.0003194400000000, -0.0027656400000000, 0.0001237600000000 ] - [ -0.0017147100000000, 0.0032059900000000, 0.0012418900000000 ] - [ 0.0002707600000000, -0.0028469800000000, 0.0003674000000000 ] - [ -0.0011728000000000, -0.0102647400000000, 0.0071643400000000 ] - [ 0.0018108600000000, -0.0121397100000000, -0.0160033000000000 ] - [ 0.0004263600000000, 0.0020442100000000, -0.0002736800000000 ] - [ 0.0008261600000000, -0.0017050800000000, -0.0005545900000000 ] - [ -0.0015062100000000, 0.0016870500000000, -0.0023045200000000 ] - [ -0.0002950600000000, -0.0018242900000000, 0.0025372200000000 ] - [ 0.0001557000000000, 0.0025104700000000, -0.0000212700000000 ] - [ -0.0002381600000000, -0.0016754200000000, -0.0002913800000000 ] - [ 0.0008641200000000, 0.0015678300000000, 0.0002492600000000 ] - [ -0.0000950000000000, -0.0007643900000000, 0.0003199600000000 ] - [ 0.0000468800000000, -0.0002834100000000, 0.0001529700000000 ] - [ 0.0006505800000000, -0.0008000900000000, 0.0006436500000000 ] - [ -0.0014568300000000, 0.0001713200000000, -0.0023762100000000 ] - [ 0.0010533100000000, -0.0032260100000000, 0.0026421500000000 ] - [ 0.0058614400000000, -0.0037543800000000, 0.0101773800000000 ] - [ -0.0002616400000000, 0.0046076100000000, -0.0008662400000000 ] - [ 0.0016249800000000, -0.0034982300000000, -0.0021064700000000 ] - [ 0.0000148600000000, 0.0025801500000000, 0.0007102100000000 ] - [ -0.0007684500000000, -0.0014692900000000, -0.0006555900000000 ] - [ -0.0000992600000000, 0.0020140800000000, -0.0003291500000000 ] - [ -0.0029747200000000, 0.0031410600000000, -0.0008252600000000 ] - [ 0.0014890800000000, 0.0002087200000000, 0.0019039200000000 ] - [ -0.0002609200000000, -0.0026261600000000, 0.0016969100000000 ] - [ -0.0003426200000000, 0.0015878900000000, -0.0008584800000000 ] - [ -0.0012752400000000, -0.0017963800000000, -0.0007685600000000 ] - [ 0.0006323900000000, 0.0014091900000000, -0.0005508800000000 ] - [ 0.0164038800000000, 0.0320825700000000, -0.0028247400000000 ] - [ -0.0133031900000000, 0.0402272000000000, 0.0102041200000000 ] - [ -0.0009109600000000, -0.0057908400000000, -0.0008889300000000 ] - [ 0.0002562400000000, 0.0041197000000000, 0.0006264200000000 ] - [ 0.0249519600000000, -0.1550731700000000, 0.0104197400000000 ] - [ -0.0014734000000000, 0.0109074400000000, -0.0009417500000000 ] - [ -0.0010868700000000, -0.0094876000000000, -0.0005269600000000 ] - [ 0.0006970800000000, 0.0037412500000000, -0.0000244900000000 ] - [ -0.0012457800000000, -0.0011158000000000, -0.0010564500000000 ] - [ 0.0005557700000000, 0.0016212100000000, 0.0008995900000000 ] - [ -0.0008721600000000, -0.0024563200000000, 0.0018826200000000 ] - [ 0.0001244700000000, 0.0030621000000000, 0.0001561200000000 ] - [ 0.0005967100000000, -0.0124599500000000, 0.0108702700000000 ] - [ 0.0003233600000000, 0.0062714200000000, -0.0024449000000000 ] - [ 0.0017501800000000, -0.0063517700000000, 0.0010714700000000 ] - [ -0.0005943500000000, 0.0038773500000000, 0.0007091800000000 ] - [ -0.0060497400000000, 0.0025313500000000, -0.0188729400000000 ] - [ 0.0049225900000000, 0.0076268200000000, 0.0067458600000000 ] - [ -0.0236198800000000, 0.0079826600000000, 0.0120185500000000 ] - [ 0.0070861500000000, 0.0068084600000000, -0.0027044900000000 ] - [ -0.0002585200000000, 0.0000587000000000, 0.0000635500000000 ] - [ -0.0006541400000000, 0.0000466900000000, -0.0002164000000000 ] - [ 0.0045758100000000, 0.0002916200000000, -0.0020020900000000 ] - [ -0.0047168400000000, 0.0002641800000000, 0.0016366100000000 ] - [ -0.0108110100000000, -0.0047794400000000, -0.0207630400000000 ] - [ 0.0016554700000000, 0.0039206800000000, 0.0032761100000000 ] - [ -0.0016340900000000, -0.0022079600000000, -0.0008284300000000 ] - [ 0.0000097700000000, 0.0019265100000000, -0.0001074500000000 ] - [ -0.0000120800000000, -0.0009838000000000, 0.0001755000000000 ] - [ -0.0001884700000000, 0.0013471100000000, -0.0017191700000000 ] - [ 0.0044265300000000, -0.0015362900000000, 0.0036098300000000 ] - [ -0.0041826200000000, 0.0032735900000000, -0.0019935800000000 ] - [ -0.0005108500000000, -0.0030770400000000, -0.0004652800000000 ] - [ 0.0000754400000000, 0.0026448500000000, 0.0006279100000000 ] - [ -0.0014429900000000, -0.0035614000000000, -0.0000217500000000 ] - [ 0.0003555500000000, 0.0030693500000000, -0.0006269700000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016926500000000, -0.0150388900000000, -0.0004633800000000 ] - [ 0.0007099800000000, 0.0032251800000000, -0.0003074900000000 ] - [ 0.0015347900000000, -0.0162517600000000, 0.0013655200000000 ] - [ -0.0006327100000000, 0.0040952500000000, 0.0003966700000000 ] - [ -0.0034376300000000, -0.0033414900000000, 0.0024332300000000 ] - [ 0.0009858500000000, 0.0018357000000000, -0.0000411100000000 ] - [ 0.0009107300000000, -0.0035338600000000, -0.0020606500000000 ] - [ -0.0002161100000000, 0.0028091900000000, 0.0009897200000000 ] - [ -0.0006656300000000, 0.0004552900000000, 0.0000620300000000 ] - [ -0.0003233000000000, -0.0003334900000000, 0.0005676500000000 ] - [ 0.0008122200000000, 0.0006223800000000, -0.0005743000000000 ] - [ -0.0003480900000000, -0.0000545000000000, 0.0002915200000000 ] - [ 0.0010168200000000, -0.0334538300000000, 0.0103283300000000 ] - [ 0.0021574400000000, 0.0112019800000000, 0.0032281300000000 ] - [ 0.0000027800000000, -0.0017890000000000, 0.0005880100000000 ] - [ -0.0008238200000000, 0.0020463900000000, -0.0004487000000000 ] - [ -0.0001914100000000, -0.0009605500000000, 0.0063031900000000 ] - [ 0.0007666100000000, 0.0019377700000000, -0.0007324200000000 ] - [ 0.0001583500000000, -0.0017279700000000, -0.0027114500000000 ] - [ -0.0000823000000000, 0.0013146500000000, 0.0002720500000000 ] - [ -0.0011890000000000, -0.0012866300000000, -0.0001529800000000 ] - [ -0.0007182400000000, 0.0011285200000000, -0.0006632000000000 ] - [ -0.0009964600000000, 0.0001692600000000, 0.0002277600000000 ] - [ 0.0008773700000000, 0.0002421200000000, 0.0005713000000000 ] - [ -0.0023979700000000, 0.0026831100000000, 0.0003208700000000 ] - [ 0.0019292600000000, -0.0012403400000000, 0.0006888400000000 ] - [ 0.0000672000000000, -0.0014937500000000, -0.0005722500000000 ] - [ 0.0005665800000000, 0.0011630000000000, -0.0008931800000000 ] - [ 0.0035420700000000, -0.0009847500000000, -0.0023218500000000 ] - [ -0.0003685900000000, 0.0026005100000000, 0.0007853800000000 ] - [ 0.0002599600000000, -0.0022260600000000, 0.0018035600000000 ] - [ -0.0004282400000000, 0.0022740100000000, -0.0003552900000000 ] - [ -0.0048175600000000, -0.0002261100000000, -0.0020963300000000 ] - [ 0.0013602900000000, 0.0017339200000000, 0.0000445900000000 ] - [ 0.0027971000000000, -0.0409957100000000, 0.0005730800000000 ] - [ 0.0030745200000000, 0.0125402400000000, 0.0014775100000000 ] - [ 0.0008797000000000, -0.0034887900000000, 0.0004282600000000 ] - [ -0.0001063100000000, 0.0020760900000000, 0.0004424700000000 ] - [ -0.0009163900000000, -0.0025014000000000, 0.0005569400000000 ] - [ 0.0001346700000000, 0.0014922500000000, -0.0005913200000000 ] - [ 0.0016996600000000, 0.0008083200000000, -0.0001080800000000 ] - [ -0.0015503900000000, -0.0001974000000000, -0.0003943400000000 ] - [ 0.0006956900000000, 0.0006308400000000, 0.0002039800000000 ] - [ -0.0013051800000000, 0.0000623400000000, 0.0001522700000000 ] - [ -0.0040258000000000, -0.0013856900000000, -0.0005889900000000 ] - [ 0.0009039600000000, 0.0011349900000000, 0.0007729600000000 ] - [ -0.0011919400000000, -0.0005212200000000, -0.0032403000000000 ] - [ 0.0003388700000000, 0.0006299300000000, 0.0004052800000000 ] - [ -0.0055851600000000, -0.0181432100000000, -0.0113886200000000 ] - [ -0.0006009100000000, 0.0038106600000000, 0.0005855900000000 ] - [ -0.0004505700000000, -0.0018469300000000, -0.0008911300000000 ] - [ 0.0006250700000000, 0.0015513300000000, -0.0005357300000000 ] - [ 0.0001141500000000, -0.0008975200000000, -0.0008753800000000 ] - [ 0.0003047000000000, 0.0010073900000000, 0.0000422700000000 ] - [ -0.0008130400000000, -0.0025433400000000, 0.0010071000000000 ] - [ -0.0005120300000000, 0.0019751500000000, 0.0002129400000000 ] - [ 0.0002216700000000, -0.0010089900000000, 0.0007707000000000 ] - [ 0.0001201400000000, 0.0008923300000000, 0.0000749700000000 ] - [ -0.0020646100000000, -0.0010943400000000, -0.0020430100000000 ] - [ 0.0005011100000000, 0.0008851700000000, 0.0008033200000000 ] - [ 0.0100775300000000, 0.0038194000000000, -0.0004211000000000 ] - [ -0.0104181500000000, 0.0060374700000000, 0.0010003900000000 ] - [ 0.0025223300000000, -0.0087930600000000, -0.0000041700000000 ] - [ 0.0012075900000000, 0.0027650000000000, 0.0007504600000000 ] - [ 0.0007040000000000, -0.0034492700000000, -0.0001172600000000 ] - [ -0.0012534400000000, 0.0026255500000000, 0.0007682300000000 ] - [ 0.0021417600000000, 0.0101006200000000, -0.0083467300000000 ] - [ -0.0008071500000000, 0.0118422200000000, 0.0146888500000000 ] - [ 0.0005547100000000, -0.0018379000000000, -0.0008726300000000 ] - [ 0.0001536000000000, 0.0019277100000000, -0.0005831700000000 ] - [ 0.0005227900000000, -0.0014333600000000, 0.0034398900000000 ] - [ -0.0006850500000000, 0.0020363300000000, -0.0013884600000000 ] - [ -0.0004542600000000, -0.0017893200000000, -0.0004426800000000 ] - [ -0.0000280800000000, 0.0023784100000000, -0.0001728500000000 ] - [ -0.0005978300000000, -0.0008579000000000, 0.0002137300000000 ] - [ 0.0003668200000000, 0.0014596800000000, 0.0001452000000000 ] - [ 0.0002137500000000, -0.0004214400000000, 0.0003159200000000 ] - [ -0.0003803200000000, 0.0000947400000000, -0.0001799800000000 ] - [ 0.0011907800000000, -0.0009026400000000, 0.0019264700000000 ] - [ -0.0013205900000000, 0.0025399600000000, -0.0031122500000000 ] - [ -0.0059961100000000, 0.0032490000000000, -0.0095847700000000 ] - [ 0.0001387000000000, -0.0052313600000000, 0.0014423400000000 ] - [ -0.0014943500000000, 0.0028509800000000, 0.0015199100000000 ] - [ 0.0001095600000000, -0.0031891400000000, -0.0012972500000000 ] - [ 0.0008735800000000, 0.0020883600000000, 0.0000679000000000 ] - [ 0.0002240800000000, -0.0014038000000000, -0.0002541800000000 ] - [ 0.0028568500000000, -0.0025156500000000, 0.0014138000000000 ] - [ -0.0016023200000000, 0.0003835800000000, -0.0013063000000000 ] - [ 0.0001314100000000, 0.0019886500000000, -0.0011190000000000 ] - [ 0.0002200000000000, -0.0021950800000000, 0.0014471300000000 ] - [ 0.0013930000000000, 0.0012023000000000, 0.0001740100000000 ] - [ -0.0005037400000000, -0.0020291200000000, -0.0000330000000000 ] - [ -0.0163623000000000, -0.0318386700000000, 0.0022913400000000 ] - [ 0.0132543900000000, -0.0391405000000000, -0.0108357600000000 ] - [ 0.0009304900000000, 0.0064372100000000, 0.0014567400000000 ] - [ -0.0003912500000000, -0.0035079800000000, -0.0000393900000000 ] - [ -0.0250072900000000, 0.1555266000000000, -0.0090022700000000 ] - [ 0.0011891100000000, -0.0110236900000000, 0.0010154800000000 ] - [ 0.0012046700000000, 0.0093971800000000, 0.0004026500000000 ] - [ -0.0003923200000000, -0.0038222300000000, -0.0000423600000000 ] - [ 0.0015317200000000, 0.0012318400000000, 0.0009724800000000 ] - [ -0.0002592100000000, -0.0015344000000000, -0.0009682200000000 ] - [ 0.0005957900000000, 0.0025839300000000, -0.0018195800000000 ] - [ -0.0004241200000000, -0.0029805000000000, -0.0000743000000000 ] - [ -0.0003917300000000, 0.0120482000000000, -0.0119672300000000 ] - [ -0.0001611100000000, -0.0065387100000000, 0.0014906400000000 ] - [ -0.0019621900000000, 0.0060470600000000, -0.0000640800000000 ] - [ 0.0004437400000000, -0.0041313700000000, 0.0002644600000000 ] - [ 0.0059620400000000, -0.0022061100000000, 0.0200158600000000 ] - [ -0.0050491700000000, -0.0073457700000000, -0.0057218200000000 ] - [ 0.0240146800000000, -0.0077287900000000, -0.0131080600000000 ] - [ -0.0069043700000000, -0.0065343900000000, 0.0017042200000000 ] - [ -0.0000324000000000, -0.0001295100000000, 0.0000099100000000 ] - [ 0.0003620300000000, -0.0001470200000000, 0.0002972800000000 ] - [ -0.0043256500000000, -0.0003511800000000, 0.0019547300000000 ] - [ 0.0049758400000000, -0.0003805700000000, -0.0016983000000000 ] - [ 0.0110639400000000, 0.0048009500000000, 0.0206236900000000 ] - [ -0.0013838300000000, -0.0038367300000000, -0.0033790100000000 ] - [ 0.0013395600000000, 0.0022837900000000, 0.0008908500000000 ] - [ -0.0003030000000000, -0.0018323300000000, 0.0001789200000000 ] - [ 0.0001783600000000, 0.0007570900000000, -0.0011630100000000 ] - [ 0.0003438600000000, -0.0016167700000000, 0.0007305200000000 ] - [ -0.0046212600000000, 0.0013285800000000, -0.0026536100000000 ] - [ 0.0040025300000000, -0.0035331300000000, 0.0029524700000000 ] - [ 0.0003480200000000, 0.0033154500000000, 0.0014390200000000 ] - [ -0.0002481300000000, -0.0023875900000000, 0.0003516000000000 ] - [ 0.0016144100000000, 0.0037957900000000, -0.0009476000000000 ] - [ -0.0001998700000000, -0.0028143900000000, -0.0003632100000000 ]- atom: 97 displacement: [ -0.0053469176449015, 0.0000000000000000, 0.0084504716849795 ] forces: - [ -0.0301318200000000, 0.0029865400000000, 0.0198363900000000 ] - [ -0.0002191000000000, 0.0003486300000000, 0.0001083900000000 ] - [ -0.0109648100000000, 0.0006668100000000, 0.0198446400000000 ] - [ -0.0006435600000000, -0.0002503000000000, 0.0008900600000000 ] - [ 0.0049940200000000, -0.0030384800000000, -0.0054050000000000 ] - [ 0.0006419500000000, 0.0003492700000000, -0.0004389700000000 ] - [ 0.0014769200000000, 0.0039021700000000, -0.0073862200000000 ] - [ 0.0009463100000000, -0.0011823300000000, -0.0013052900000000 ] - [ -0.0000110100000000, -0.0000705400000000, -0.0002718600000000 ] - [ 0.0002028000000000, -0.0001657400000000, -0.0011512500000000 ] - [ 0.0009646400000000, 0.0007742600000000, -0.0021852800000000 ] - [ 0.0019439400000000, -0.0006210300000000, -0.0035113300000000 ] - [ -0.0037088900000000, -0.0087426700000000, 0.0171286700000000 ] - [ 0.0000526000000000, 0.0008157300000000, 0.0013273200000000 ] - [ -0.0016594300000000, 0.0000617900000000, 0.0017147100000000 ] - [ -0.0005752900000000, -0.0004847900000000, 0.0009916600000000 ] - [ 0.0038837500000000, -0.0050192900000000, -0.0069666300000000 ] - [ 0.0004711300000000, 0.0006969400000000, -0.0001088100000000 ] - [ 0.0012508200000000, 0.0009095200000000, -0.0044712500000000 ] - [ -0.0002892200000000, -0.0003865000000000, -0.0011159900000000 ] - [ 0.0031920800000000, -0.0002111000000000, 0.0023640200000000 ] - [ -0.0000934400000000, -0.0002277000000000, -0.0002987600000000 ] - [ 0.0007491700000000, -0.0001308300000000, 0.0003121900000000 ] - [ 0.0011068500000000, 0.0002981700000000, 0.0010220200000000 ] - [ 0.0006454200000000, -0.0016276500000000, 0.0019154500000000 ] - [ 0.0014278300000000, 0.0040723600000000, 0.0026773800000000 ] - [ 0.0012237000000000, -0.0001363400000000, -0.0011416900000000 ] - [ 0.0006353100000000, -0.0000621400000000, -0.0007855200000000 ] - [ 0.0015667800000000, 0.0026096300000000, -0.0045121700000000 ] - [ 0.0012298000000000, -0.0024952500000000, -0.0024313400000000 ] - [ -0.0013156400000000, -0.0004018500000000, -0.0050674200000000 ] - [ -0.0004547000000000, 0.0004088700000000, 0.0001602100000000 ] - [ -0.0018468500000000, -0.0005837700000000, 0.0039911700000000 ] - [ -0.0012119800000000, 0.0010998100000000, 0.0011476000000000 ] - [ -0.0076198900000000, 0.0048035600000000, 0.0112257600000000 ] - [ -0.0010103500000000, 0.0004743500000000, 0.0040045300000000 ] - [ 0.0042451400000000, -0.0010254500000000, -0.0067552300000000 ] - [ 0.0006776100000000, -0.0008845600000000, -0.0006640000000000 ] - [ 0.0025558800000000, -0.0002723500000000, -0.0046460400000000 ] - [ 0.0002589400000000, -0.0002108900000000, -0.0008140700000000 ] - [ 0.0008412600000000, 0.0008331600000000, 0.0003082100000000 ] - [ 0.0005246900000000, -0.0005209800000000, 0.0003355900000000 ] - [ 0.0011820500000000, 0.0002924500000000, -0.0004526300000000 ] - [ 0.0010253600000000, 0.0000689500000000, -0.0005246200000000 ] - [ -0.0033822600000000, 0.0002743000000000, 0.0018179200000000 ] - [ -0.0008124200000000, -0.0001224200000000, 0.0009711600000000 ] - [ -0.0006949600000000, 0.0001229500000000, -0.0021776400000000 ] - [ -0.0000303000000000, -0.0007972000000000, -0.0005936400000000 ] - [ 0.0023102200000000, 0.0024411700000000, 0.0193880400000000 ] - [ -0.0003273500000000, 0.0000947300000000, 0.0009739200000000 ] - [ 0.0001427800000000, -0.0005510400000000, 0.0017688500000000 ] - [ 0.0001361300000000, -0.0001955100000000, -0.0000277100000000 ] - [ 0.0011000700000000, -0.0002876000000000, -0.0011481700000000 ] - [ 0.0005429000000000, -0.0001061800000000, -0.0005974500000000 ] - [ 0.0063185800000000, 0.0056546600000000, -0.0047118500000000 ] - [ -0.0003454100000000, -0.0004642400000000, -0.0001547400000000 ] - [ -0.0001363400000000, 0.0000788100000000, 0.0002723900000000 ] - [ 0.0001961800000000, 0.0000717300000000, 0.0003553900000000 ] - [ -0.0018462400000000, 0.0005319000000000, -0.0021592100000000 ] - [ -0.0014030700000000, -0.0005960100000000, -0.0011735900000000 ] - [ -0.0007220800000000, 0.0021075300000000, 0.0012591700000000 ] - [ -0.0016273200000000, -0.0005092000000000, 0.0033596900000000 ] - [ -0.0267838000000000, 0.0018935600000000, 0.0270816800000000 ] - [ 0.0004547000000000, 0.0000996000000000, 0.0006011800000000 ] - [ 0.0060430900000000, 0.0028964000000000, 0.0070697100000000 ] - [ -0.0004063900000000, -0.0001960300000000, 0.0008213200000000 ] - [ 0.0004511200000000, 0.0004517600000000, 0.0007338100000000 ] - [ -0.0015996300000000, -0.0136628700000000, 0.0011492000000000 ] - [ -0.0002040800000000, 0.0001180900000000, 0.0006983700000000 ] - [ 0.0002442400000000, 0.0000639700000000, -0.0004582400000000 ] - [ -0.0024041600000000, -0.0026410900000000, -0.0030559700000000 ] - [ -0.0006582500000000, 0.0014717200000000, -0.0006777600000000 ] - [ 0.0092363100000000, -0.0032572600000000, -0.0012078300000000 ] - [ 0.0002679300000000, 0.0009338200000000, -0.0004447800000000 ] - [ 0.0019239100000000, 0.0007048800000000, -0.0000501700000000 ] - [ 0.0004063500000000, 0.0004411200000000, 0.0000571000000000 ] - [ -0.0008922400000000, -0.0002361200000000, 0.0006332400000000 ] - [ -0.0003816900000000, -0.0001054400000000, 0.0003818300000000 ] - [ -0.0028755100000000, -0.0056761400000000, -0.0015618500000000 ] - [ -0.0008434000000000, 0.0019889600000000, -0.0003033700000000 ] - [ 0.0041810900000000, 0.0119921100000000, 0.0176111700000000 ] - [ -0.0002252300000000, -0.0013921300000000, 0.0003310900000000 ] - [ -0.0041155900000000, 0.0003160800000000, 0.0069152700000000 ] - [ -0.0006425500000000, 0.0004277400000000, 0.0022157300000000 ] - [ -0.0031094800000000, 0.0005623800000000, 0.0003729400000000 ] - [ -0.0004294600000000, 0.0003330400000000, 0.0000022100000000 ] - [ -0.0006276100000000, 0.0008191900000000, -0.0008830400000000 ] - [ -0.0003570300000000, -0.0009167000000000, -0.0038046500000000 ] - [ 0.0000690900000000, -0.0012697900000000, 0.0040311900000000 ] - [ 0.0000439500000000, -0.0005759600000000, 0.0014710700000000 ] - [ 0.0025152400000000, -0.0002758400000000, -0.0007823500000000 ] - [ 0.0011487400000000, -0.0002429100000000, -0.0005809100000000 ] - [ 0.0019456700000000, -0.0029487300000000, -0.0024421300000000 ] - [ 0.0031061600000000, 0.0057192300000000, -0.0183331800000000 ] - [ -0.0356046500000000, -0.0065723900000000, 0.0015184800000000 ] - [ -0.0002218300000000, 0.0003328900000000, 0.0002400400000000 ] - [ 0.0914922700000000, -0.0052522400000000, -0.1464924400000000 ] - [ 0.0004053000000000, -0.0001650200000000, -0.0010170400000000 ] - [ 0.0045886800000000, -0.0002612900000000, -0.0223964800000000 ] - [ 0.0007677100000000, 0.0002435600000000, -0.0007227500000000 ] - [ -0.0019137700000000, -0.0000722900000000, 0.0044042700000000 ] - [ -0.0006319400000000, 0.0006176000000000, 0.0013990200000000 ] - [ -0.0064926000000000, -0.0019247600000000, 0.0114286700000000 ] - [ -0.0011692700000000, 0.0000978000000000, 0.0020970300000000 ] - [ -0.0000262600000000, 0.0118440200000000, 0.0403273100000000 ] - [ -0.0003607100000000, -0.0005353100000000, -0.0000720100000000 ] - [ -0.0183636200000000, -0.0061966200000000, 0.0125755100000000 ] - [ -0.0008681600000000, 0.0008648200000000, 0.0007422200000000 ] - [ 0.0054078500000000, -0.0127195100000000, 0.0043067700000000 ] - [ 0.0031244600000000, 0.0047764600000000, 0.0012280400000000 ] - [ -0.0091328700000000, 0.0235305200000000, 0.0007025700000000 ] - [ 0.0002956700000000, -0.0041777600000000, -0.0009995200000000 ] - [ -0.0013383400000000, 0.0000142400000000, 0.0004991300000000 ] - [ -0.0012854400000000, 0.0000421700000000, 0.0005343700000000 ] - [ -0.0023692900000000, -0.0040594300000000, 0.0005359200000000 ] - [ -0.0020558400000000, 0.0040189100000000, 0.0007360300000000 ] - [ 0.0101660200000000, -0.0116112200000000, 0.0087277600000000 ] - [ 0.0006000000000000, 0.0020411800000000, -0.0010929600000000 ] - [ 0.0019178500000000, -0.0000251000000000, -0.0001489300000000 ] - [ 0.0004464300000000, 0.0002446200000000, -0.0004459500000000 ] - [ 0.0009715300000000, 0.0012728500000000, 0.0015611900000000 ] - [ -0.0000197400000000, -0.0006045400000000, 0.0001639900000000 ] - [ 0.0031953300000000, -0.0006291600000000, -0.0044883700000000 ] - [ 0.0007467100000000, -0.0003395300000000, -0.0010730800000000 ] - [ -0.0033230500000000, -0.0004380500000000, 0.0050809000000000 ] - [ -0.0005505300000000, 0.0001304200000000, 0.0013333600000000 ] - [ -0.0014560000000000, 0.0022806600000000, -0.0043115700000000 ] - [ -0.0000032400000000, -0.0000739500000000, -0.0007904900000000 ]- atom: 97 displacement: [ 0.0053469176449015, 0.0000000000000000, -0.0084504716849795 ] forces: - [ 0.0331156400000000, -0.0028141800000000, -0.0209737400000000 ] - [ 0.0006155500000000, 0.0000643500000000, -0.0007387100000000 ] - [ 0.0108106900000000, -0.0002776200000000, -0.0187167700000000 ] - [ 0.0002573700000000, 0.0006686300000000, -0.0002670600000000 ] - [ -0.0053809800000000, 0.0026167900000000, 0.0059872200000000 ] - [ -0.0010389600000000, -0.0007725300000000, 0.0010584700000000 ] - [ -0.0011054500000000, -0.0042929800000000, 0.0067253100000000 ] - [ -0.0005619300000000, 0.0007530400000000, 0.0006899000000000 ] - [ -0.0007642200000000, 0.0000192200000000, 0.0008370900000000 ] - [ -0.0009700500000000, 0.0000956400000000, 0.0017189000000000 ] - [ -0.0001936600000000, -0.0008182900000000, 0.0016081000000000 ] - [ -0.0011643000000000, 0.0005417000000000, 0.0029382300000000 ] - [ 0.0044121400000000, 0.0089101400000000, -0.0175879200000000 ] - [ 0.0007121700000000, -0.0007799800000000, -0.0019195200000000 ] - [ 0.0008807400000000, -0.0000029700000000, -0.0011328100000000 ] - [ -0.0001955200000000, 0.0005436300000000, -0.0004045900000000 ] - [ -0.0029630600000000, 0.0050692400000000, 0.0078897400000000 ] - [ 0.0004269100000000, -0.0007023400000000, 0.0009763000000000 ] - [ -0.0020866600000000, -0.0009143800000000, 0.0036043800000000 ] - [ -0.0005755400000000, 0.0003896100000000, 0.0002457500000000 ] - [ -0.0040458200000000, 0.0002175200000000, -0.0032317400000000 ] - [ -0.0007869700000000, 0.0002251800000000, -0.0005737200000000 ] - [ 0.0001252400000000, 0.0001325200000000, 0.0005587200000000 ] - [ -0.0002213600000000, -0.0002924300000000, -0.0001545200000000 ] - [ -0.0016273300000000, 0.0014140400000000, -0.0007824400000000 ] - [ -0.0024104800000000, -0.0042937000000000, -0.0015413300000000 ] - [ -0.0002325800000000, -0.0000793800000000, 0.0000001200000000 ] - [ 0.0003476700000000, -0.0001637900000000, -0.0003541300000000 ] - [ -0.0005987300000000, -0.0024146200000000, 0.0033641800000000 ] - [ -0.0002514000000000, 0.0027238800000000, 0.0012821500000000 ] - [ 0.0003585200000000, 0.0006163400000000, 0.0061585500000000 ] - [ -0.0005254600000000, -0.0001843600000000, 0.0009705900000000 ] - [ 0.0015785000000000, 0.0013029400000000, -0.0044416200000000 ] - [ 0.0009449700000000, -0.0003945100000000, -0.0016090700000000 ] - [ 0.0078617000000000, -0.0038852800000000, -0.0106610900000000 ] - [ 0.0013064200000000, 0.0002850700000000, -0.0035203000000000 ] - [ -0.0039549800000000, 0.0003001900000000, 0.0071901800000000 ] - [ -0.0004040400000000, 0.0001661900000000, 0.0011229200000000 ] - [ -0.0028267600000000, -0.0004455400000000, 0.0041659300000000 ] - [ -0.0005316500000000, -0.0005000200000000, 0.0003520700000000 ] - [ -0.0004422300000000, -0.0004047100000000, -0.0009291800000000 ] - [ -0.0001425000000000, 0.0009424400000000, -0.0009413900000000 ] - [ -0.0015607000000000, 0.0001469400000000, 0.0010794700000000 ] - [ -0.0014085500000000, 0.0003555400000000, 0.0011346700000000 ] - [ 0.0029680100000000, -0.0006946000000000, -0.0011971200000000 ] - [ 0.0004120200000000, -0.0003104900000000, -0.0003495100000000 ] - [ 0.0010819300000000, -0.0005483400000000, 0.0015349400000000 ] - [ 0.0004117500000000, 0.0003507700000000, -0.0000304500000000 ] - [ -0.0035133800000000, -0.0026055400000000, -0.0194509700000000 ] - [ -0.0004501000000000, -0.0001484400000000, -0.0003949800000000 ] - [ 0.0006277800000000, 0.0004940500000000, -0.0023410000000000 ] - [ 0.0006421800000000, 0.0001473800000000, -0.0005555900000000 ] - [ -0.0003207200000000, 0.0003491600000000, 0.0005535200000000 ] - [ 0.0002355300000000, 0.0001480600000000, 0.0000109100000000 ] - [ -0.0070591400000000, -0.0055798100000000, 0.0052786300000000 ] - [ -0.0004343500000000, 0.0005112600000000, 0.0007427000000000 ] - [ 0.0009913900000000, -0.0000782400000000, 0.0005975200000000 ] - [ 0.0006818000000000, -0.0000688000000000, 0.0005143700000000 ] - [ 0.0009623000000000, -0.0005272100000000, 0.0012918000000000 ] - [ 0.0005167800000000, 0.0005876300000000, 0.0003035400000000 ] - [ -0.0001973200000000, -0.0021053600000000, -0.0021130600000000 ] - [ 0.0007106300000000, 0.0005158700000000, -0.0041945300000000 ] - [ 0.0253247900000000, -0.0016894800000000, -0.0244846100000000 ] - [ 0.0004253900000000, -0.0001026000000000, 0.0002763300000000 ] - [ -0.0069726800000000, -0.0030845300000000, -0.0058673700000000 ] - [ -0.0005833500000000, -0.0000254600000000, 0.0003166600000000 ] - [ 0.0005145700000000, -0.0006986500000000, -0.0018343500000000 ] - [ 0.0025322400000000, 0.0133499500000000, -0.0022062300000000 ] - [ 0.0011746100000000, 0.0001018800000000, -0.0018392200000000 ] - [ 0.0007312300000000, 0.0001625800000000, -0.0006766600000000 ] - [ 0.0014112800000000, 0.0028336400000000, 0.0041871800000000 ] - [ -0.0003169600000000, -0.0012400500000000, 0.0018347100000000 ] - [ -0.0094653800000000, 0.0039500900000000, 0.0007337400000000 ] - [ -0.0005452600000000, -0.0002161500000000, -0.0000139800000000 ] - [ -0.0016434300000000, 0.0000090900000000, 0.0005086500000000 ] - [ -0.0001259100000000, 0.0002733600000000, 0.0004033700000000 ] - [ 0.0011486400000000, -0.0004667300000000, -0.0001707700000000 ] - [ 0.0006582100000000, -0.0006191600000000, 0.0000725800000000 ] - [ 0.0026117800000000, 0.0049357200000000, 0.0010876300000000 ] - [ 0.0005745500000000, -0.0026844200000000, -0.0001706600000000 ] - [ -0.0044678600000000, -0.0125594200000000, -0.0170063600000000 ] - [ 0.0000991800000000, 0.0007712700000000, 0.0002632000000000 ] - [ 0.0042215100000000, -0.0009038800000000, -0.0075060600000000 ] - [ 0.0007609800000000, -0.0010567400000000, -0.0027958300000000 ] - [ 0.0032147200000000, 0.0000568200000000, -0.0009560100000000 ] - [ 0.0005470600000000, 0.0002816300000000, -0.0005868200000000 ] - [ 0.0005011100000000, -0.0001951200000000, 0.0014694400000000 ] - [ 0.0002339800000000, 0.0015287300000000, 0.0043909400000000 ] - [ -0.0001774700000000, 0.0006533500000000, -0.0034291100000000 ] - [ -0.0001611200000000, -0.0000405900000000, -0.0008861800000000 ] - [ -0.0023882500000000, -0.0003370900000000, 0.0001923600000000 ] - [ -0.0010226900000000, -0.0003727000000000, -0.0000053900000000 ] - [ -0.0017413600000000, 0.0036689500000000, 0.0018399000000000 ] - [ -0.0029206200000000, -0.0052061200000000, 0.0175850000000000 ] - [ 0.0351307500000000, 0.0071503700000000, -0.0008828200000000 ] - [ 0.0001114700000000, 0.0002835300000000, 0.0003415600000000 ] - [ -0.0915042800000000, 0.0050652200000000, 0.1447011600000000 ] - [ -0.0007013600000000, 0.0000590900000000, 0.0010908500000000 ] - [ -0.0043614800000000, 0.0001744500000000, 0.0222406000000000 ] - [ -0.0004726200000000, -0.0003265700000000, 0.0006555300000000 ] - [ 0.0022193500000000, 0.0001626400000000, -0.0044555400000000 ] - [ 0.0009290500000000, -0.0005170000000000, -0.0014678900000000 ] - [ 0.0062062900000000, 0.0019936500000000, -0.0113303200000000 ] - [ 0.0008727100000000, 0.0000093300000000, -0.0020165800000000 ] - [ 0.0002238500000000, -0.0118760500000000, -0.0407594100000000 ] - [ 0.0005225800000000, 0.0002845600000000, -0.0009153800000000 ] - [ 0.0182700300000000, 0.0059240300000000, -0.0115540800000000 ] - [ 0.0007099500000000, -0.0011163500000000, 0.0002408400000000 ] - [ -0.0055106600000000, 0.0128994300000000, -0.0033782000000000 ] - [ -0.0032785300000000, -0.0045112900000000, -0.0002596800000000 ] - [ 0.0093299600000000, -0.0233811200000000, -0.0015985000000000 ] - [ -0.0001738900000000, 0.0044345000000000, 0.0000387500000000 ] - [ 0.0010442800000000, -0.0001025700000000, -0.0004212500000000 ] - [ 0.0009883900000000, -0.0001300700000000, -0.0004526000000000 ] - [ 0.0026555400000000, 0.0039408000000000, -0.0006230300000000 ] - [ 0.0023405900000000, -0.0040845400000000, -0.0008191100000000 ] - [ -0.0099263200000000, 0.0116660000000000, -0.0087253800000000 ] - [ -0.0003108000000000, -0.0019503600000000, 0.0010293300000000 ] - [ -0.0021984500000000, 0.0001182300000000, 0.0002190800000000 ] - [ -0.0007409400000000, -0.0001552000000000, 0.0005133500000000 ] - [ -0.0008116900000000, -0.0015151900000000, -0.0025415600000000 ] - [ 0.0001678000000000, 0.0003433900000000, -0.0011444100000000 ] - [ -0.0033244700000000, 0.0003761600000000, 0.0054553600000000 ] - [ -0.0008944100000000, 0.0000781500000000, 0.0020505400000000 ] - [ 0.0031251800000000, 0.0006832600000000, -0.0040912400000000 ] - [ 0.0003813600000000, 0.0001227200000000, -0.0003501900000000 ] - [ 0.0016159400000000, -0.0020122700000000, 0.0033044600000000 ] - [ 0.0001619200000000, 0.0003263300000000, -0.0001983000000000 ]- atom: 105 displacement: [ 0.0099999779436379, 0.0000000000000000, 0.0000210030177685 ] forces: - [ 0.0005223000000000, 0.0005152500000000, 0.0066064300000000 ] - [ 0.0004637500000000, 0.0005232900000000, 0.0004567500000000 ] - [ 0.0395340300000000, -0.0138549200000000, -0.0164508000000000 ] - [ 0.0003211600000000, -0.0012222600000000, 0.0008695300000000 ] - [ 0.0029218600000000, -0.0019527100000000, 0.0042688300000000 ] - [ 0.0018858700000000, 0.0002734400000000, 0.0010134900000000 ] - [ 0.0199445100000000, -0.0045657400000000, -0.0005743100000000 ] - [ 0.0042692500000000, -0.0021406500000000, -0.0005028200000000 ] - [ -0.0003279800000000, 0.0002926900000000, -0.0004492400000000 ] - [ -0.0009005200000000, -0.0024391500000000, -0.0060904300000000 ] - [ 0.0000452800000000, -0.0031462100000000, -0.0005682900000000 ] - [ -0.0067303400000000, 0.0118964800000000, -0.0002591900000000 ] - [ 0.0015938400000000, 0.0000353800000000, 0.0012973300000000 ] - [ 0.0008701000000000, 0.0002778900000000, 0.0002482800000000 ] - [ -0.0048010500000000, -0.0028746300000000, 0.0016236900000000 ] - [ -0.0008633400000000, 0.0006835400000000, 0.0001790100000000 ] - [ -0.0010219200000000, -0.0013460000000000, 0.0026215900000000 ] - [ -0.0002312500000000, 0.0011484200000000, 0.0014503400000000 ] - [ -0.0091383400000000, 0.0010385000000000, 0.0005954500000000 ] - [ -0.0010573100000000, -0.0002765900000000, -0.0001954500000000 ] - [ -0.0023364000000000, -0.0002200600000000, 0.0020823300000000 ] - [ -0.0005831100000000, -0.0000870100000000, -0.0002380100000000 ] - [ -0.0009927800000000, 0.0002532500000000, 0.0004021700000000 ] - [ -0.0015455200000000, -0.0008689600000000, 0.0006656700000000 ] - [ -0.0005333400000000, 0.0005521800000000, 0.0018068100000000 ] - [ 0.0000366800000000, -0.0003845100000000, 0.0035819000000000 ] - [ -0.0010023000000000, -0.0004355600000000, -0.0014296900000000 ] - [ -0.0000797600000000, -0.0002508500000000, -0.0010806200000000 ] - [ -0.0000533700000000, 0.0062625000000000, 0.0081380500000000 ] - [ 0.0007640700000000, -0.0003828000000000, 0.0005740500000000 ] - [ -0.0021887300000000, -0.0007854000000000, 0.0007325400000000 ] - [ -0.0011025400000000, 0.0002559700000000, 0.0003798500000000 ] - [ -0.0018643200000000, 0.0044143100000000, 0.0013673200000000 ] - [ -0.0005794400000000, -0.0008344800000000, 0.0012333600000000 ] - [ 0.0024121900000000, 0.0023605800000000, 0.0027156600000000 ] - [ 0.0002340000000000, 0.0000467700000000, 0.0018345100000000 ] - [ 0.0141353400000000, 0.0017115800000000, -0.0002131600000000 ] - [ 0.0010616200000000, 0.0000474800000000, 0.0005121700000000 ] - [ 0.0111394300000000, 0.0035889900000000, -0.0085281900000000 ] - [ 0.0003769100000000, -0.0007237800000000, -0.0004503000000000 ] - [ -0.0007922400000000, -0.0002753400000000, -0.0012383800000000 ] - [ -0.0016213100000000, 0.0004158900000000, -0.0024778100000000 ] - [ -0.0017647800000000, -0.0001806500000000, 0.0001390700000000 ] - [ -0.0030865100000000, 0.0011145300000000, -0.0006494800000000 ] - [ -0.0023684400000000, -0.0001231200000000, -0.0011371700000000 ] - [ -0.0007163800000000, -0.0004775100000000, -0.0002136500000000 ] - [ -0.0033408400000000, 0.0001037200000000, -0.0001594400000000 ] - [ -0.0007041600000000, -0.0001884000000000, -0.0002681900000000 ] - [ 0.0005718500000000, 0.0002799900000000, 0.0024046600000000 ] - [ -0.0005261400000000, 0.0003071800000000, 0.0008224600000000 ] - [ -0.0025298000000000, 0.0008931400000000, -0.0023513700000000 ] - [ -0.0002355200000000, -0.0004733300000000, -0.0002637100000000 ] - [ -0.0001522000000000, 0.0008672000000000, -0.0009905900000000 ] - [ 0.0000066900000000, -0.0005612600000000, -0.0011662500000000 ] - [ -0.0048423300000000, -0.0053208900000000, -0.0012768900000000 ] - [ -0.0002003200000000, 0.0022924800000000, -0.0006838900000000 ] - [ -0.0045395800000000, 0.0007085000000000, -0.0042248000000000 ] - [ 0.0000455700000000, 0.0001310000000000, -0.0000422300000000 ] - [ -0.0015309700000000, 0.0031332900000000, -0.0030269600000000 ] - [ -0.0020858600000000, -0.0023169400000000, -0.0010999300000000 ] - [ 0.0007740200000000, -0.0010988100000000, -0.0012189900000000 ] - [ 0.0018133800000000, 0.0006609200000000, -0.0007686300000000 ] - [ 0.0202848600000000, 0.0016983300000000, 0.0048383600000000 ] - [ 0.0016589500000000, 0.0002584500000000, 0.0004794300000000 ] - [ -0.0039609200000000, -0.0016184900000000, -0.0042696600000000 ] - [ -0.0006006500000000, 0.0000999100000000, -0.0002705500000000 ] - [ 0.0022429700000000, 0.0007130100000000, 0.0003368700000000 ] - [ 0.0117250600000000, -0.0001291100000000, 0.0020866500000000 ] - [ -0.0012107600000000, 0.0005065300000000, -0.0031552900000000 ] - [ -0.0002592500000000, -0.0001744200000000, -0.0015355400000000 ] - [ 0.0206242300000000, 0.0105786900000000, 0.0071906800000000 ] - [ 0.0005089400000000, 0.0009863300000000, -0.0005611300000000 ] - [ -0.0056666000000000, 0.0018009900000000, -0.0029762200000000 ] - [ -0.0004158600000000, -0.0001698300000000, -0.0007157600000000 ] - [ -0.0016100300000000, 0.0004851400000000, -0.0012534000000000 ] - [ -0.0003199200000000, 0.0001339700000000, -0.0001242500000000 ] - [ -0.0015467800000000, 0.0007338800000000, -0.0003398600000000 ] - [ -0.0013262900000000, -0.0010490900000000, -0.0002641300000000 ] - [ -0.0008951400000000, -0.0008595300000000, -0.0001880800000000 ] - [ -0.0009130200000000, 0.0000156400000000, -0.0001838500000000 ] - [ 0.0022692500000000, 0.0004164200000000, -0.0007288100000000 ] - [ 0.0012511200000000, -0.0010432500000000, -0.0000342200000000 ] - [ 0.0223447400000000, -0.0168677600000000, -0.0120999700000000 ] - [ 0.0004239800000000, 0.0010309800000000, -0.0018287100000000 ] - [ 0.0025277100000000, -0.0002718200000000, 0.0016074400000000 ] - [ 0.0004655000000000, 0.0008466500000000, 0.0004621000000000 ] - [ 0.0018202200000000, -0.0018809400000000, -0.0005417500000000 ] - [ 0.0017788900000000, 0.0035032900000000, -0.0036001500000000 ] - [ 0.0076668700000000, 0.0045757300000000, 0.0260350800000000 ] - [ 0.0000003700000000, -0.0006370000000000, 0.0008212000000000 ] - [ 0.0046439500000000, -0.0023409200000000, 0.0028938700000000 ] - [ 0.0022991800000000, 0.0007558000000000, 0.0005133500000000 ] - [ -0.0029640900000000, 0.0002373200000000, -0.0007522300000000 ] - [ -0.0036212800000000, -0.0012235300000000, -0.0032191300000000 ] - [ 0.0185163900000000, 0.0067643900000000, 0.0118919900000000 ] - [ -0.0012697600000000, -0.0005073800000000, 0.0015829900000000 ] - [ -0.0205712600000000, 0.0004827900000000, -0.0128720200000000 ] - [ -0.0010180000000000, 0.0001676300000000, -0.0010313000000000 ] - [ 0.0186414200000000, -0.0019360300000000, -0.0100400400000000 ] - [ 0.0003769800000000, 0.0004703700000000, -0.0008226800000000 ] - [ -0.0055964800000000, -0.0059640500000000, 0.0027986700000000 ] - [ -0.0021989600000000, 0.0050323900000000, 0.0022527200000000 ] - [ 0.0050308400000000, 0.0237444600000000, -0.0075673300000000 ] - [ -0.0042162700000000, -0.0069160600000000, -0.0022575300000000 ] - [ -0.1475497200000000, -0.0149709600000000, 0.0138697000000000 ] - [ -0.0017772200000000, 0.0002703800000000, -0.0004993200000000 ] - [ -0.0075748500000000, 0.0009194100000000, -0.0130077900000000 ] - [ -0.0009485400000000, -0.0001283600000000, -0.0004025300000000 ] - [ -0.0069773300000000, -0.0156158600000000, 0.0039188600000000 ] - [ -0.0010219900000000, 0.0117727100000000, -0.0046667300000000 ] - [ 0.0003738500000000, -0.0002829200000000, -0.0048900300000000 ] - [ -0.0006104800000000, -0.0018805600000000, -0.0046057500000000 ] - [ 0.0013751100000000, -0.0003123200000000, 0.0008917400000000 ] - [ 0.0028738100000000, -0.0001407600000000, 0.0030096200000000 ] - [ 0.0017953800000000, 0.0040421000000000, 0.0019680200000000 ] - [ 0.0045412200000000, -0.0045651000000000, 0.0065666100000000 ] - [ 0.0038257700000000, -0.0003928500000000, -0.0014984000000000 ] - [ 0.0006749500000000, 0.0002096100000000, -0.0002518200000000 ] - [ 0.0068869200000000, 0.0015843100000000, 0.0026629800000000 ] - [ 0.0010292300000000, -0.0002341700000000, 0.0006832800000000 ] - [ 0.0026631700000000, 0.0000242100000000, -0.0002331800000000 ] - [ 0.0026530900000000, -0.0003808800000000, -0.0001356000000000 ] - [ 0.0009638800000000, 0.0009418200000000, 0.0031829500000000 ] - [ 0.0009653600000000, -0.0003989500000000, 0.0019182000000000 ] - [ 0.0062112300000000, 0.0004639100000000, 0.0018692200000000 ] - [ 0.0011086700000000, 0.0002356000000000, 0.0007230800000000 ] - [ 0.0039991400000000, -0.0013614300000000, 0.0053987400000000 ] - [ 0.0008255400000000, 0.0004734000000000, 0.0006359000000000 ]- atom: 105 displacement: [ -0.0099999779436379, 0.0000000000000000, -0.0000210030177685 ] forces: - [ -0.0001265500000000, -0.0000918600000000, -0.0072337800000000 ] - [ -0.0000643400000000, -0.0001157000000000, -0.0010781100000000 ] - [ -0.0382802100000000, 0.0131099700000000, 0.0155873100000000 ] - [ -0.0007065300000000, 0.0016497500000000, -0.0002617800000000 ] - [ -0.0033400600000000, 0.0015405600000000, -0.0036582900000000 ] - [ -0.0022963800000000, -0.0006894100000000, -0.0003962700000000 ] - [ -0.0196002200000000, 0.0042325600000000, -0.0000620900000000 ] - [ -0.0039021200000000, 0.0017406000000000, -0.0000991200000000 ] - [ -0.0004446300000000, -0.0003555700000000, 0.0010307100000000 ] - [ 0.0001362400000000, 0.0024010000000000, 0.0067190600000000 ] - [ 0.0007256100000000, 0.0031038200000000, -0.0000150900000000 ] - [ 0.0075658300000000, -0.0120859100000000, -0.0003384700000000 ] - [ -0.0008209000000000, 0.0000050200000000, -0.0019325600000000 ] - [ -0.0000980800000000, -0.0002205600000000, -0.0008422200000000 ] - [ 0.0039916500000000, 0.0029032900000000, -0.0010230700000000 ] - [ 0.0000886700000000, -0.0006318900000000, 0.0004166300000000 ] - [ 0.0019150000000000, 0.0013445900000000, -0.0017550000000000 ] - [ 0.0011438700000000, -0.0011674800000000, -0.0005849300000000 ] - [ 0.0082958600000000, -0.0010429100000000, -0.0014908700000000 ] - [ 0.0001732800000000, 0.0002721000000000, -0.0006780200000000 ] - [ 0.0014410800000000, 0.0002257900000000, -0.0029469800000000 ] - [ -0.0003117400000000, 0.0000941100000000, -0.0006354000000000 ] - [ 0.0018843500000000, -0.0002433600000000, 0.0004747000000000 ] - [ 0.0024491500000000, 0.0008768600000000, 0.0002124400000000 ] - [ -0.0004482400000000, -0.0007707000000000, -0.0006801300000000 ] - [ -0.0010211800000000, 0.0001585000000000, -0.0024468200000000 ] - [ 0.0019939200000000, 0.0002182600000000, 0.0003173700000000 ] - [ 0.0010652700000000, 0.0000183800000000, -0.0000344400000000 ] - [ 0.0010395300000000, -0.0060642200000000, -0.0093250100000000 ] - [ 0.0002133200000000, 0.0006093800000000, -0.0017051900000000 ] - [ 0.0012123200000000, 0.0010234300000000, 0.0003812300000000 ] - [ 0.0001198800000000, -0.0000328800000000, 0.0007420400000000 ] - [ 0.0015960000000000, -0.0036917900000000, -0.0018241900000000 ] - [ 0.0003189400000000, 0.0015366900000000, -0.0017011400000000 ] - [ -0.0021326800000000, -0.0016434600000000, -0.0022598100000000 ] - [ 0.0000805600000000, 0.0007299600000000, -0.0014149800000000 ] - [ -0.0151321400000000, -0.0025823600000000, 0.0015054000000000 ] - [ -0.0007911200000000, -0.0007723300000000, -0.0000534700000000 ] - [ -0.0113258600000000, -0.0043159500000000, 0.0082201500000000 ] - [ -0.0006532000000000, 0.0000133000000000, -0.0000081900000000 ] - [ 0.0011972200000000, 0.0006963900000000, 0.0006204400000000 ] - [ 0.0020154500000000, -0.0000049900000000, 0.0018824400000000 ] - [ 0.0013819500000000, 0.0006131800000000, 0.0004852800000000 ] - [ 0.0027097500000000, -0.0007019900000000, 0.0012627400000000 ] - [ 0.0019755200000000, -0.0003021900000000, 0.0017451400000000 ] - [ 0.0003197000000000, 0.0000594000000000, 0.0008280900000000 ] - [ 0.0037363900000000, -0.0005298200000000, -0.0004653700000000 ] - [ 0.0010935700000000, -0.0002432700000000, -0.0003466000000000 ] - [ -0.0013537700000000, -0.0003252400000000, -0.0018194600000000 ] - [ -0.0002621400000000, -0.0003519600000000, -0.0002398700000000 ] - [ 0.0032932900000000, -0.0009405200000000, 0.0017722600000000 ] - [ 0.0010288400000000, 0.0004365500000000, -0.0003316200000000 ] - [ 0.0009469800000000, -0.0008170100000000, 0.0004145800000000 ] - [ 0.0007791100000000, 0.0006054000000000, 0.0005819800000000 ] - [ 0.0040721900000000, 0.0054097800000000, 0.0018878900000000 ] - [ -0.0005876200000000, -0.0022658400000000, 0.0012851400000000 ] - [ 0.0054542700000000, -0.0007294800000000, 0.0050860800000000 ] - [ 0.0008561700000000, -0.0001335700000000, 0.0009171100000000 ] - [ 0.0006445500000000, -0.0031058800000000, 0.0021404500000000 ] - [ 0.0012146900000000, 0.0023253800000000, 0.0002351400000000 ] - [ -0.0016744900000000, 0.0011088700000000, 0.0003453300000000 ] - [ -0.0027451300000000, -0.0006540500000000, -0.0001159200000000 ] - [ -0.0197091800000000, -0.0019302600000000, -0.0045299500000000 ] - [ -0.0007709600000000, -0.0002519100000000, 0.0003967200000000 ] - [ 0.0029629900000000, 0.0013998400000000, 0.0054040500000000 ] - [ -0.0003922200000000, -0.0003280100000000, 0.0013867600000000 ] - [ -0.0012654300000000, -0.0009311700000000, -0.0014684600000000 ] - [ -0.0107558100000000, -0.0001691000000000, -0.0031412300000000 ] - [ 0.0021887400000000, -0.0002828000000000, 0.0020240800000000 ] - [ 0.0012451900000000, 0.0004059200000000, 0.0004235900000000 ] - [ -0.0211321300000000, -0.0096238900000000, -0.0056476600000000 ] - [ -0.0014800700000000, -0.0007581400000000, 0.0016997900000000 ] - [ 0.0054108400000000, -0.0010875600000000, 0.0025419700000000 ] - [ 0.0001315700000000, 0.0008966700000000, 0.0002577400000000 ] - [ 0.0018969700000000, 0.0002282300000000, 0.0017242100000000 ] - [ 0.0006049400000000, 0.0005866500000000, 0.0005869300000000 ] - [ 0.0018099400000000, -0.0014359900000000, 0.0008014900000000 ] - [ 0.0016145200000000, 0.0003139600000000, 0.0007186300000000 ] - [ 0.0006156200000000, 0.0001422900000000, -0.0002736900000000 ] - [ 0.0006455700000000, -0.0007243600000000, -0.0002880400000000 ] - [ -0.0023928400000000, -0.0010372700000000, 0.0013252500000000 ] - [ -0.0013705800000000, 0.0004344900000000, 0.0006276100000000 ] - [ -0.0224453500000000, 0.0163549500000000, 0.0117037800000000 ] - [ -0.0003006700000000, -0.0016506700000000, 0.0012519600000000 ] - [ -0.0024147100000000, 0.0008872300000000, -0.0022192200000000 ] - [ -0.0003482300000000, -0.0002336200000000, -0.0010546900000000 ] - [ -0.0019453500000000, 0.0024981900000000, 0.0011256200000000 ] - [ -0.0019004600000000, -0.0028595800000000, 0.0041606500000000 ] - [ -0.0079159000000000, -0.0051364000000000, -0.0253627000000000 ] - [ -0.0001291700000000, 0.0000186100000000, -0.0002381600000000 ] - [ -0.0045058100000000, 0.0017154100000000, -0.0034671500000000 ] - [ -0.0022024700000000, -0.0013693500000000, -0.0011004300000000 ] - [ 0.0030965300000000, 0.0003832400000000, 0.0001758100000000 ] - [ 0.0037922300000000, 0.0018092500000000, 0.0027435400000000 ] - [ -0.0187031800000000, -0.0062173200000000, -0.0114532000000000 ] - [ 0.0011627500000000, 0.0011285500000000, -0.0010071100000000 ] - [ 0.0202496200000000, -0.0005410600000000, 0.0130518300000000 ] - [ 0.0007147300000000, -0.0002921800000000, 0.0011133800000000 ] - [ -0.0182823600000000, 0.0017935100000000, 0.0098841900000000 ] - [ -0.0000674600000000, -0.0005549500000000, 0.0007614500000000 ] - [ 0.0058578800000000, 0.0061194600000000, -0.0029010300000000 ] - [ 0.0025230300000000, -0.0049765300000000, -0.0023433500000000 ] - [ -0.0053308400000000, -0.0238506300000000, 0.0077157400000000 ] - [ 0.0039396600000000, 0.0070532700000000, 0.0023513100000000 ] - [ 0.1474515600000000, 0.0156983400000000, -0.0144454700000000 ] - [ 0.0019373200000000, -0.0005256100000000, -0.0004733500000000 ] - [ 0.0074999900000000, -0.0011842900000000, 0.0140066300000000 ] - [ 0.0008081300000000, -0.0001181600000000, 0.0013801000000000 ] - [ 0.0067822200000000, 0.0158405700000000, -0.0029493300000000 ] - [ 0.0008110200000000, -0.0115734700000000, 0.0056461500000000 ] - [ -0.0002265100000000, 0.0005375700000000, 0.0039250800000000 ] - [ 0.0007360800000000, 0.0021485500000000, 0.0036506600000000 ] - [ -0.0016886200000000, 0.0002315600000000, -0.0008237500000000 ] - [ -0.0032039100000000, 0.0000540500000000, -0.0029569400000000 ] - [ -0.0014953500000000, -0.0041494400000000, -0.0020482500000000 ] - [ -0.0042568600000000, 0.0045058300000000, -0.0066926800000000 ] - [ -0.0035327200000000, 0.0004657900000000, 0.0014528000000000 ] - [ -0.0003727800000000, -0.0001226800000000, 0.0001814300000000 ] - [ -0.0071758700000000, -0.0014806200000000, -0.0025780000000000 ] - [ -0.0013452100000000, 0.0003124900000000, -0.0006185300000000 ] - [ -0.0025115100000000, -0.0002699300000000, -0.0007530000000000 ] - [ -0.0025198300000000, 0.0001347900000000, -0.0008500000000000 ] - [ -0.0011176200000000, -0.0011913600000000, -0.0022067100000000 ] - [ -0.0011192200000000, 0.0001577300000000, -0.0009395300000000 ] - [ -0.0064019900000000, -0.0002255200000000, -0.0009011400000000 ] - [ -0.0012701600000000, 0.0000144100000000, 0.0002504000000000 ] - [ -0.0038588500000000, 0.0016035500000000, -0.0063883700000000 ] - [ -0.0006820800000000, -0.0002298200000000, -0.0016231000000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020486900000000, 0.0022396000000000, -0.0029490900000000 ] - [ -0.0005905400000000, -0.0019194100000000, -0.0000089800000000 ] - [ -0.0173816900000000, 0.0312578300000000, 0.0136305300000000 ] - [ -0.0003118500000000, -0.0050984100000000, 0.0010968300000000 ] - [ -0.0024286800000000, 0.0014934300000000, 0.0058782800000000 ] - [ 0.0003883900000000, -0.0021785500000000, -0.0009442100000000 ] - [ 0.0005734100000000, 0.0061138100000000, 0.0036691400000000 ] - [ 0.0022188000000000, -0.0076854300000000, -0.0022724000000000 ] - [ 0.0002762400000000, -0.0028138800000000, 0.0013417500000000 ] - [ -0.0010065700000000, 0.0008331800000000, -0.0075695000000000 ] - [ -0.0017296200000000, -0.0041187300000000, -0.0002055200000000 ] - [ 0.0098970500000000, -0.0013631400000000, -0.0028082500000000 ] - [ 0.0010024400000000, 0.0056922100000000, 0.0075522400000000 ] - [ 0.0004073300000000, -0.0029077100000000, -0.0012382100000000 ] - [ -0.0021432900000000, 0.0036520500000000, 0.0015998000000000 ] - [ 0.0000095000000000, -0.0024270300000000, 0.0004222500000000 ] - [ -0.0030833400000000, 0.0000301900000000, 0.0021577500000000 ] - [ 0.0015820000000000, -0.0007905900000000, 0.0002228600000000 ] - [ 0.0007619100000000, 0.0027639700000000, -0.0005599100000000 ] - [ -0.0012446900000000, -0.0015173300000000, -0.0003798300000000 ] - [ 0.0013039600000000, 0.0016900000000000, -0.0015505100000000 ] - [ -0.0005484300000000, -0.0012109000000000, -0.0002714900000000 ] - [ 0.0012015500000000, -0.0005446600000000, 0.0006657000000000 ] - [ -0.0001089900000000, 0.0001462700000000, 0.0002081700000000 ] - [ -0.0000482200000000, -0.0025686300000000, 0.0002656300000000 ] - [ -0.0010659600000000, 0.0022393900000000, 0.0010936800000000 ] - [ 0.0008229000000000, 0.0010146900000000, -0.0001764700000000 ] - [ 0.0002778600000000, -0.0012088300000000, -0.0006780200000000 ] - [ 0.0006843700000000, 0.0039659800000000, -0.0016159100000000 ] - [ 0.0005102300000000, -0.0025458800000000, -0.0004562400000000 ] - [ -0.0009830000000000, 0.0013054200000000, 0.0000795500000000 ] - [ -0.0002845200000000, -0.0010988800000000, 0.0010418700000000 ] - [ 0.0033538400000000, -0.0005804100000000, -0.0020968000000000 ] - [ -0.0029995300000000, -0.0003378600000000, 0.0010385200000000 ] - [ -0.0001590700000000, -0.0009840500000000, -0.0023087900000000 ] - [ -0.0018679100000000, -0.0068189500000000, 0.0063646600000000 ] - [ 0.0045763000000000, 0.0168461700000000, -0.0021105600000000 ] - [ 0.0010016600000000, -0.0042690400000000, 0.0000745900000000 ] - [ 0.0029581800000000, 0.0183773300000000, -0.0030774600000000 ] - [ -0.0009455800000000, -0.0045286400000000, 0.0000095800000000 ] - [ -0.0000454400000000, -0.0009217900000000, -0.0007023700000000 ] - [ 0.0007055900000000, 0.0012700000000000, 0.0000767800000000 ] - [ -0.0007850900000000, -0.0008065500000000, 0.0005199000000000 ] - [ 0.0007701500000000, 0.0012662000000000, -0.0001060100000000 ] - [ -0.0001094600000000, 0.0012945700000000, 0.0002683400000000 ] - [ -0.0003583800000000, -0.0015305400000000, 0.0002882400000000 ] - [ -0.0001696600000000, 0.0009135500000000, 0.0002314900000000 ] - [ 0.0003397000000000, -0.0012942400000000, -0.0003454900000000 ] - [ -0.0014688200000000, 0.0019060500000000, -0.0016511400000000 ] - [ 0.0001893200000000, -0.0018995200000000, 0.0009264200000000 ] - [ 0.0023236000000000, 0.0023250800000000, 0.0007138200000000 ] - [ -0.0006648300000000, -0.0020283800000000, -0.0000639900000000 ] - [ 0.0018844700000000, 0.0015994100000000, 0.0028609700000000 ] - [ -0.0000307100000000, -0.0014064200000000, -0.0017654000000000 ] - [ -0.0044688200000000, -0.0002645000000000, -0.0020101100000000 ] - [ 0.0003979200000000, -0.0021878500000000, 0.0015083200000000 ] - [ -0.0048829700000000, 0.0045323600000000, -0.0042552600000000 ] - [ 0.0014404500000000, -0.0016967200000000, 0.0010405700000000 ] - [ 0.0062666500000000, -0.0006885500000000, 0.0021025200000000 ] - [ -0.0043915000000000, -0.0034906000000000, -0.0026709400000000 ] - [ -0.0013747900000000, -0.0009726200000000, -0.0015862800000000 ] - [ 0.0053787500000000, -0.0017872700000000, 0.0047282000000000 ] - [ 0.0001197200000000, 0.0127543400000000, -0.0002383800000000 ] - [ 0.0004789600000000, -0.0021780100000000, 0.0003391400000000 ] - [ -0.0029662200000000, 0.0003870800000000, -0.0016096600000000 ] - [ 0.0001483100000000, -0.0019259500000000, 0.0007387100000000 ] - [ -0.0004832000000000, -0.0053397000000000, -0.0021643100000000 ] - [ 0.0011196700000000, 0.0157116400000000, -0.0019677300000000 ] - [ 0.0011437100000000, 0.0020841800000000, 0.0002844600000000 ] - [ -0.0000742700000000, -0.0015880900000000, -0.0011933100000000 ] - [ 0.0114914100000000, 0.0298333400000000, 0.0036915500000000 ] - [ 0.0002596500000000, -0.0062823600000000, 0.0022959000000000 ] - [ -0.0029047800000000, 0.0048458600000000, 0.0001930800000000 ] - [ 0.0002294300000000, -0.0021709700000000, -0.0003906200000000 ] - [ 0.0006266200000000, 0.0026881000000000, -0.0001982400000000 ] - [ -0.0001179600000000, -0.0013947200000000, 0.0003032300000000 ] - [ 0.0016521500000000, -0.0013011400000000, 0.0003265300000000 ] - [ -0.0008995100000000, -0.0000198400000000, 0.0003743800000000 ] - [ -0.0006089800000000, -0.0010320100000000, -0.0005358200000000 ] - [ 0.0000532200000000, -0.0002696300000000, 0.0004850800000000 ] - [ 0.0023937900000000, -0.0012921000000000, 0.0012799900000000 ] - [ -0.0014326200000000, 0.0012608300000000, -0.0006069900000000 ] - [ -0.0059382100000000, -0.0108833000000000, 0.0063099500000000 ] - [ 0.0004695900000000, 0.0046234500000000, -0.0014063600000000 ] - [ -0.0010503900000000, -0.0025040000000000, -0.0011567100000000 ] - [ 0.0002798800000000, 0.0026048700000000, 0.0003021000000000 ] - [ -0.0018081700000000, 0.0036248600000000, 0.0000416800000000 ] - [ 0.0018184800000000, -0.0013968500000000, -0.0002440200000000 ] - [ 0.0083177400000000, -0.0153907100000000, 0.0280999200000000 ] - [ -0.0005779000000000, 0.0046896000000000, -0.0019576700000000 ] - [ -0.0057511500000000, -0.0023049400000000, -0.0016640000000000 ] - [ 0.0042289600000000, 0.0017914800000000, -0.0000672400000000 ] - [ 0.0012341500000000, 0.0040626500000000, 0.0026470000000000 ] - [ -0.0059655200000000, 0.0063321900000000, -0.0234679200000000 ] - [ 0.0115428000000000, -0.0020123300000000, 0.0042181600000000 ] - [ -0.0008205800000000, 0.0037254400000000, -0.0003307300000000 ] - [ -0.0007809700000000, -0.0122712900000000, 0.0137321200000000 ] - [ -0.0011045700000000, 0.0063519400000000, -0.0010595200000000 ] - [ -0.0083563400000000, -0.0062342300000000, 0.0017608600000000 ] - [ 0.0018225100000000, 0.0039633500000000, -0.0001533800000000 ] - [ -0.0078553600000000, 0.0024301200000000, -0.0201836600000000 ] - [ 0.0003192100000000, 0.0075303600000000, 0.0055780700000000 ] - [ 0.0252339800000000, 0.0078996000000000, -0.0115117600000000 ] - [ -0.0036772900000000, 0.0067228100000000, 0.0029264500000000 ] - [ -0.0161108300000000, -0.1455720300000000, -0.0245113700000000 ] - [ 0.0004772600000000, 0.0088813300000000, -0.0004616200000000 ] - [ -0.0011250300000000, -0.0083727700000000, 0.0016247500000000 ] - [ -0.0000777100000000, 0.0044000500000000, 0.0004061300000000 ] - [ -0.0157238000000000, 0.0205772400000000, 0.0104323400000000 ] - [ 0.0116557100000000, 0.0237346500000000, -0.0022421800000000 ] - [ 0.0004899600000000, 0.0023966900000000, -0.0007905100000000 ] - [ 0.0020938600000000, 0.0006560500000000, -0.0016493600000000 ] - [ -0.0007880100000000, 0.0014461700000000, -0.0009303600000000 ] - [ 0.0008090200000000, -0.0009139900000000, 0.0022946200000000 ] - [ 0.0025723300000000, 0.0033733700000000, 0.0017459900000000 ] - [ -0.0061706200000000, -0.0014882500000000, -0.0034361200000000 ] - [ -0.0008558800000000, -0.0031682300000000, -0.0013374500000000 ] - [ 0.0003237800000000, 0.0025595600000000, 0.0000828200000000 ] - [ 0.0025782500000000, -0.0036393700000000, -0.0007794500000000 ] - [ -0.0005140900000000, 0.0029822800000000, 0.0000406400000000 ] - [ -0.0001727000000000, 0.0001989500000000, -0.0005461700000000 ] - [ 0.0002264200000000, 0.0001835600000000, -0.0005334700000000 ] - [ 0.0001921600000000, 0.0007149400000000, 0.0014148200000000 ] - [ -0.0011497900000000, 0.0007001400000000, -0.0011794100000000 ] - [ 0.0002698200000000, -0.0034626700000000, -0.0003018300000000 ] - [ 0.0000247900000000, 0.0027442800000000, 0.0006011100000000 ] - [ 0.0015639600000000, -0.0044954200000000, 0.0015936300000000 ] - [ -0.0002700400000000, 0.0031613500000000, -0.0006017000000000 ]- atom: 105 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016503300000000, -0.0018246600000000, 0.0023154200000000 ] - [ 0.0009759100000000, 0.0023452400000000, -0.0006152500000000 ] - [ 0.0176582300000000, -0.0310314200000000, -0.0135167400000000 ] - [ -0.0000759800000000, 0.0055177900000000, -0.0004728200000000 ] - [ 0.0020691500000000, -0.0019583400000000, -0.0052940100000000 ] - [ -0.0007722100000000, 0.0017525400000000, 0.0015605000000000 ] - [ -0.0002309600000000, -0.0082975000000000, -0.0038814100000000 ] - [ -0.0018294600000000, 0.0072128000000000, 0.0016405000000000 ] - [ -0.0010552200000000, 0.0027463400000000, -0.0007960600000000 ] - [ 0.0002245700000000, -0.0008815400000000, 0.0081153400000000 ] - [ 0.0025125100000000, 0.0040423200000000, -0.0003571400000000 ] - [ -0.0090317700000000, 0.0013282800000000, 0.0022198500000000 ] - [ -0.0002194700000000, -0.0056051000000000, -0.0080788400000000 ] - [ 0.0003704800000000, 0.0029791700000000, 0.0006785400000000 ] - [ 0.0013543900000000, -0.0035678400000000, -0.0010352300000000 ] - [ -0.0007915300000000, 0.0025024600000000, 0.0001467600000000 ] - [ 0.0039641600000000, -0.0000363100000000, -0.0013026400000000 ] - [ -0.0007087400000000, 0.0008001300000000, 0.0006441300000000 ] - [ -0.0016498800000000, -0.0027272000000000, -0.0003179000000000 ] - [ 0.0004007400000000, 0.0015245900000000, -0.0004882800000000 ] - [ -0.0021491800000000, -0.0017041100000000, 0.0006867300000000 ] - [ -0.0003153000000000, 0.0011994700000000, -0.0005993400000000 ] - [ -0.0003561000000000, 0.0005390800000000, 0.0002082100000000 ] - [ 0.0009657100000000, -0.0001388300000000, 0.0006626700000000 ] - [ -0.0009411000000000, 0.0023627500000000, 0.0008905200000000 ] - [ 0.0000797300000000, -0.0024271300000000, 0.0000757100000000 ] - [ 0.0001639000000000, -0.0012280300000000, -0.0009756500000000 ] - [ 0.0007040700000000, 0.0009975200000000, -0.0004792000000000 ] - [ 0.0002933500000000, -0.0036927700000000, 0.0004730200000000 ] - [ 0.0004690900000000, 0.0027484400000000, -0.0007111500000000 ] - [ -0.0000010100000000, -0.0010983300000000, 0.0010750100000000 ] - [ -0.0006969100000000, 0.0013128000000000, 0.0001078200000000 ] - [ -0.0036421700000000, 0.0012638800000000, 0.0016511400000000 ] - [ 0.0027303400000000, 0.0010305400000000, -0.0015037600000000 ] - [ 0.0004244800000000, 0.0016548200000000, 0.0027939500000000 ] - [ 0.0021497200000000, 0.0075501500000000, -0.0059079400000000 ] - [ -0.0044335200000000, -0.0174625000000000, 0.0026638100000000 ] - [ -0.0007380900000000, 0.0035748400000000, 0.0003908400000000 ] - [ -0.0031731700000000, -0.0190921000000000, 0.0027544900000000 ] - [ 0.0006846700000000, 0.0038351100000000, -0.0004882700000000 ] - [ 0.0004373800000000, 0.0013468300000000, 0.0000745200000000 ] - [ -0.0003194500000000, -0.0008255700000000, -0.0006898300000000 ] - [ 0.0004021800000000, 0.0012434900000000, 0.0001110600000000 ] - [ -0.0011559300000000, -0.0008193400000000, 0.0007199500000000 ] - [ -0.0002754200000000, -0.0017259100000000, 0.0003475600000000 ] - [ -0.0000291100000000, 0.0010868600000000, 0.0003329400000000 ] - [ 0.0005466000000000, -0.0013426700000000, -0.0008560200000000 ] - [ 0.0000416600000000, 0.0008416500000000, -0.0002742500000000 ] - [ 0.0006878200000000, -0.0019757100000000, 0.0022074600000000 ] - [ -0.0009697000000000, 0.0018364300000000, -0.0003564700000000 ] - [ -0.0015482700000000, -0.0024039700000000, -0.0012661100000000 ] - [ 0.0014463700000000, 0.0019643500000000, -0.0005045000000000 ] - [ -0.0011039100000000, -0.0015435500000000, -0.0034471800000000 ] - [ 0.0008116900000000, 0.0014704500000000, 0.0011911300000000 ] - [ 0.0036831500000000, 0.0002902200000000, 0.0026011400000000 ] - [ -0.0011772500000000, 0.0022573500000000, -0.0009341900000000 ] - [ 0.0057314900000000, -0.0045127200000000, 0.0051078300000000 ] - [ -0.0005880000000000, 0.0017048800000000, -0.0001753700000000 ] - [ -0.0071771200000000, 0.0006897300000000, -0.0029920900000000 ] - [ 0.0035238700000000, 0.0035011900000000, 0.0017918200000000 ] - [ 0.0005323300000000, 0.0009567400000000, 0.0007204000000000 ] - [ -0.0062157100000000, 0.0017775400000000, -0.0055761500000000 ] - [ 0.0006350200000000, -0.0128587500000000, 0.0009196600000000 ] - [ 0.0003939800000000, 0.0021724700000000, 0.0005377900000000 ] - [ 0.0019368800000000, -0.0006157300000000, 0.0027388100000000 ] - [ -0.0011336100000000, 0.0017148100000000, 0.0004169200000000 ] - [ 0.0014703100000000, 0.0051498900000000, 0.0010249800000000 ] - [ -0.0000051700000000, -0.0148289700000000, -0.0000894200000000 ] - [ -0.0001684600000000, -0.0018866800000000, -0.0014535500000000 ] - [ 0.0010505400000000, 0.0018010100000000, 0.0000394400000000 ] - [ -0.0114375800000000, -0.0283830700000000, -0.0018656100000000 ] - [ -0.0012397900000000, 0.0065073500000000, -0.0011398500000000 ] - [ 0.0026148200000000, -0.0041404300000000, -0.0006654900000000 ] - [ -0.0004951700000000, 0.0028633400000000, -0.0000768500000000 ] - [ -0.0003664800000000, -0.0019936400000000, 0.0006661300000000 ] - [ 0.0003849400000000, 0.0020863900000000, 0.0001672600000000 ] - [ -0.0014078600000000, 0.0006076400000000, 0.0001423100000000 ] - [ 0.0011612500000000, -0.0006761200000000, 0.0000907100000000 ] - [ 0.0003480200000000, 0.0003299000000000, 0.0000686900000000 ] - [ -0.0003105900000000, -0.0004145200000000, -0.0009554500000000 ] - [ -0.0025206600000000, 0.0006983100000000, -0.0006931800000000 ] - [ 0.0013123100000000, -0.0018774100000000, 0.0011901700000000 ] - [ 0.0061332600000000, 0.0100512300000000, -0.0068667100000000 ] - [ -0.0003552000000000, -0.0052336400000000, 0.0008273700000000 ] - [ 0.0011550300000000, 0.0031333700000000, 0.0005608800000000 ] - [ -0.0001551900000000, -0.0019944800000000, -0.0008840000000000 ] - [ 0.0016949400000000, -0.0030119000000000, 0.0005424200000000 ] - [ -0.0019327600000000, 0.0019932700000000, 0.0008200700000000 ] - [ -0.0084628500000000, 0.0145984000000000, -0.0274597600000000 ] - [ 0.0004638900000000, -0.0053045800000000, 0.0025565600000000 ] - [ 0.0059043700000000, 0.0017170600000000, 0.0010811600000000 ] - [ -0.0040969700000000, -0.0024086400000000, -0.0005156900000000 ] - [ -0.0011223900000000, -0.0034349900000000, -0.0032564300000000 ] - [ 0.0060858800000000, -0.0056483700000000, 0.0227646300000000 ] - [ -0.0115367500000000, 0.0026872900000000, -0.0036384000000000 ] - [ 0.0006915000000000, -0.0031074200000000, 0.0009105000000000 ] - [ 0.0004466800000000, 0.0122312100000000, -0.0135623700000000 ] - [ 0.0008188900000000, -0.0064634100000000, 0.0011237300000000 ] - [ 0.0086221200000000, 0.0061608100000000, -0.0018387500000000 ] - [ -0.0015249300000000, -0.0040460500000000, 0.0000803400000000 ] - [ 0.0081942400000000, -0.0023041500000000, 0.0202888100000000 ] - [ -0.0000170200000000, -0.0074340400000000, -0.0056175500000000 ] - [ -0.0257857600000000, -0.0078111600000000, 0.0117154100000000 ] - [ 0.0033530000000000, -0.0066169400000000, -0.0028244700000000 ] - [ 0.0144772000000000, 0.1451302200000000, 0.0238194800000000 ] - [ -0.0003171200000000, -0.0091348400000000, -0.0005193000000000 ] - [ 0.0009830000000000, 0.0081159300000000, -0.0007419200000000 ] - [ -0.0000871700000000, -0.0046568200000000, 0.0005748900000000 ] - [ 0.0157808300000000, -0.0205557200000000, -0.0095702100000000 ] - [ -0.0117045600000000, -0.0233162600000000, 0.0031703600000000 ] - [ -0.0003339600000000, -0.0021159100000000, -0.0001869000000000 ] - [ -0.0019384600000000, -0.0004149000000000, 0.0006611400000000 ] - [ 0.0005132500000000, -0.0015209800000000, 0.0010110900000000 ] - [ -0.0010922200000000, 0.0008121900000000, -0.0022147100000000 ] - [ -0.0023012700000000, -0.0034430500000000, -0.0018292900000000 ] - [ 0.0064236100000000, 0.0013687400000000, 0.0033453600000000 ] - [ 0.0011384700000000, 0.0032326400000000, 0.0012556400000000 ] - [ -0.0000497600000000, -0.0024673900000000, -0.0001603500000000 ] - [ -0.0028551200000000, 0.0037248000000000, 0.0008545300000000 ] - [ 0.0002350800000000, -0.0028922800000000, 0.0000354500000000 ] - [ 0.0003457600000000, -0.0004340700000000, -0.0004396200000000 ] - [ -0.0000662100000000, -0.0004526800000000, -0.0004546600000000 ] - [ -0.0003645700000000, -0.0009450500000000, -0.0004199900000000 ] - [ 0.0009747500000000, -0.0009616700000000, 0.0021528500000000 ] - [ -0.0004265200000000, 0.0037102100000000, 0.0012793200000000 ] - [ -0.0001974300000000, -0.0024862400000000, 0.0003777300000000 ] - [ -0.0013883900000000, 0.0047332300000000, -0.0025572400000000 ] - [ 0.0004363300000000, -0.0029044000000000, -0.0003818800000000 ]- atom: 105 displacement: [ -0.0053469176449015, 0.0000000000000000, 0.0084504716849795 ] forces: - [ 0.0081045900000000, 0.0004173200000000, -0.0104822100000000 ] - [ 0.0011099300000000, 0.0001251500000000, -0.0011779000000000 ] - [ -0.0320706100000000, 0.0141181900000000, 0.0312869000000000 ] - [ -0.0002938800000000, 0.0011628200000000, 0.0006448100000000 ] - [ 0.0018768100000000, 0.0042371700000000, -0.0049587800000000 ] - [ -0.0002253900000000, -0.0012446700000000, -0.0005985300000000 ] - [ -0.0113839500000000, 0.0073153600000000, 0.0141751400000000 ] - [ -0.0016946700000000, -0.0001672100000000, 0.0022005400000000 ] - [ -0.0013015100000000, 0.0020537800000000, -0.0001775800000000 ] - [ -0.0020475200000000, -0.0045530500000000, -0.0008532200000000 ] - [ 0.0016830900000000, 0.0029337600000000, 0.0012033200000000 ] - [ 0.0057275000000000, -0.0097400700000000, 0.0045780400000000 ] - [ -0.0001053200000000, 0.0017643900000000, -0.0076852900000000 ] - [ 0.0001517600000000, -0.0008899600000000, -0.0011807000000000 ] - [ 0.0031582500000000, 0.0032168600000000, 0.0005889300000000 ] - [ -0.0000182800000000, -0.0006338400000000, 0.0004898300000000 ] - [ 0.0039346300000000, 0.0010056500000000, -0.0022445500000000 ] - [ 0.0019205000000000, -0.0010221500000000, -0.0005905400000000 ] - [ 0.0092248200000000, -0.0015828800000000, -0.0009208600000000 ] - [ 0.0004184300000000, 0.0002891100000000, -0.0006772600000000 ] - [ 0.0031231800000000, 0.0008735100000000, -0.0064608800000000 ] - [ -0.0000599200000000, -0.0000459900000000, -0.0008716200000000 ] - [ 0.0017012000000000, -0.0001657400000000, 0.0000619600000000 ] - [ 0.0019514400000000, 0.0004574500000000, -0.0004041600000000 ] - [ -0.0000563300000000, -0.0008056400000000, -0.0008353900000000 ] - [ 0.0004712300000000, -0.0007682100000000, -0.0031725300000000 ] - [ 0.0009061800000000, 0.0002637400000000, -0.0012822100000000 ] - [ 0.0006853800000000, -0.0000816500000000, -0.0007254600000000 ] - [ 0.0039353900000000, -0.0071085400000000, -0.0081605400000000 ] - [ 0.0008410300000000, 0.0008019000000000, -0.0014351900000000 ] - [ 0.0006154800000000, 0.0005976300000000, -0.0002661900000000 ] - [ -0.0000813800000000, 0.0001369900000000, 0.0003170600000000 ] - [ 0.0021206500000000, -0.0044043400000000, -0.0013327200000000 ] - [ 0.0009636800000000, 0.0011498500000000, -0.0012587200000000 ] - [ 0.0002668100000000, -0.0052134200000000, -0.0029608800000000 ] - [ 0.0027292100000000, 0.0056238600000000, -0.0038133700000000 ] - [ -0.0085929600000000, -0.0024349500000000, 0.0097818800000000 ] - [ -0.0002428100000000, -0.0006761400000000, 0.0002872500000000 ] - [ -0.0102661600000000, -0.0003942100000000, -0.0090913200000000 ] - [ -0.0002439800000000, -0.0006057400000000, 0.0001738900000000 ] - [ -0.0003941900000000, 0.0000567000000000, 0.0000590500000000 ] - [ -0.0007665000000000, 0.0001854300000000, 0.0003454300000000 ] - [ -0.0000121600000000, 0.0002534100000000, 0.0001673100000000 ] - [ 0.0002326400000000, -0.0000126400000000, 0.0005008000000000 ] - [ -0.0007267600000000, -0.0002117400000000, 0.0000968500000000 ] - [ -0.0002997900000000, -0.0003935100000000, 0.0003212100000000 ] - [ 0.0014239300000000, -0.0001161500000000, -0.0008737900000000 ] - [ 0.0004829400000000, -0.0002822600000000, -0.0005509600000000 ] - [ -0.0012690000000000, -0.0013879600000000, -0.0051828100000000 ] - [ -0.0002319200000000, -0.0000223800000000, -0.0006099500000000 ] - [ 0.0023552400000000, -0.0006806700000000, 0.0024453300000000 ] - [ 0.0004137000000000, -0.0000490700000000, -0.0001084500000000 ] - [ -0.0006709100000000, 0.0010532300000000, -0.0029657700000000 ] - [ 0.0003106400000000, -0.0006165000000000, -0.0007054000000000 ] - [ -0.0016275400000000, -0.0005295100000000, 0.0063875100000000 ] - [ -0.0005190000000000, -0.0011932000000000, 0.0017753700000000 ] - [ -0.0052432800000000, -0.0008576800000000, 0.0012669400000000 ] - [ -0.0001551400000000, 0.0001266700000000, 0.0006733800000000 ] - [ -0.0024133700000000, -0.0008711800000000, 0.0037860700000000 ] - [ -0.0006328500000000, -0.0005028300000000, 0.0012325100000000 ] - [ -0.0018427300000000, -0.0007044200000000, -0.0002434200000000 ] - [ -0.0061766600000000, 0.0024177700000000, -0.0033378300000000 ] - [ -0.0062540600000000, 0.0006107700000000, 0.0181649700000000 ] - [ -0.0003562600000000, 0.0000797400000000, 0.0009736500000000 ] - [ -0.0035370700000000, -0.0009512200000000, -0.0004052900000000 ] - [ -0.0010406200000000, 0.0004002400000000, 0.0009500800000000 ] - [ -0.0007552000000000, -0.0014165900000000, 0.0001774800000000 ] - [ -0.0041164000000000, -0.0027665700000000, 0.0149359200000000 ] - [ -0.0000019900000000, 0.0003937800000000, 0.0000733400000000 ] - [ 0.0002438600000000, 0.0004249200000000, -0.0005004900000000 ] - [ -0.0084017800000000, -0.0064759400000000, 0.0133352300000000 ] - [ -0.0014467000000000, -0.0000028400000000, 0.0026085200000000 ] - [ -0.0036110100000000, 0.0017015700000000, 0.0020520200000000 ] - [ -0.0002668300000000, 0.0005123100000000, 0.0002692400000000 ] - [ -0.0002169400000000, 0.0002618700000000, -0.0005192600000000 ] - [ 0.0000294900000000, 0.0005079700000000, 0.0001085400000000 ] - [ 0.0003821100000000, -0.0009208900000000, 0.0004756900000000 ] - [ 0.0002337600000000, -0.0000559300000000, 0.0003861600000000 ] - [ 0.0005038900000000, -0.0005719500000000, -0.0009210000000000 ] - [ 0.0002816300000000, -0.0000291200000000, -0.0012485000000000 ] - [ -0.0036557200000000, 0.0010223900000000, 0.0029815000000000 ] - [ -0.0016957900000000, -0.0001699900000000, 0.0014180700000000 ] - [ -0.0246239600000000, 0.0195278200000000, 0.0053556000000000 ] - [ -0.0008127000000000, -0.0015618700000000, 0.0005752500000000 ] - [ -0.0008673600000000, 0.0006673200000000, 0.0024577700000000 ] - [ -0.0003318300000000, 0.0004948700000000, 0.0001312000000000 ] - [ -0.0021430400000000, 0.0026345700000000, 0.0011306000000000 ] - [ -0.0023143500000000, -0.0016118200000000, 0.0038277700000000 ] - [ 0.0186259000000000, 0.0153405000000000, 0.0029884800000000 ] - [ 0.0006907000000000, -0.0010015800000000, -0.0007880200000000 ] - [ -0.0000366400000000, 0.0012062500000000, -0.0028087300000000 ] - [ 0.0003781500000000, -0.0004359300000000, -0.0005128600000000 ] - [ 0.0022818700000000, 0.0035843200000000, -0.0006001800000000 ] - [ 0.0042318500000000, -0.0092810100000000, 0.0162621200000000 ] - [ 0.0126215800000000, 0.0028937500000000, -0.0049215900000000 ] - [ 0.0011379900000000, 0.0003558300000000, -0.0009275800000000 ] - [ -0.0004415600000000, 0.0092713700000000, 0.0402585700000000 ] - [ -0.0002282200000000, -0.0018446300000000, 0.0006957800000000 ] - [ -0.0230101800000000, 0.0004590300000000, 0.0089152300000000 ] - [ -0.0005261400000000, -0.0005031500000000, 0.0002898900000000 ] - [ 0.0076964200000000, -0.0131977300000000, 0.0050980600000000 ] - [ 0.0008116700000000, 0.0026212200000000, -0.0009231700000000 ] - [ -0.0120887000000000, -0.0234043000000000, -0.0005369100000000 ] - [ 0.0011417500000000, 0.0056517700000000, 0.0001800300000000 ] - [ 0.0909042400000000, -0.0115594600000000, -0.1421305500000000 ] - [ 0.0010630100000000, -0.0003175000000000, -0.0020539000000000 ] - [ -0.0075147600000000, -0.0016925800000000, 0.0250109100000000 ] - [ -0.0003593900000000, -0.0000526300000000, 0.0016606400000000 ] - [ 0.0065130400000000, 0.0169784700000000, -0.0110591900000000 ] - [ -0.0039460800000000, -0.0084411100000000, -0.0087895000000000 ] - [ -0.0038222400000000, 0.0005879900000000, 0.0057856600000000 ] - [ -0.0030709100000000, 0.0021965300000000, 0.0048926600000000 ] - [ 0.0003229600000000, -0.0009349900000000, 0.0010497900000000 ] - [ 0.0003849600000000, 0.0005740000000000, 0.0018607200000000 ] - [ 0.0003226100000000, -0.0001372200000000, -0.0020138600000000 ] - [ 0.0013297400000000, -0.0002738900000000, -0.0063332900000000 ] - [ -0.0016493600000000, -0.0005347600000000, 0.0054570300000000 ] - [ -0.0001446500000000, 0.0000697700000000, 0.0009119200000000 ] - [ -0.0006783600000000, -0.0011656800000000, -0.0031193900000000 ] - [ -0.0002294500000000, 0.0002990700000000, -0.0002534400000000 ] - [ -0.0010016200000000, -0.0002335000000000, -0.0001358300000000 ] - [ -0.0010905500000000, -0.0000314700000000, -0.0001897000000000 ] - [ 0.0005624100000000, 0.0007196300000000, 0.0009979900000000 ] - [ 0.0016341200000000, -0.0007508700000000, 0.0016684700000000 ] - [ -0.0022809500000000, -0.0007314900000000, -0.0014222400000000 ] - [ -0.0005182300000000, 0.0001590500000000, 0.0005099900000000 ] - [ 0.0029547800000000, -0.0008443600000000, 0.0003279000000000 ] - [ 0.0006292600000000, 0.0000282900000000, -0.0007463100000000 ]- atom: 105 displacement: [ 0.0053469176449015, 0.0000000000000000, -0.0084504716849795 ] forces: - [ -0.0077288400000000, 0.0000165900000000, 0.0098680900000000 ] - [ -0.0007152600000000, 0.0002763400000000, 0.0005479900000000 ] - [ 0.0341604000000000, -0.0153703900000000, -0.0324916800000000 ] - [ -0.0000912900000000, -0.0007345700000000, -0.0000329600000000 ] - [ -0.0022823300000000, -0.0046137000000000, 0.0055806500000000 ] - [ -0.0001848600000000, 0.0008239000000000, 0.0012307600000000 ] - [ 0.0117504100000000, -0.0077502200000000, -0.0147243500000000 ] - [ 0.0020627200000000, -0.0002190200000000, -0.0028198600000000 ] - [ 0.0005196300000000, -0.0021070400000000, 0.0007407100000000 ] - [ 0.0012641700000000, 0.0044874400000000, 0.0014889700000000 ] - [ -0.0009075000000000, -0.0029853300000000, -0.0017664400000000 ] - [ -0.0049473800000000, 0.0096173500000000, -0.0050886500000000 ] - [ 0.0009001000000000, -0.0017330100000000, 0.0071065500000000 ] - [ 0.0006257300000000, 0.0009583300000000, 0.0006031800000000 ] - [ -0.0039524400000000, -0.0031794300000000, -0.0000300900000000 ] - [ -0.0007563300000000, 0.0007007400000000, 0.0000838600000000 ] - [ -0.0030568900000000, -0.0009998200000000, 0.0031172800000000 ] - [ -0.0010391500000000, 0.0010117200000000, 0.0014640100000000 ] - [ -0.0100579300000000, 0.0015802300000000, 0.0000540400000000 ] - [ -0.0012803700000000, -0.0002857200000000, -0.0001889700000000 ] - [ -0.0040198800000000, -0.0008719100000000, 0.0055837300000000 ] - [ -0.0008154100000000, 0.0000461300000000, 0.0000036200000000 ] - [ -0.0008381600000000, 0.0001679800000000, 0.0008099100000000 ] - [ -0.0010846700000000, -0.0004575000000000, 0.0012712400000000 ] - [ -0.0009299000000000, 0.0006024000000000, 0.0019769900000000 ] - [ -0.0014613300000000, 0.0005365800000000, 0.0043078300000000 ] - [ 0.0000739400000000, -0.0004781300000000, 0.0001344200000000 ] - [ 0.0002963500000000, -0.0001395800000000, -0.0004203500000000 ] - [ -0.0029215400000000, 0.0072824000000000, 0.0069734200000000 ] - [ 0.0001361900000000, -0.0005743200000000, 0.0002886900000000 ] - [ -0.0015891200000000, -0.0003728900000000, 0.0014214000000000 ] - [ -0.0008991800000000, 0.0000834700000000, 0.0008296500000000 ] - [ -0.0023828900000000, 0.0051190100000000, 0.0008646000000000 ] - [ -0.0012171100000000, -0.0004529900000000, 0.0007793300000000 ] - [ 0.0000145400000000, 0.0059512500000000, 0.0034276100000000 ] - [ -0.0024355200000000, -0.0048837000000000, 0.0042390100000000 ] - [ 0.0074217400000000, 0.0015566600000000, -0.0083913200000000 ] - [ 0.0005021600000000, -0.0000275200000000, 0.0001778700000000 ] - [ 0.0099055200000000, -0.0003802100000000, 0.0089387800000000 ] - [ -0.0000226100000000, -0.0000900900000000, -0.0006385400000000 ] - [ 0.0007967300000000, 0.0003605800000000, -0.0006891800000000 ] - [ 0.0011589700000000, 0.0002336900000000, -0.0009564200000000 ] - [ -0.0003754200000000, 0.0001763000000000, 0.0004642500000000 ] - [ -0.0006211100000000, 0.0004303300000000, 0.0001211500000000 ] - [ 0.0003455800000000, -0.0002080100000000, 0.0005194900000000 ] - [ -0.0000936100000000, -0.0000256600000000, 0.0003024000000000 ] - [ -0.0010278400000000, -0.0003045100000000, 0.0002488800000000 ] - [ -0.0000935000000000, -0.0001529700000000, -0.0000698500000000 ] - [ 0.0005051400000000, 0.0013387200000000, 0.0057842300000000 ] - [ -0.0005493100000000, -0.0000309900000000, 0.0011810100000000 ] - [ -0.0015857200000000, 0.0006261500000000, -0.0030312300000000 ] - [ 0.0003744800000000, -0.0000020000000000, -0.0004717200000000 ] - [ 0.0014501300000000, -0.0009879600000000, 0.0023878800000000 ] - [ 0.0004715000000000, 0.0006702200000000, 0.0001353900000000 ] - [ 0.0008392600000000, 0.0005914500000000, -0.0057817400000000 ] - [ -0.0002610700000000, 0.0012472300000000, -0.0011958800000000 ] - [ 0.0061307900000000, 0.0008275300000000, -0.0003643700000000 ] - [ 0.0010274100000000, -0.0001206900000000, 0.0001972400000000 ] - [ 0.0015487900000000, 0.0008752900000000, -0.0046644900000000 ] - [ -0.0002134800000000, 0.0005271700000000, -0.0020966700000000 ] - [ 0.0009787600000000, 0.0007013600000000, -0.0006296100000000 ] - [ 0.0053042600000000, -0.0024221200000000, 0.0024632000000000 ] - [ 0.0069296900000000, -0.0007619800000000, -0.0175412600000000 ] - [ 0.0012249200000000, -0.0000801300000000, -0.0001038600000000 ] - [ 0.0025296300000000, 0.0007227100000000, 0.0015380900000000 ] - [ 0.0000566300000000, -0.0006191900000000, 0.0001989100000000 ] - [ 0.0017400500000000, 0.0012123700000000, -0.0013351000000000 ] - [ 0.0051341300000000, 0.0031937400000000, -0.0166666300000000 ] - [ 0.0009825800000000, -0.0001822500000000, -0.0012319100000000 ] - [ 0.0007398200000000, -0.0002015100000000, -0.0006388000000000 ] - [ 0.0073936700000000, 0.0066465800000000, -0.0120885100000000 ] - [ 0.0004744500000000, 0.0002240200000000, -0.0014514100000000 ] - [ 0.0033290200000000, -0.0009921900000000, -0.0025063500000000 ] - [ -0.0000028500000000, 0.0001986000000000, -0.0007309800000000 ] - [ 0.0004763900000000, 0.0004411800000000, 0.0009895400000000 ] - [ 0.0002432800000000, 0.0002022700000000, 0.0003574700000000 ] - [ -0.0001202500000000, 0.0002196600000000, -0.0000121400000000 ] - [ 0.0000436500000000, -0.0006609500000000, 0.0000727900000000 ] - [ -0.0007625800000000, -0.0001309400000000, 0.0004586200000000 ] - [ -0.0005423400000000, -0.0006850500000000, 0.0007815800000000 ] - [ 0.0035208400000000, -0.0016492300000000, -0.0024030600000000 ] - [ 0.0015666200000000, -0.0004410600000000, -0.0008305400000000 ] - [ 0.0245178600000000, -0.0200030000000000, -0.0059101100000000 ] - [ 0.0009400500000000, 0.0009399800000000, -0.0011628500000000 ] - [ 0.0010097600000000, -0.0000478600000000, -0.0030495700000000 ] - [ 0.0004584200000000, 0.0001155200000000, -0.0007219400000000 ] - [ 0.0020213100000000, -0.0020264600000000, -0.0005400000000000 ] - [ 0.0021936200000000, 0.0022472600000000, -0.0032357500000000 ] - [ -0.0186968400000000, -0.0158343200000000, -0.0026376500000000 ] - [ -0.0008172800000000, 0.0003823300000000, 0.0013677900000000 ] - [ 0.0001596600000000, -0.0018218000000000, 0.0022323100000000 ] - [ -0.0002768400000000, -0.0001841700000000, -0.0000732400000000 ] - [ -0.0021745000000000, -0.0029815200000000, 0.0000234300000000 ] - [ -0.0041229200000000, 0.0099738200000000, -0.0168435000000000 ] - [ -0.0126594300000000, -0.0022540600000000, 0.0054891200000000 ] - [ -0.0012579300000000, 0.0002591900000000, 0.0015120400000000 ] - [ 0.0000925500000000, -0.0095101900000000, -0.0406591100000000 ] - [ -0.0000679300000000, 0.0017328100000000, -0.0006161800000000 ] - [ 0.0234282900000000, -0.0005756500000000, -0.0089983900000000 ] - [ 0.0008212300000000, 0.0004169200000000, -0.0003474000000000 ] - [ -0.0073572500000000, 0.0132483100000000, -0.0051938400000000 ] - [ -0.0004977600000000, -0.0025759100000000, 0.0008187200000000 ] - [ 0.0117402000000000, 0.0233053100000000, 0.0005485000000000 ] - [ -0.0014139900000000, -0.0055443900000000, -0.0001153400000000 ] - [ -0.0913685700000000, 0.0129664500000000, 0.1428419300000000 ] - [ -0.0008984900000000, 0.0000503700000000, 0.0010791800000000 ] - [ 0.0073452900000000, 0.0014345800000000, -0.0238580000000000 ] - [ 0.0002060700000000, -0.0002051200000000, -0.0006830600000000 ] - [ -0.0067039200000000, -0.0167631500000000, 0.0120964000000000 ] - [ 0.0037424300000000, 0.0086286400000000, 0.0098510300000000 ] - [ 0.0039796600000000, -0.0003572900000000, -0.0067600300000000 ] - [ 0.0032167400000000, -0.0019089700000000, -0.0058591400000000 ] - [ -0.0006091300000000, 0.0008465800000000, -0.0009777100000000 ] - [ -0.0006830600000000, -0.0006627900000000, -0.0018020700000000 ] - [ -0.0000291700000000, 0.0000570800000000, 0.0019358800000000 ] - [ -0.0010314500000000, 0.0001735600000000, 0.0062479700000000 ] - [ 0.0019151700000000, 0.0006211100000000, -0.0055311600000000 ] - [ 0.0004326700000000, 0.0000148800000000, -0.0009842500000000 ] - [ 0.0003674100000000, 0.0012602700000000, 0.0032034800000000 ] - [ -0.0000694200000000, -0.0002181200000000, 0.0003234400000000 ] - [ 0.0011676900000000, -0.0000154000000000, -0.0008542600000000 ] - [ 0.0012452900000000, -0.0002216900000000, -0.0008002800000000 ] - [ -0.0007372300000000, -0.0009629700000000, -0.0000026300000000 ] - [ -0.0018066100000000, 0.0004991100000000, -0.0006865500000000 ] - [ 0.0021073100000000, 0.0009792600000000, 0.0023862400000000 ] - [ 0.0003472300000000, 0.0000915600000000, 0.0004707800000000 ] - [ -0.0027908300000000, 0.0010903200000000, -0.0013124100000000 ] - [ -0.0004692200000000, 0.0002204000000000, -0.0002431800000000 ]