# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/66837446-3ff9-41cc-9f31-164b1b4c0015/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 Ba2As2Se5 / P2_1 (4) / materials id 28348](https://mdr.nims.go.jp/datasets/88fc027c-c3c7-4467-adae-dd565b0b0ac1) ## 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: "P2_1" number: 4 Hall_symbol: "P 2yb"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 9.297189310000000, 0.000000000000000, -0.021569330000000 ] # a - [ 0.000000000000000, 12.305457909999999, 0.000000000000000 ] # b - [ -4.567687470000000, 0.000000000000000, 8.927173320000000 ] # c points: - symbol: As # 1 coordinates: [ 0.765950800000000, 0.619643850000000, 0.250272250000000 ] mass: 74.921600 - symbol: As # 2 coordinates: [ 0.786795320000000, 0.509887350000000, 0.997074620000000 ] mass: 74.921600 - symbol: As # 3 coordinates: [ 0.213204680000000, 0.009887350000000, 0.002925380000000 ] mass: 74.921600 - symbol: As # 4 coordinates: [ 0.234049200000000, 0.119643850000000, 0.749727750000000 ] mass: 74.921600 - symbol: As # 5 coordinates: [ 0.615733490000000, 0.084480530000000, 0.740450650000000 ] mass: 74.921600 - symbol: As # 6 coordinates: [ 0.384266510000000, 0.584480530000000, 0.259549350000000 ] mass: 74.921600 - symbol: As # 7 coordinates: [ 0.039592770000000, 0.698717790000000, 0.509485730000000 ] mass: 74.921600 - symbol: As # 8 coordinates: [ 0.960407230000000, 0.198717790000000, 0.490514270000000 ] mass: 74.921600 - symbol: Se # 9 coordinates: [ 0.339866580000000, 0.166844180000000, 0.568222190000000 ] mass: 78.960000 - symbol: Se # 10 coordinates: [ 0.660133420000000, 0.666844180000000, 0.431777810000000 ] mass: 78.960000 - symbol: Se # 11 coordinates: [ 0.487666590000000, 0.554568740000000, 0.068730200000000 ] mass: 78.960000 - symbol: Se # 12 coordinates: [ 0.512333410000000, 0.054568740000000, 0.931269800000000 ] mass: 78.960000 - symbol: Se # 13 coordinates: [ 0.946166350000000, 0.383799620000000, 0.392711420000000 ] mass: 78.960000 - symbol: Se # 14 coordinates: [ 0.297682780000000, 0.828218750000000, 0.101890070000000 ] mass: 78.960000 - symbol: Se # 15 coordinates: [ 0.053833650000000, 0.883799620000000, 0.607288580000000 ] mass: 78.960000 - symbol: Se # 16 coordinates: [ 0.702317220000000, 0.328218750000000, 0.898109930000000 ] mass: 78.960000 - symbol: Se # 17 coordinates: [ 0.373534110000000, 0.103837220000000, 0.235007810000000 ] mass: 78.960000 - symbol: Se # 18 coordinates: [ 0.626465890000000, 0.603837220000000, 0.764992190000000 ] mass: 78.960000 - symbol: Se # 19 coordinates: [ 0.115021200000000, 0.604545190000000, 0.739368010000000 ] mass: 78.960000 - symbol: Se # 20 coordinates: [ 0.884978800000000, 0.104545190000000, 0.260631990000000 ] mass: 78.960000 - symbol: Se # 21 coordinates: [ 0.795360010000000, 0.788984700000000, 0.140800160000000 ] mass: 78.960000 - symbol: Se # 22 coordinates: [ 0.204639990000000, 0.288984700000000, 0.859199840000000 ] mass: 78.960000 - symbol: Se # 23 coordinates: [ 0.430977190000000, 0.406038760000000, 0.367973480000000 ] mass: 78.960000 - symbol: Se # 24 coordinates: [ 0.569022810000000, 0.906038760000000, 0.632026520000000 ] mass: 78.960000 - symbol: Se # 25 coordinates: [ 0.719098650000000, 0.183643270000000, 0.518104950000000 ] mass: 78.960000 - symbol: Se # 26 coordinates: [ 0.280901350000000, 0.683643270000000, 0.481895050000000 ] mass: 78.960000 - symbol: Se # 27 coordinates: [ 0.052457560000000, 0.521185980000000, 0.012680580000000 ] mass: 78.960000 - symbol: Se # 28 coordinates: [ 0.947542440000000, 0.021185980000000, 0.987319420000000 ] mass: 78.960000 - symbol: Ba # 29 coordinates: [ 0.180374100000000, 0.931166540000000, 0.348776350000000 ] mass: 137.327000 - symbol: Ba # 30 coordinates: [ 0.819625900000000, 0.431166540000000, 0.651223650000000 ] mass: 137.327000 - symbol: Ba # 31 coordinates: [ 0.670050980000000, 0.931525090000000, 0.350957320000000 ] mass: 137.327000 - symbol: Ba # 32 coordinates: [ 0.329949020000000, 0.431525090000000, 0.649042680000000 ] mass: 137.327000 - symbol: Ba # 33 coordinates: [ 0.420883300000000, 0.783375290000000, 0.844215700000000 ] mass: 137.327000 - symbol: Ba # 34 coordinates: [ 0.579116700000000, 0.283375290000000, 0.155784300000000 ] mass: 137.327000 - symbol: Ba # 35 coordinates: [ 0.920720030000000, 0.774237200000000, 0.854345480000000 ] mass: 137.327000 - symbol: Ba # 36 coordinates: [ 0.079279970000000, 0.274237200000000, 0.145654520000000 ] mass: 137.327000 reciprocal_lattice: # without 2pi - [ 0.107687218464479, 0.000000000000000, 0.055099362455231 ] # a* - [ 0.000000000000000, 0.081264753194382, 0.000000000000000 ] # b* - [ 0.000260187751328, 0.000000000000000, 0.112150668575973 ] # c*unit_cell: lattice: - [ 9.297189310000000, 0.000000000000000, -0.021569330000000 ] # a - [ 0.000000000000000, 12.305457909999999, 0.000000000000000 ] # b - [ -4.567687470000000, 0.000000000000000, 8.927173320000000 ] # c points: - symbol: As # 1 coordinates: [ 0.765950800000000, 0.619643850000000, 0.250272250000000 ] mass: 74.921600 reduced_to: 1 - symbol: As # 2 coordinates: [ 0.786795320000000, 0.509887350000000, 0.997074620000000 ] mass: 74.921600 reduced_to: 2 - symbol: As # 3 coordinates: [ 0.213204680000000, 0.009887350000000, 0.002925380000000 ] mass: 74.921600 reduced_to: 3 - symbol: As # 4 coordinates: [ 0.234049200000000, 0.119643850000000, 0.749727750000000 ] mass: 74.921600 reduced_to: 4 - symbol: As # 5 coordinates: [ 0.615733490000000, 0.084480530000000, 0.740450650000000 ] mass: 74.921600 reduced_to: 5 - symbol: As # 6 coordinates: [ 0.384266510000000, 0.584480530000000, 0.259549350000000 ] mass: 74.921600 reduced_to: 6 - symbol: As # 7 coordinates: [ 0.039592770000000, 0.698717790000000, 0.509485730000000 ] mass: 74.921600 reduced_to: 7 - symbol: As # 8 coordinates: [ 0.960407230000000, 0.198717790000000, 0.490514270000000 ] mass: 74.921600 reduced_to: 8 - symbol: Se # 9 coordinates: [ 0.339866580000000, 0.166844180000000, 0.568222190000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 10 coordinates: [ 0.660133420000000, 0.666844180000000, 0.431777810000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 11 coordinates: [ 0.487666590000000, 0.554568740000000, 0.068730200000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 12 coordinates: [ 0.512333410000000, 0.054568740000000, 0.931269800000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 13 coordinates: [ 0.946166350000000, 0.383799620000000, 0.392711420000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 14 coordinates: [ 0.297682780000000, 0.828218750000000, 0.101890070000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 15 coordinates: [ 0.053833650000000, 0.883799620000000, 0.607288580000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 16 coordinates: [ 0.702317220000000, 0.328218750000000, 0.898109930000000 ] mass: 78.960000 reduced_to: 16 - symbol: Se # 17 coordinates: [ 0.373534110000000, 0.103837220000000, 0.235007810000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 18 coordinates: [ 0.626465890000000, 0.603837220000000, 0.764992190000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 19 coordinates: [ 0.115021200000000, 0.604545190000000, 0.739368010000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 20 coordinates: [ 0.884978800000000, 0.104545190000000, 0.260631990000000 ] mass: 78.960000 reduced_to: 20 - symbol: Se # 21 coordinates: [ 0.795360010000000, 0.788984700000000, 0.140800160000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 22 coordinates: [ 0.204639990000000, 0.288984700000000, 0.859199840000000 ] mass: 78.960000 reduced_to: 22 - symbol: Se # 23 coordinates: [ 0.430977190000000, 0.406038760000000, 0.367973480000000 ] mass: 78.960000 reduced_to: 23 - symbol: Se # 24 coordinates: [ 0.569022810000000, 0.906038760000000, 0.632026520000000 ] mass: 78.960000 reduced_to: 24 - symbol: Se # 25 coordinates: [ 0.719098650000000, 0.183643270000000, 0.518104950000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 26 coordinates: [ 0.280901350000000, 0.683643270000000, 0.481895050000000 ] mass: 78.960000 reduced_to: 26 - symbol: Se # 27 coordinates: [ 0.052457560000000, 0.521185980000000, 0.012680580000000 ] mass: 78.960000 reduced_to: 27 - symbol: Se # 28 coordinates: [ 0.947542440000000, 0.021185980000000, 0.987319420000000 ] mass: 78.960000 reduced_to: 28 - symbol: Ba # 29 coordinates: [ 0.180374100000000, 0.931166540000000, 0.348776350000000 ] mass: 137.327000 reduced_to: 29 - symbol: Ba # 30 coordinates: [ 0.819625900000000, 0.431166540000000, 0.651223650000000 ] mass: 137.327000 reduced_to: 30 - symbol: Ba # 31 coordinates: [ 0.670050980000000, 0.931525090000000, 0.350957320000000 ] mass: 137.327000 reduced_to: 31 - symbol: Ba # 32 coordinates: [ 0.329949020000000, 0.431525090000000, 0.649042680000000 ] mass: 137.327000 reduced_to: 32 - symbol: Ba # 33 coordinates: [ 0.420883300000000, 0.783375290000000, 0.844215700000000 ] mass: 137.327000 reduced_to: 33 - symbol: Ba # 34 coordinates: [ 0.579116700000000, 0.283375290000000, 0.155784300000000 ] mass: 137.327000 reduced_to: 34 - symbol: Ba # 35 coordinates: [ 0.920720030000000, 0.774237200000000, 0.854345480000000 ] mass: 137.327000 reduced_to: 35 - symbol: Ba # 36 coordinates: [ 0.079279970000000, 0.274237200000000, 0.145654520000000 ] mass: 137.327000 reduced_to: 36supercell: lattice: - [ 18.594378620000001, 0.000000000000000, -0.043138660000000 ] # a - [ 0.000000000000000, 12.305457909999999, 0.000000000000000 ] # b - [ -9.135374940000000, 0.000000000000000, 17.854346639999999 ] # c points: - symbol: As # 1 coordinates: [ 0.382975400000000, 0.619643850000000, 0.125136125000000 ] mass: 74.921600 reduced_to: 1 - symbol: As # 2 coordinates: [ 0.882975400000000, 0.619643850000000, 0.125136125000000 ] mass: 74.921600 reduced_to: 1 - symbol: As # 3 coordinates: [ 0.382975400000000, 0.619643850000000, 0.625136125000000 ] mass: 74.921600 reduced_to: 1 - symbol: As # 4 coordinates: [ 0.882975400000000, 0.619643850000000, 0.625136125000000 ] mass: 74.921600 reduced_to: 1 - symbol: As # 5 coordinates: [ 0.393397660000000, 0.509887350000000, 0.498537310000000 ] mass: 74.921600 reduced_to: 5 - symbol: As # 6 coordinates: [ 0.893397660000000, 0.509887350000000, 0.498537310000000 ] mass: 74.921600 reduced_to: 5 - symbol: As # 7 coordinates: [ 0.393397660000000, 0.509887350000000, 0.998537310000000 ] mass: 74.921600 reduced_to: 5 - symbol: As # 8 coordinates: [ 0.893397660000000, 0.509887350000000, 0.998537310000000 ] mass: 74.921600 reduced_to: 5 - symbol: As # 9 coordinates: [ 0.106602340000000, 0.009887350000000, 0.001462690000000 ] mass: 74.921600 reduced_to: 9 - symbol: As # 10 coordinates: [ 0.606602340000000, 0.009887350000000, 0.001462690000000 ] mass: 74.921600 reduced_to: 9 - symbol: As # 11 coordinates: [ 0.106602340000000, 0.009887350000000, 0.501462690000000 ] mass: 74.921600 reduced_to: 9 - symbol: As # 12 coordinates: [ 0.606602340000000, 0.009887350000000, 0.501462690000000 ] mass: 74.921600 reduced_to: 9 - symbol: As # 13 coordinates: [ 0.117024600000000, 0.119643850000000, 0.374863875000000 ] mass: 74.921600 reduced_to: 13 - symbol: As # 14 coordinates: [ 0.617024600000000, 0.119643850000000, 0.374863875000000 ] mass: 74.921600 reduced_to: 13 - symbol: As # 15 coordinates: [ 0.117024600000000, 0.119643850000000, 0.874863875000000 ] mass: 74.921600 reduced_to: 13 - symbol: As # 16 coordinates: [ 0.617024600000000, 0.119643850000000, 0.874863875000000 ] mass: 74.921600 reduced_to: 13 - symbol: As # 17 coordinates: [ 0.307866745000000, 0.084480530000000, 0.370225325000000 ] mass: 74.921600 reduced_to: 17 - symbol: As # 18 coordinates: [ 0.807866745000000, 0.084480530000000, 0.370225325000000 ] mass: 74.921600 reduced_to: 17 - symbol: As # 19 coordinates: [ 0.307866745000000, 0.084480530000000, 0.870225325000000 ] mass: 74.921600 reduced_to: 17 - symbol: As # 20 coordinates: [ 0.807866745000000, 0.084480530000000, 0.870225325000000 ] mass: 74.921600 reduced_to: 17 - symbol: As # 21 coordinates: [ 0.192133255000000, 0.584480530000000, 0.129774675000000 ] mass: 74.921600 reduced_to: 21 - symbol: As # 22 coordinates: [ 0.692133255000000, 0.584480530000000, 0.129774675000000 ] mass: 74.921600 reduced_to: 21 - symbol: As # 23 coordinates: [ 0.192133255000000, 0.584480530000000, 0.629774675000000 ] mass: 74.921600 reduced_to: 21 - symbol: As # 24 coordinates: [ 0.692133255000000, 0.584480530000000, 0.629774675000000 ] mass: 74.921600 reduced_to: 21 - symbol: As # 25 coordinates: [ 0.019796385000000, 0.698717790000000, 0.254742865000000 ] mass: 74.921600 reduced_to: 25 - symbol: As # 26 coordinates: [ 0.519796385000000, 0.698717790000000, 0.254742865000000 ] mass: 74.921600 reduced_to: 25 - symbol: As # 27 coordinates: [ 0.019796385000000, 0.698717790000000, 0.754742865000000 ] mass: 74.921600 reduced_to: 25 - symbol: As # 28 coordinates: [ 0.519796385000000, 0.698717790000000, 0.754742865000000 ] mass: 74.921600 reduced_to: 25 - symbol: As # 29 coordinates: [ 0.480203615000000, 0.198717790000000, 0.245257135000000 ] mass: 74.921600 reduced_to: 29 - symbol: As # 30 coordinates: [ 0.980203615000000, 0.198717790000000, 0.245257135000000 ] mass: 74.921600 reduced_to: 29 - symbol: As # 31 coordinates: [ 0.480203615000000, 0.198717790000000, 0.745257135000000 ] mass: 74.921600 reduced_to: 29 - symbol: As # 32 coordinates: [ 0.980203615000000, 0.198717790000000, 0.745257135000000 ] mass: 74.921600 reduced_to: 29 - symbol: Se # 33 coordinates: [ 0.169933290000000, 0.166844180000000, 0.284111095000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 34 coordinates: [ 0.669933290000000, 0.166844180000000, 0.284111095000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 35 coordinates: [ 0.169933290000000, 0.166844180000000, 0.784111095000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 36 coordinates: [ 0.669933290000000, 0.166844180000000, 0.784111095000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 37 coordinates: [ 0.330066710000000, 0.666844180000000, 0.215888905000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.830066710000000, 0.666844180000000, 0.215888905000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 39 coordinates: [ 0.330066710000000, 0.666844180000000, 0.715888905000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 40 coordinates: [ 0.830066710000000, 0.666844180000000, 0.715888905000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 41 coordinates: [ 0.243833295000000, 0.554568740000000, 0.034365100000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.743833295000000, 0.554568740000000, 0.034365100000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 43 coordinates: [ 0.243833295000000, 0.554568740000000, 0.534365100000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 44 coordinates: [ 0.743833295000000, 0.554568740000000, 0.534365100000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 45 coordinates: [ 0.256166705000000, 0.054568740000000, 0.465634900000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 46 coordinates: [ 0.756166705000000, 0.054568740000000, 0.465634900000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 47 coordinates: [ 0.256166705000000, 0.054568740000000, 0.965634900000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 48 coordinates: [ 0.756166705000000, 0.054568740000000, 0.965634900000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 49 coordinates: [ 0.473083175000000, 0.383799620000000, 0.196355710000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.973083175000000, 0.383799620000000, 0.196355710000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 51 coordinates: [ 0.473083175000000, 0.383799620000000, 0.696355710000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 52 coordinates: [ 0.973083175000000, 0.383799620000000, 0.696355710000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 53 coordinates: [ 0.148841390000000, 0.828218750000000, 0.050945035000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 54 coordinates: [ 0.648841390000000, 0.828218750000000, 0.050945035000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 55 coordinates: [ 0.148841390000000, 0.828218750000000, 0.550945035000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 56 coordinates: [ 0.648841390000000, 0.828218750000000, 0.550945035000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 57 coordinates: [ 0.026916825000000, 0.883799620000000, 0.303644290000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 58 coordinates: [ 0.526916825000000, 0.883799620000000, 0.303644290000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 59 coordinates: [ 0.026916825000000, 0.883799620000000, 0.803644290000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 60 coordinates: [ 0.526916825000000, 0.883799620000000, 0.803644290000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 61 coordinates: [ 0.351158610000000, 0.328218750000000, 0.449054965000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 62 coordinates: [ 0.851158610000000, 0.328218750000000, 0.449054965000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 63 coordinates: [ 0.351158610000000, 0.328218750000000, 0.949054965000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 64 coordinates: [ 0.851158610000000, 0.328218750000000, 0.949054965000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 65 coordinates: [ 0.186767055000000, 0.103837220000000, 0.117503905000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 66 coordinates: [ 0.686767055000000, 0.103837220000000, 0.117503905000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 67 coordinates: [ 0.186767055000000, 0.103837220000000, 0.617503905000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 68 coordinates: [ 0.686767055000000, 0.103837220000000, 0.617503905000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 69 coordinates: [ 0.313232945000000, 0.603837220000000, 0.382496095000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 70 coordinates: [ 0.813232945000000, 0.603837220000000, 0.382496095000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 71 coordinates: [ 0.313232945000000, 0.603837220000000, 0.882496095000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 72 coordinates: [ 0.813232945000000, 0.603837220000000, 0.882496095000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 73 coordinates: [ 0.057510600000000, 0.604545190000000, 0.369684005000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 74 coordinates: [ 0.557510600000000, 0.604545190000000, 0.369684005000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 75 coordinates: [ 0.057510600000000, 0.604545190000000, 0.869684005000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 76 coordinates: [ 0.557510600000000, 0.604545190000000, 0.869684005000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 77 coordinates: [ 0.442489400000000, 0.104545190000000, 0.130315995000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 78 coordinates: [ 0.942489400000000, 0.104545190000000, 0.130315995000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 79 coordinates: [ 0.442489400000000, 0.104545190000000, 0.630315995000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 80 coordinates: [ 0.942489400000000, 0.104545190000000, 0.630315995000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 81 coordinates: [ 0.397680005000000, 0.788984700000000, 0.070400080000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 82 coordinates: [ 0.897680005000000, 0.788984700000000, 0.070400080000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 83 coordinates: [ 0.397680005000000, 0.788984700000000, 0.570400080000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 84 coordinates: [ 0.897680005000000, 0.788984700000000, 0.570400080000000 ] mass: 78.960000 reduced_to: 81 - symbol: Se # 85 coordinates: [ 0.102319995000000, 0.288984700000000, 0.429599920000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 86 coordinates: [ 0.602319995000000, 0.288984700000000, 0.429599920000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 87 coordinates: [ 0.102319995000000, 0.288984700000000, 0.929599920000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 88 coordinates: [ 0.602319995000000, 0.288984700000000, 0.929599920000000 ] mass: 78.960000 reduced_to: 85 - symbol: Se # 89 coordinates: [ 0.215488595000000, 0.406038760000000, 0.183986740000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 90 coordinates: [ 0.715488595000000, 0.406038760000000, 0.183986740000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 91 coordinates: [ 0.215488595000000, 0.406038760000000, 0.683986740000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 92 coordinates: [ 0.715488595000000, 0.406038760000000, 0.683986740000000 ] mass: 78.960000 reduced_to: 89 - symbol: Se # 93 coordinates: [ 0.284511405000000, 0.906038760000000, 0.316013260000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 94 coordinates: [ 0.784511405000000, 0.906038760000000, 0.316013260000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 95 coordinates: [ 0.284511405000000, 0.906038760000000, 0.816013260000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 96 coordinates: [ 0.784511405000000, 0.906038760000000, 0.816013260000000 ] mass: 78.960000 reduced_to: 93 - symbol: Se # 97 coordinates: [ 0.359549325000000, 0.183643270000000, 0.259052475000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 98 coordinates: [ 0.859549325000000, 0.183643270000000, 0.259052475000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 99 coordinates: [ 0.359549325000000, 0.183643270000000, 0.759052475000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 100 coordinates: [ 0.859549325000000, 0.183643270000000, 0.759052475000000 ] mass: 78.960000 reduced_to: 97 - symbol: Se # 101 coordinates: [ 0.140450675000000, 0.683643270000000, 0.240947525000000 ] mass: 78.960000 reduced_to: 101 - symbol: Se # 102 coordinates: [ 0.640450675000000, 0.683643270000000, 0.240947525000000 ] mass: 78.960000 reduced_to: 101 - symbol: Se # 103 coordinates: [ 0.140450675000000, 0.683643270000000, 0.740947525000000 ] mass: 78.960000 reduced_to: 101 - symbol: Se # 104 coordinates: [ 0.640450675000000, 0.683643270000000, 0.740947525000000 ] mass: 78.960000 reduced_to: 101 - symbol: Se # 105 coordinates: [ 0.026228780000000, 0.521185980000000, 0.006340290000000 ] mass: 78.960000 reduced_to: 105 - symbol: Se # 106 coordinates: [ 0.526228780000000, 0.521185980000000, 0.006340290000000 ] mass: 78.960000 reduced_to: 105 - symbol: Se # 107 coordinates: [ 0.026228780000000, 0.521185980000000, 0.506340290000000 ] mass: 78.960000 reduced_to: 105 - symbol: Se # 108 coordinates: [ 0.526228780000000, 0.521185980000000, 0.506340290000000 ] mass: 78.960000 reduced_to: 105 - symbol: Se # 109 coordinates: [ 0.473771220000000, 0.021185980000000, 0.493659710000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 110 coordinates: [ 0.973771220000000, 0.021185980000000, 0.493659710000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 111 coordinates: [ 0.473771220000000, 0.021185980000000, 0.993659710000000 ] mass: 78.960000 reduced_to: 109 - symbol: Se # 112 coordinates: [ 0.973771220000000, 0.021185980000000, 0.993659710000000 ] mass: 78.960000 reduced_to: 109 - symbol: Ba # 113 coordinates: [ 0.090187050000000, 0.931166540000000, 0.174388175000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 114 coordinates: [ 0.590187050000000, 0.931166540000000, 0.174388175000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 115 coordinates: [ 0.090187050000000, 0.931166540000000, 0.674388175000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 116 coordinates: [ 0.590187050000000, 0.931166540000000, 0.674388175000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 117 coordinates: [ 0.409812950000000, 0.431166540000000, 0.325611825000000 ] mass: 137.327000 reduced_to: 117 - symbol: Ba # 118 coordinates: [ 0.909812950000000, 0.431166540000000, 0.325611825000000 ] mass: 137.327000 reduced_to: 117 - symbol: Ba # 119 coordinates: [ 0.409812950000000, 0.431166540000000, 0.825611825000000 ] mass: 137.327000 reduced_to: 117 - symbol: Ba # 120 coordinates: [ 0.909812950000000, 0.431166540000000, 0.825611825000000 ] mass: 137.327000 reduced_to: 117 - symbol: Ba # 121 coordinates: [ 0.335025490000000, 0.931525090000000, 0.175478660000000 ] mass: 137.327000 reduced_to: 121 - symbol: Ba # 122 coordinates: [ 0.835025490000000, 0.931525090000000, 0.175478660000000 ] mass: 137.327000 reduced_to: 121 - symbol: Ba # 123 coordinates: [ 0.335025490000000, 0.931525090000000, 0.675478660000000 ] mass: 137.327000 reduced_to: 121 - symbol: Ba # 124 coordinates: [ 0.835025490000000, 0.931525090000000, 0.675478660000000 ] mass: 137.327000 reduced_to: 121 - symbol: Ba # 125 coordinates: [ 0.164974510000000, 0.431525090000000, 0.324521340000000 ] mass: 137.327000 reduced_to: 125 - symbol: Ba # 126 coordinates: [ 0.664974510000000, 0.431525090000000, 0.324521340000000 ] mass: 137.327000 reduced_to: 125 - symbol: Ba # 127 coordinates: [ 0.164974510000000, 0.431525090000000, 0.824521340000000 ] mass: 137.327000 reduced_to: 125 - symbol: Ba # 128 coordinates: [ 0.664974510000000, 0.431525090000000, 0.824521340000000 ] mass: 137.327000 reduced_to: 125 - symbol: Ba # 129 coordinates: [ 0.210441650000000, 0.783375290000000, 0.422107850000000 ] mass: 137.327000 reduced_to: 129 - symbol: Ba # 130 coordinates: [ 0.710441650000000, 0.783375290000000, 0.422107850000000 ] mass: 137.327000 reduced_to: 129 - symbol: Ba # 131 coordinates: [ 0.210441650000000, 0.783375290000000, 0.922107850000000 ] mass: 137.327000 reduced_to: 129 - symbol: Ba # 132 coordinates: [ 0.710441650000000, 0.783375290000000, 0.922107850000000 ] mass: 137.327000 reduced_to: 129 - symbol: Ba # 133 coordinates: [ 0.289558350000000, 0.283375290000000, 0.077892150000000 ] mass: 137.327000 reduced_to: 133 - symbol: Ba # 134 coordinates: [ 0.789558350000000, 0.283375290000000, 0.077892150000000 ] mass: 137.327000 reduced_to: 133 - symbol: Ba # 135 coordinates: [ 0.289558350000000, 0.283375290000000, 0.577892150000000 ] mass: 137.327000 reduced_to: 133 - symbol: Ba # 136 coordinates: [ 0.789558350000000, 0.283375290000000, 0.577892150000000 ] mass: 137.327000 reduced_to: 133 - symbol: Ba # 137 coordinates: [ 0.460360015000000, 0.774237200000000, 0.427172740000000 ] mass: 137.327000 reduced_to: 137 - symbol: Ba # 138 coordinates: [ 0.960360015000000, 0.774237200000000, 0.427172740000000 ] mass: 137.327000 reduced_to: 137 - symbol: Ba # 139 coordinates: [ 0.460360015000000, 0.774237200000000, 0.927172740000000 ] mass: 137.327000 reduced_to: 137 - symbol: Ba # 140 coordinates: [ 0.960360015000000, 0.774237200000000, 0.927172740000000 ] mass: 137.327000 reduced_to: 137 - symbol: Ba # 141 coordinates: [ 0.039639985000000, 0.274237200000000, 0.072827260000000 ] mass: 137.327000 reduced_to: 141 - symbol: Ba # 142 coordinates: [ 0.539639985000000, 0.274237200000000, 0.072827260000000 ] mass: 137.327000 reduced_to: 141 - symbol: Ba # 143 coordinates: [ 0.039639985000000, 0.274237200000000, 0.572827260000000 ] mass: 137.327000 reduced_to: 141 - symbol: Ba # 144 coordinates: [ 0.539639985000000, 0.274237200000000, 0.572827260000000 ] mass: 137.327000 reduced_to: 141displacements:- atom: 1 displacement: [ 0.0099999730884809, 0.0000000000000000, -0.0000231997770880 ] forces: - [ -0.0743460000000000, -0.0062743100000000, 0.0053387400000000 ] - [ 0.0002866200000000, 0.0000033800000000, -0.0001865000000000 ] - [ -0.0000184700000000, -0.0004777400000000, -0.0006205600000000 ] - [ -0.0001228800000000, 0.0003915300000000, 0.0004335500000000 ] - [ -0.0013766700000000, 0.0003333300000000, -0.0008328800000000 ] - [ 0.0000748700000000, 0.0000154500000000, -0.0000486600000000 ] - [ 0.0031878500000000, -0.0015571100000000, -0.0047196800000000 ] - [ 0.0024132000000000, -0.0001315000000000, -0.0008336000000000 ] - [ -0.0000493300000000, -0.0007025100000000, 0.0005411400000000 ] - [ -0.0000366400000000, -0.0000309000000000, 0.0001209500000000 ] - [ 0.0001536600000000, -0.0000304300000000, 0.0001032600000000 ] - [ -0.0005832300000000, 0.0000790600000000, 0.0005975700000000 ] - [ 0.0006408100000000, -0.0001662200000000, -0.0000999600000000 ] - [ 0.0010959300000000, -0.0000059900000000, 0.0005760000000000 ] - [ -0.0013578000000000, 0.0001630000000000, 0.0001762700000000 ] - [ 0.0005889000000000, -0.0001133200000000, -0.0000468500000000 ] - [ -0.0002807800000000, -0.0006854300000000, -0.0002795600000000 ] - [ 0.0008176000000000, -0.0001293600000000, -0.0000308400000000 ] - [ -0.0000149200000000, -0.0000988600000000, -0.0000503900000000 ] - [ 0.0006896100000000, -0.0002390200000000, 0.0003255100000000 ] - [ 0.0171788500000000, 0.0019992700000000, -0.0005671100000000 ] - [ 0.0010874400000000, -0.0001851900000000, -0.0002033700000000 ] - [ -0.0001451700000000, -0.0001044700000000, -0.0001989100000000 ] - [ -0.0004972100000000, -0.0002861900000000, -0.0000790400000000 ] - [ 0.0023517100000000, 0.0000752200000000, 0.0008501300000000 ] - [ 0.0054621200000000, 0.0009732400000000, 0.0067691500000000 ] - [ -0.0006374800000000, -0.0003687300000000, 0.0008679500000000 ] - [ 0.0001129600000000, -0.0000799200000000, 0.0000396100000000 ] - [ -0.0020994000000000, -0.0007269300000000, -0.0000364800000000 ] - [ 0.0000938200000000, -0.0000214400000000, -0.0004923500000000 ] - [ 0.0000005600000000, -0.0001244400000000, -0.0003355500000000 ] - [ -0.0002627400000000, -0.0002372300000000, -0.0001426100000000 ] - [ -0.0002797500000000, 0.0001085300000000, 0.0002249700000000 ] - [ -0.0002828900000000, 0.0001629000000000, -0.0000611800000000 ] - [ 0.0005134000000000, 0.0002615800000000, -0.0000797500000000 ] - [ -0.0004375300000000, 0.0002044500000000, -0.0001560500000000 ] - [ 0.0250764100000000, -0.0101680500000000, -0.0189355100000000 ] - [ -0.0004500000000000, -0.0000143900000000, -0.0001781700000000 ] - [ -0.0003475600000000, 0.0004251200000000, 0.0005038900000000 ] - [ 0.0002192200000000, 0.0001809100000000, -0.0000153400000000 ] - [ 0.0212590500000000, 0.0059895200000000, 0.0185666200000000 ] - [ -0.0005895200000000, 0.0003282900000000, 0.0003429600000000 ] - [ 0.0000899200000000, 0.0002663500000000, 0.0001540800000000 ] - [ -0.0003163400000000, -0.0000359700000000, -0.0004662400000000 ] - [ -0.0001490000000000, 0.0003156300000000, 0.0001527200000000 ] - [ -0.0006768700000000, 0.0002970200000000, -0.0003019100000000 ] - [ 0.0008162300000000, -0.0000467200000000, 0.0004159900000000 ] - [ -0.0002385100000000, 0.0001804400000000, 0.0000223900000000 ] - [ 0.0023133200000000, 0.0005497700000000, -0.0002772400000000 ] - [ -0.0002721100000000, -0.0000306400000000, 0.0000853200000000 ] - [ 0.0000175800000000, 0.0001550900000000, 0.0001000000000000 ] - [ 0.0001281500000000, 0.0000350600000000, -0.0000503200000000 ] - [ 0.0004545900000000, 0.0010075800000000, -0.0008228100000000 ] - [ -0.0001022300000000, -0.0003468700000000, 0.0000127300000000 ] - [ -0.0000064200000000, -0.0001902900000000, 0.0000741300000000 ] - [ 0.0003466000000000, -0.0003141100000000, -0.0003647800000000 ] - [ -0.0007415600000000, 0.0004497200000000, 0.0001050000000000 ] - [ -0.0001728900000000, -0.0004319700000000, -0.0022492000000000 ] - [ -0.0000085100000000, 0.0000222300000000, -0.0001975900000000 ] - [ -0.0001583000000000, 0.0001831800000000, 0.0001538400000000 ] - [ -0.0000877300000000, -0.0001857100000000, 0.0004424000000000 ] - [ -0.0002414200000000, -0.0002207100000000, -0.0000066600000000 ] - [ 0.0002148500000000, 0.0004363700000000, 0.0017036100000000 ] - [ -0.0008263800000000, -0.0004739800000000, -0.0000454500000000 ] - [ -0.0000153600000000, -0.0002072400000000, -0.0002870900000000 ] - [ -0.0002554300000000, -0.0000916500000000, -0.0000294700000000 ] - [ -0.0001299600000000, -0.0001645200000000, -0.0000430600000000 ] - [ 0.0001691500000000, -0.0000781400000000, -0.0002737500000000 ] - [ 0.0000597400000000, -0.0007838700000000, 0.0016257700000000 ] - [ 0.0000946100000000, -0.0001092400000000, 0.0001183800000000 ] - [ -0.0002834300000000, 0.0006411900000000, 0.0018907500000000 ] - [ -0.0005650400000000, 0.0000672900000000, 0.0000697000000000 ] - [ -0.0006027100000000, -0.0001577500000000, 0.0000704100000000 ] - [ -0.0006255000000000, -0.0001205500000000, -0.0023955800000000 ] - [ 0.0000088700000000, 0.0004635700000000, -0.0004836400000000 ] - [ 0.0000424600000000, -0.0000371400000000, 0.0001587700000000 ] - [ 0.0007163000000000, -0.0002333100000000, -0.0002654700000000 ] - [ -0.0001829300000000, -0.0000478200000000, 0.0000666800000000 ] - [ -0.0000043800000000, -0.0000391900000000, 0.0000805300000000 ] - [ 0.0000680900000000, -0.0000550200000000, -0.0001373900000000 ] - [ 0.0130262500000000, 0.0089069400000000, -0.0048718600000000 ] - [ 0.0002023100000000, -0.0000800500000000, -0.0000564900000000 ] - [ 0.0004915200000000, -0.0000786000000000, 0.0001692000000000 ] - [ 0.0004171500000000, -0.0000206300000000, -0.0003570600000000 ] - [ -0.0006329300000000, -0.0000553100000000, 0.0002261100000000 ] - [ -0.0003822500000000, -0.0005846700000000, -0.0002038500000000 ] - [ 0.0000047200000000, -0.0011895500000000, -0.0006011700000000 ] - [ -0.0006179600000000, 0.0000082600000000, 0.0001458900000000 ] - [ -0.0014935500000000, -0.0018910800000000, 0.0009607400000000 ] - [ -0.0004926700000000, 0.0000626300000000, 0.0001817100000000 ] - [ -0.0002137300000000, 0.0000525600000000, 0.0003951500000000 ] - [ -0.0002197600000000, 0.0000830900000000, 0.0000084100000000 ] - [ 0.0005869000000000, 0.0007236500000000, 0.0000920500000000 ] - [ -0.0000026400000000, 0.0000258700000000, -0.0001842400000000 ] - [ 0.0003837400000000, 0.0001401400000000, 0.0001524800000000 ] - [ 0.0001565400000000, 0.0001163900000000, -0.0002483700000000 ] - [ 0.0007956800000000, -0.0004860900000000, 0.0001935800000000 ] - [ -0.0007137400000000, -0.0002680100000000, 0.0001872800000000 ] - [ -0.0003999400000000, -0.0001137600000000, 0.0002387400000000 ] - [ -0.0002016500000000, -0.0002686600000000, 0.0000407900000000 ] - [ -0.0023877200000000, 0.0003173000000000, 0.0001623000000000 ] - [ -0.0011595600000000, -0.0000321100000000, -0.0005299500000000 ] - [ 0.0012271800000000, -0.0003870200000000, -0.0001062700000000 ] - [ -0.0000601000000000, -0.0001067100000000, -0.0001674500000000 ] - [ -0.0024420000000000, -0.0002221900000000, -0.0002530600000000 ] - [ -0.0007353700000000, 0.0004404900000000, 0.0004728500000000 ] - [ -0.0000333400000000, 0.0001152200000000, 0.0003396600000000 ] - [ 0.0018735400000000, 0.0004781600000000, 0.0003701000000000 ] - [ -0.0000118700000000, 0.0001633200000000, -0.0002830200000000 ] - [ -0.0006755700000000, 0.0001996300000000, -0.0002734200000000 ] - [ -0.0003373900000000, 0.0007715300000000, -0.0005187400000000 ] - [ -0.0008461400000000, 0.0002474500000000, -0.0004648800000000 ] - [ 0.0002809500000000, -0.0002189700000000, 0.0001158300000000 ] - [ 0.0012056100000000, 0.0010563900000000, -0.0002128900000000 ] - [ -0.0000528900000000, 0.0001489100000000, -0.0000955100000000 ] - [ -0.0000586800000000, 0.0001373800000000, 0.0000756300000000 ] - [ -0.0019166000000000, 0.0020388000000000, -0.0018913600000000 ] - [ 0.0003853500000000, 0.0001558900000000, -0.0000139800000000 ] - [ 0.0007075800000000, -0.0000845400000000, -0.0008631100000000 ] - [ -0.0000707400000000, 0.0003284500000000, 0.0006534700000000 ] - [ -0.0033610500000000, -0.0018381100000000, 0.0011896700000000 ] - [ 0.0000609700000000, -0.0001313800000000, 0.0000553700000000 ] - [ -0.0002967100000000, -0.0001233600000000, -0.0002272800000000 ] - [ -0.0003092800000000, -0.0001639200000000, 0.0001815500000000 ] - [ 0.0010816300000000, 0.0001339400000000, -0.0006427600000000 ] - [ 0.0009700400000000, -0.0006211600000000, 0.0001304500000000 ] - [ -0.0009300300000000, 0.0003638400000000, 0.0014463500000000 ] - [ 0.0006510000000000, -0.0001043000000000, 0.0001302000000000 ] - [ 0.0001732200000000, -0.0000004800000000, -0.0001667800000000 ] - [ 0.0010128700000000, 0.0003631700000000, 0.0013638400000000 ] - [ -0.0023127900000000, -0.0017781000000000, 0.0006160800000000 ] - [ 0.0004052200000000, 0.0000868900000000, 0.0003363000000000 ] - [ -0.0022022300000000, 0.0030631300000000, -0.0004326100000000 ] - [ 0.0003218400000000, 0.0002245300000000, -0.0004914400000000 ] - [ 0.0000072000000000, 0.0002027200000000, -0.0006216100000000 ] - [ -0.0000155400000000, 0.0002452800000000, -0.0001406400000000 ] - [ -0.0017775900000000, -0.0005949700000000, -0.0017530800000000 ] - [ 0.0002387300000000, -0.0000285600000000, -0.0003414200000000 ] - [ 0.0011892700000000, 0.0005987700000000, -0.0011090800000000 ] - [ 0.0001140400000000, -0.0002524900000000, 0.0000244100000000 ] - [ 0.0007340200000000, 0.0006565600000000, 0.0005515300000000 ] - [ 0.0006347400000000, -0.0003762700000000, 0.0004177700000000 ] - [ 0.0002279300000000, -0.0000248900000000, 0.0002225200000000 ] - [ -0.0001697900000000, 0.0000655000000000, 0.0003223900000000 ]- atom: 1 displacement: [ -0.0099999730884809, 0.0000000000000000, 0.0000231997770880 ] forces: - [ 0.0753040500000000, 0.0058735000000000, -0.0057106300000000 ] - [ -0.0010736200000000, -0.0001935900000000, -0.0001093100000000 ] - [ -0.0007681500000000, 0.0002862300000000, 0.0003192200000000 ] - [ -0.0006616600000000, -0.0005797600000000, -0.0007269700000000 ] - [ 0.0015241200000000, -0.0003178700000000, 0.0004638700000000 ] - [ 0.0000844800000000, -0.0000017000000000, -0.0003234100000000 ] - [ -0.0030168300000000, 0.0015959000000000, 0.0043463600000000 ] - [ -0.0022618400000000, 0.0001477400000000, 0.0004694900000000 ] - [ -0.0001138900000000, 0.0007204100000000, -0.0001737200000000 ] - [ -0.0001302100000000, 0.0000518100000000, 0.0002422400000000 ] - [ -0.0003163400000000, 0.0000425400000000, 0.0002677300000000 ] - [ 0.0004201700000000, -0.0000662500000000, -0.0002270700000000 ] - [ 0.0001453000000000, -0.0000254300000000, 0.0003995500000000 ] - [ -0.0003094300000000, -0.0001878500000000, -0.0002828900000000 ] - [ 0.0021460100000000, -0.0003538600000000, 0.0001212300000000 ] - [ 0.0001965200000000, -0.0000780400000000, 0.0003487600000000 ] - [ 0.0009276000000000, 0.0002527900000000, 0.0004220000000000 ] - [ -0.0001670500000000, -0.0003022200000000, 0.0001717500000000 ] - [ 0.0006676900000000, -0.0003314900000000, 0.0001962800000000 ] - [ -0.0000416900000000, -0.0001941300000000, -0.0001861500000000 ] - [ -0.0179637300000000, -0.0024851000000000, 0.0004410700000000 ] - [ -0.0017369200000000, -0.0002531600000000, 0.0000622300000000 ] - [ -0.0005110700000000, -0.0003314000000000, 0.0000549100000000 ] - [ -0.0001549100000000, -0.0001498100000000, -0.0000603600000000 ] - [ -0.0019508100000000, -0.0003814500000000, -0.0001985800000000 ] - [ -0.0050247600000000, -0.0012499700000000, -0.0061021100000000 ] - [ 0.0010360000000000, 0.0000651700000000, -0.0002119800000000 ] - [ 0.0002923900000000, -0.0002227200000000, 0.0006194200000000 ] - [ 0.0017031400000000, 0.0004315100000000, -0.0006302900000000 ] - [ -0.0005060400000000, -0.0002820900000000, -0.0001664300000000 ] - [ -0.0004115700000000, -0.0001782300000000, -0.0003235600000000 ] - [ -0.0001490000000000, -0.0000653500000000, -0.0005174200000000 ] - [ 0.0000471100000000, 0.0002705900000000, -0.0003865700000000 ] - [ 0.0000502100000000, 0.0002143100000000, -0.0000966500000000 ] - [ -0.0007465300000000, 0.0001173900000000, -0.0000806100000000 ] - [ 0.0002082100000000, 0.0001738900000000, -0.0000038700000000 ] - [ -0.0257153900000000, 0.0108969700000000, 0.0199560500000000 ] - [ 0.0006774900000000, 0.0003910300000000, 0.0003331300000000 ] - [ 0.0005732000000000, -0.0000470700000000, -0.0003374900000000 ] - [ 0.0000095000000000, 0.0001980700000000, 0.0001745300000000 ] - [ -0.0217660100000000, -0.0058798600000000, -0.0192685000000000 ] - [ 0.0007747400000000, 0.0001212800000000, -0.0003168300000000 ] - [ 0.0000998100000000, 0.0001812600000000, -0.0001313000000000 ] - [ 0.0005007700000000, 0.0004829600000000, 0.0004793100000000 ] - [ -0.0000442200000000, 0.0001329100000000, -0.0001753600000000 ] - [ 0.0004868000000000, 0.0001498300000000, 0.0002811500000000 ] - [ -0.0010098900000000, 0.0004905100000000, -0.0004366200000000 ] - [ 0.0000469400000000, 0.0002680600000000, -0.0000464800000000 ] - [ -0.0021356800000000, -0.0002308800000000, 0.0002611300000000 ] - [ 0.0004429300000000, 0.0003697500000000, -0.0001130000000000 ] - [ 0.0001513400000000, 0.0001828500000000, -0.0001268600000000 ] - [ 0.0000412000000000, 0.0003039600000000, 0.0000233300000000 ] - [ -0.0002100900000000, -0.0014105600000000, 0.0006550300000000 ] - [ 0.0003464700000000, -0.0000487000000000, -0.0001835400000000 ] - [ 0.0002502900000000, -0.0002043900000000, -0.0002460600000000 ] - [ -0.0001028900000000, -0.0000814000000000, 0.0001922200000000 ] - [ 0.0005735200000000, -0.0001130200000000, -0.0000788100000000 ] - [ -0.0000096800000000, 0.0007863800000000, 0.0022755400000000 ] - [ -0.0001634800000000, 0.0003145600000000, 0.0002240200000000 ] - [ -0.0000127200000000, 0.0001540500000000, -0.0001281100000000 ] - [ -0.0001569600000000, -0.0002076100000000, -0.0002722000000000 ] - [ -0.0000042300000000, -0.0001733400000000, 0.0001777200000000 ] - [ -0.0004720100000000, -0.0008506200000000, -0.0015340000000000 ] - [ 0.0005846300000000, 0.0000820400000000, 0.0002173400000000 ] - [ 0.0000237400000000, -0.0000105500000000, -0.0000068300000000 ] - [ 0.0002640500000000, -0.0001264000000000, -0.0002648100000000 ] - [ 0.0001376000000000, -0.0000542900000000, -0.0002522200000000 ] - [ -0.0001614300000000, -0.0001408400000000, -0.0000208800000000 ] - [ -0.0000543800000000, 0.0005585500000000, -0.0013303100000000 ] - [ -0.0001048200000000, -0.0001101100000000, 0.0001751300000000 ] - [ 0.0002573200000000, -0.0008527800000000, -0.0015990400000000 ] - [ 0.0005569900000000, -0.0002871700000000, 0.0002256100000000 ] - [ 0.0005370500000000, 0.0001128700000000, -0.0000963800000000 ] - [ 0.0005374900000000, 0.0000567500000000, 0.0023807700000000 ] - [ -0.0000616300000000, -0.0005023700000000, 0.0004577000000000 ] - [ -0.0001075700000000, -0.0000088800000000, -0.0001862500000000 ] - [ -0.0006550900000000, 0.0001893900000000, 0.0002953500000000 ] - [ 0.0002499500000000, 0.0000035000000000, -0.0000405200000000 ] - [ 0.0000706900000000, -0.0000053600000000, -0.0000540500000000 ] - [ -0.0000021900000000, 0.0000100100000000, 0.0001637500000000 ] - [ -0.0120587200000000, -0.0088730600000000, 0.0046599600000000 ] - [ 0.0007485700000000, -0.0000445600000000, -0.0000808700000000 ] - [ 0.0004576900000000, -0.0000472700000000, -0.0003065300000000 ] - [ 0.0005316800000000, -0.0001040100000000, 0.0002177700000000 ] - [ -0.0003184100000000, -0.0000694800000000, -0.0000900900000000 ] - [ -0.0005716500000000, 0.0004598900000000, 0.0003412300000000 ] - [ -0.0009532200000000, 0.0010652400000000, 0.0007389100000000 ] - [ -0.0003329000000000, -0.0001335000000000, -0.0000100700000000 ] - [ 0.0010477400000000, 0.0020665800000000, -0.0006801800000000 ] - [ 0.0000462600000000, 0.0000989400000000, 0.0001035900000000 ] - [ -0.0002335300000000, 0.0001082300000000, -0.0001085600000000 ] - [ -0.0002273200000000, 0.0000771500000000, 0.0002770700000000 ] - [ -0.0001344800000000, -0.0005628600000000, -0.0003783300000000 ] - [ 0.0004465400000000, 0.0001344100000000, -0.0000987000000000 ] - [ 0.0000605300000000, 0.0000204700000000, -0.0004399200000000 ] - [ 0.0002889800000000, 0.0000438100000000, -0.0000354700000000 ] - [ -0.0013302900000000, 0.0000959900000000, 0.0000721200000000 ] - [ 0.0001883200000000, -0.0001252500000000, 0.0000793500000000 ] - [ -0.0001270500000000, -0.0002790500000000, 0.0000279900000000 ] - [ -0.0003260100000000, -0.0001248700000000, 0.0002265700000000 ] - [ 0.0029235300000000, -0.0007146500000000, -0.0004415800000000 ] - [ 0.0017120600000000, -0.0003624900000000, 0.0002684100000000 ] - [ -0.0006996600000000, -0.0000094900000000, -0.0001579200000000 ] - [ 0.0005861300000000, -0.0002879500000000, -0.0000987400000000 ] - [ 0.0032686100000000, 0.0005637200000000, 0.0008442900000000 ] - [ 0.0015614600000000, -0.0001137800000000, 0.0001023300000000 ] - [ 0.0008445900000000, 0.0002175100000000, 0.0002385800000000 ] - [ -0.0010559800000000, -0.0001418300000000, 0.0002035800000000 ] - [ -0.0008000400000000, 0.0001687600000000, -0.0002952300000000 ] - [ -0.0001358300000000, 0.0001320400000000, -0.0003045600000000 ] - [ -0.0004628400000000, -0.0004360900000000, -0.0000600400000000 ] - [ 0.0000357500000000, 0.0000840400000000, -0.0001126000000000 ] - [ -0.0002370700000000, 0.0004537800000000, -0.0000915500000000 ] - [ -0.0011692800000000, -0.0008218700000000, 0.0002242600000000 ] - [ 0.0000969600000000, 0.0000865600000000, 0.0001187000000000 ] - [ 0.0001019300000000, 0.0000965900000000, -0.0000518000000000 ] - [ 0.0018770600000000, -0.0018092700000000, 0.0018665900000000 ] - [ -0.0004323900000000, 0.0000780300000000, -0.0000097000000000 ] - [ -0.0007489600000000, 0.0003182900000000, 0.0008372000000000 ] - [ 0.0000244700000000, -0.0000975200000000, -0.0006831700000000 ] - [ 0.0026128900000000, 0.0016046100000000, -0.0012279900000000 ] - [ -0.0008219900000000, -0.0000955400000000, -0.0000876900000000 ] - [ -0.0004622200000000, -0.0001040600000000, 0.0001961300000000 ] - [ -0.0004491000000000, -0.0000627900000000, -0.0002135600000000 ] - [ -0.0003272500000000, -0.0003610300000000, 0.0006808400000000 ] - [ -0.0002127000000000, 0.0003901500000000, -0.0001021800000000 ] - [ 0.0016817500000000, -0.0005915300000000, -0.0014174800000000 ] - [ 0.0001036000000000, -0.0001231500000000, -0.0000992500000000 ] - [ 0.0000106400000000, 0.0003958800000000, 0.0009319700000000 ] - [ -0.0008231600000000, 0.0000330400000000, -0.0006014400000000 ] - [ 0.0025119400000000, 0.0021748900000000, 0.0001522300000000 ] - [ -0.0002224400000000, 0.0003086300000000, 0.0004246600000000 ] - [ 0.0020230800000000, -0.0026680000000000, -0.0003252900000000 ] - [ -0.0005102700000000, 0.0001688100000000, -0.0002692700000000 ] - [ -0.0001934700000000, 0.0001916000000000, -0.0001391800000000 ] - [ -0.0001704200000000, 0.0001485800000000, -0.0006203900000000 ] - [ 0.0015274000000000, 0.0006361800000000, 0.0012018200000000 ] - [ -0.0004829600000000, 0.0000681100000000, -0.0002108600000000 ] - [ -0.0014429600000000, -0.0005486100000000, 0.0005660000000000 ] - [ -0.0003583700000000, 0.0002929900000000, -0.0005799600000000 ] - [ -0.0004963900000000, -0.0006224900000000, -0.0000010300000000 ] - [ -0.0003936400000000, 0.0004121400000000, 0.0001385000000000 ] - [ 0.0000124300000000, 0.0000639000000000, 0.0003300300000000 ] - [ 0.0004093600000000, -0.0000270800000000, 0.0002306600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0067028300000000, -0.0793734500000000, 0.0099938500000000 ] - [ -0.0002907000000000, -0.0001582100000000, -0.0002819700000000 ] - [ -0.0007696300000000, 0.0003514700000000, 0.0004268700000000 ] - [ 0.0000945800000000, 0.0006706100000000, 0.0007196000000000 ] - [ 0.0005574900000000, -0.0003273000000000, -0.0007186000000000 ] - [ 0.0000930100000000, -0.0000917400000000, -0.0000976800000000 ] - [ -0.0045062800000000, -0.0010458700000000, 0.0051737000000000 ] - [ 0.0000191400000000, 0.0001894100000000, 0.0002063700000000 ] - [ -0.0000910200000000, 0.0003286900000000, 0.0001771900000000 ] - [ 0.0003871100000000, -0.0000149100000000, 0.0000728900000000 ] - [ -0.0000406000000000, -0.0000098300000000, 0.0001123300000000 ] - [ -0.0001104100000000, 0.0001081000000000, 0.0001917300000000 ] - [ 0.0004645400000000, -0.0001929800000000, 0.0001933800000000 ] - [ 0.0002998800000000, 0.0000635700000000, -0.0001261500000000 ] - [ 0.0001284600000000, 0.0000760000000000, -0.0001345700000000 ] - [ 0.0004088600000000, 0.0000859700000000, 0.0000156100000000 ] - [ 0.0003006700000000, -0.0002632000000000, -0.0000698300000000 ] - [ -0.0000280100000000, -0.0000287700000000, 0.0002420600000000 ] - [ 0.0002322700000000, 0.0005260600000000, -0.0002067500000000 ] - [ 0.0003422400000000, -0.0002207800000000, -0.0000447100000000 ] - [ 0.0029013900000000, -0.0026680400000000, -0.0066885600000000 ] - [ 0.0000293200000000, -0.0008727000000000, -0.0009147700000000 ] - [ -0.0004572900000000, -0.0002282200000000, 0.0002070700000000 ] - [ -0.0000870800000000, -0.0000454700000000, 0.0001357400000000 ] - [ 0.0009871000000000, -0.0000925900000000, 0.0006856400000000 ] - [ 0.0030179700000000, 0.0016684900000000, 0.0066462400000000 ] - [ -0.0008411600000000, -0.0009018000000000, -0.0001675100000000 ] - [ 0.0002142900000000, -0.0003477600000000, 0.0003078600000000 ] - [ 0.0009668100000000, 0.0037978000000000, -0.0010176100000000 ] - [ -0.0001481400000000, -0.0001221800000000, -0.0003456600000000 ] - [ -0.0002548600000000, -0.0001973800000000, -0.0002792400000000 ] - [ -0.0001399700000000, -0.0001623100000000, -0.0003278900000000 ] - [ -0.0001435000000000, 0.0001697200000000, -0.0000492000000000 ] - [ -0.0000853500000000, -0.0000678500000000, -0.0000618300000000 ] - [ -0.0000022800000000, -0.0000553300000000, 0.0000776100000000 ] - [ -0.0001135500000000, 0.0001672700000000, -0.0000536500000000 ] - [ -0.0083539100000000, 0.0131871000000000, 0.0103359600000000 ] - [ 0.0000601600000000, 0.0003056500000000, 0.0003215900000000 ] - [ 0.0006073600000000, 0.0000047100000000, -0.0001407000000000 ] - [ 0.0000719000000000, 0.0000438700000000, -0.0002506800000000 ] - [ 0.0016687900000000, 0.0075335400000000, 0.0042900500000000 ] - [ -0.0001574600000000, 0.0003912100000000, 0.0003279200000000 ] - [ 0.0002040800000000, 0.0001100700000000, -0.0002884600000000 ] - [ -0.0004907500000000, -0.0001279300000000, -0.0004530500000000 ] - [ -0.0002721900000000, 0.0002432300000000, 0.0000806300000000 ] - [ 0.0002555000000000, 0.0000167500000000, 0.0001778400000000 ] - [ -0.0000314100000000, 0.0000011200000000, 0.0001458900000000 ] - [ -0.0000927900000000, 0.0001727700000000, 0.0001092700000000 ] - [ 0.0006249600000000, -0.0027005200000000, 0.0013639900000000 ] - [ 0.0000575700000000, 0.0001267400000000, -0.0000095500000000 ] - [ 0.0001474000000000, 0.0002061500000000, -0.0000955100000000 ] - [ 0.0000235700000000, 0.0000938000000000, -0.0000664700000000 ] - [ 0.0009253900000000, -0.0003781400000000, -0.0000735000000000 ] - [ -0.0005265400000000, -0.0003928600000000, 0.0000225600000000 ] - [ 0.0001251400000000, -0.0002035000000000, -0.0000804800000000 ] - [ 0.0001688500000000, -0.0003745900000000, -0.0002522000000000 ] - [ -0.0003153400000000, 0.0003447400000000, 0.0000586100000000 ] - [ 0.0000499400000000, 0.0008511800000000, -0.0007864100000000 ] - [ 0.0001047000000000, 0.0002146800000000, 0.0002952300000000 ] - [ -0.0003416300000000, 0.0001238400000000, 0.0002469600000000 ] - [ -0.0000204600000000, -0.0001482900000000, 0.0002031800000000 ] - [ -0.0001208400000000, -0.0001699800000000, 0.0000646500000000 ] - [ 0.0004708900000000, -0.0010784700000000, -0.0016037600000000 ] - [ -0.0000184400000000, -0.0001333000000000, 0.0001384500000000 ] - [ 0.0001553600000000, -0.0004365200000000, 0.0001438700000000 ] - [ -0.0001417100000000, -0.0003631000000000, 0.0000086600000000 ] - [ 0.0000077000000000, -0.0000949400000000, -0.0000933700000000 ] - [ 0.0000144000000000, -0.0001536600000000, -0.0001357200000000 ] - [ 0.0000807700000000, 0.0006618100000000, -0.0010867300000000 ] - [ 0.0002476500000000, 0.0000732600000000, 0.0001034400000000 ] - [ 0.0012354500000000, 0.0012743000000000, -0.0011065200000000 ] - [ -0.0000063800000000, -0.0000977300000000, 0.0001531800000000 ] - [ -0.0001885900000000, -0.0001242700000000, 0.0000504400000000 ] - [ -0.0012732000000000, 0.0000369200000000, -0.0022235400000000 ] - [ 0.0002584400000000, 0.0010623100000000, -0.0014523900000000 ] - [ -0.0004717300000000, 0.0003811700000000, 0.0001025200000000 ] - [ 0.0000519600000000, -0.0009558000000000, -0.0002004900000000 ] - [ -0.0000071400000000, -0.0000326900000000, -0.0000033600000000 ] - [ 0.0000865200000000, -0.0000246700000000, -0.0000165800000000 ] - [ -0.0000199300000000, 0.0000253600000000, 0.0000727400000000 ] - [ 0.0100784400000000, 0.0524429100000000, -0.0198046200000000 ] - [ 0.0004187000000000, -0.0000427700000000, -0.0001057000000000 ] - [ 0.0005985700000000, -0.0000113300000000, -0.0002488800000000 ] - [ 0.0003413400000000, -0.0000636800000000, -0.0003487000000000 ] - [ -0.0004913600000000, -0.0000276900000000, 0.0000800300000000 ] - [ -0.0005841800000000, -0.0000059000000000, 0.0001262600000000 ] - [ -0.0005072500000000, -0.0002290300000000, -0.0000394700000000 ] - [ -0.0004147000000000, -0.0001875100000000, 0.0000217500000000 ] - [ -0.0006734000000000, 0.0002155100000000, 0.0007102500000000 ] - [ -0.0000758500000000, 0.0002481000000000, 0.0002158100000000 ] - [ -0.0002623200000000, 0.0001303400000000, -0.0000551900000000 ] - [ -0.0002798200000000, 0.0000711000000000, 0.0000895100000000 ] - [ 0.0006278200000000, 0.0006055000000000, -0.0001635700000000 ] - [ 0.0001375100000000, -0.0001680800000000, -0.0004200600000000 ] - [ 0.0003332400000000, -0.0004868800000000, 0.0002413300000000 ] - [ 0.0001985700000000, 0.0000824800000000, -0.0001120300000000 ] - [ -0.0009258600000000, -0.0006887800000000, 0.0001256600000000 ] - [ -0.0003613600000000, -0.0002347900000000, 0.0001039600000000 ] - [ -0.0002271100000000, -0.0002940400000000, 0.0001208300000000 ] - [ -0.0003420500000000, -0.0002538100000000, 0.0001256400000000 ] - [ -0.0009159500000000, 0.0001508400000000, 0.0000069500000000 ] - [ -0.0023953500000000, 0.0001662300000000, -0.0014920600000000 ] - [ -0.0000941100000000, -0.0000053700000000, 0.0000441800000000 ] - [ 0.0005109500000000, -0.0002124000000000, -0.0002053000000000 ] - [ 0.0008189000000000, 0.0003145800000000, 0.0003848500000000 ] - [ 0.0035327300000000, 0.0005471700000000, -0.0007202300000000 ] - [ 0.0000014000000000, 0.0001420700000000, 0.0002328800000000 ] - [ 0.0010014400000000, 0.0002401900000000, 0.0003929800000000 ] - [ -0.0003402500000000, 0.0000831800000000, -0.0003218000000000 ] - [ -0.0004469700000000, 0.0001451600000000, -0.0003052200000000 ] - [ -0.0005959800000000, -0.0006077700000000, -0.0000300000000000 ] - [ -0.0003146000000000, 0.0000753300000000, -0.0002416500000000 ] - [ -0.0000687100000000, 0.0000404500000000, 0.0002057900000000 ] - [ 0.0021247700000000, 0.0025396100000000, 0.0013703200000000 ] - [ -0.0000408800000000, 0.0000067200000000, 0.0000296100000000 ] - [ -0.0000175900000000, 0.0000935700000000, 0.0000220900000000 ] - [ 0.0008330400000000, -0.0013025900000000, -0.0010144400000000 ] - [ 0.0000775200000000, 0.0001461100000000, -0.0000410700000000 ] - [ -0.0006153900000000, 0.0002854500000000, 0.0008997600000000 ] - [ 0.0001893700000000, 0.0002461800000000, -0.0000788600000000 ] - [ -0.0030612100000000, 0.0033713400000000, 0.0019379100000000 ] - [ -0.0001324600000000, -0.0000946800000000, 0.0001025200000000 ] - [ -0.0003888400000000, -0.0001066800000000, -0.0000897600000000 ] - [ -0.0002424200000000, -0.0001250000000000, -0.0000014600000000 ] - [ 0.0001843600000000, -0.0001302000000000, -0.0002385800000000 ] - [ 0.0000185200000000, -0.0011101000000000, -0.0005935000000000 ] - [ 0.0004838900000000, 0.0002810400000000, 0.0007512500000000 ] - [ 0.0003431400000000, -0.0001333300000000, 0.0000104700000000 ] - [ -0.0001215200000000, 0.0003227900000000, 0.0002040700000000 ] - [ 0.0007232300000000, 0.0006762400000000, 0.0012535500000000 ] - [ -0.0027293600000000, -0.0012818400000000, -0.0020998900000000 ] - [ 0.0002029600000000, 0.0001306200000000, 0.0002694200000000 ] - [ 0.0010758200000000, 0.0028773900000000, 0.0000121800000000 ] - [ -0.0000728800000000, 0.0002559100000000, -0.0003775400000000 ] - [ -0.0002073300000000, 0.0001382200000000, -0.0003474800000000 ] - [ -0.0000751100000000, 0.0001419200000000, -0.0003588800000000 ] - [ -0.0006659400000000, 0.0006069500000000, -0.0000305600000000 ] - [ 0.0000194900000000, 0.0000215300000000, -0.0002508300000000 ] - [ 0.0025908500000000, -0.0010605800000000, -0.0033549800000000 ] - [ 0.0000280700000000, -0.0001866400000000, -0.0004900700000000 ] - [ 0.0002267900000000, 0.0001120400000000, 0.0003377400000000 ] - [ -0.0008240100000000, 0.0010535500000000, 0.0004957200000000 ] - [ 0.0001590500000000, -0.0000442800000000, 0.0003157000000000 ] - [ 0.0001451400000000, -0.0001223800000000, 0.0003436500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0053902400000000, 0.0769300900000000, -0.0094410400000000 ] - [ -0.0004960000000000, -0.0000303200000000, -0.0000165300000000 ] - [ -0.0000137900000000, -0.0005482300000000, -0.0007351600000000 ] - [ -0.0008866200000000, -0.0008577800000000, -0.0010174100000000 ] - [ -0.0004075100000000, 0.0003473000000000, 0.0003542100000000 ] - [ 0.0000698900000000, 0.0001063300000000, -0.0002678500000000 ] - [ 0.0046479400000000, 0.0010243800000000, -0.0055274000000000 ] - [ 0.0001581600000000, -0.0001723100000000, -0.0005757400000000 ] - [ -0.0000715300000000, -0.0003113500000000, 0.0001886100000000 ] - [ -0.0005484000000000, 0.0000359700000000, 0.0002928900000000 ] - [ -0.0001191000000000, 0.0000244500000000, 0.0002547800000000 ] - [ -0.0000544700000000, -0.0000944100000000, 0.0001730200000000 ] - [ 0.0003294400000000, 0.0000087600000000, 0.0001082200000000 ] - [ 0.0004879800000000, -0.0002583600000000, 0.0004373700000000 ] - [ 0.0006562000000000, -0.0002555600000000, 0.0004372300000000 ] - [ 0.0003822700000000, -0.0002763300000000, 0.0002834800000000 ] - [ 0.0003434300000000, -0.0001770600000000, 0.0002140500000000 ] - [ 0.0006884500000000, -0.0004035000000000, -0.0001019200000000 ] - [ 0.0004216200000000, -0.0009539500000000, 0.0003478700000000 ] - [ 0.0003092900000000, -0.0002086000000000, 0.0001889100000000 ] - [ -0.0034446600000000, 0.0022579000000000, 0.0065393000000000 ] - [ -0.0006674300000000, 0.0004453700000000, 0.0007719100000000 ] - [ -0.0001948500000000, -0.0002057100000000, -0.0003513600000000 ] - [ -0.0005679500000000, -0.0003872300000000, -0.0002830700000000 ] - [ -0.0005646100000000, -0.0002092400000000, -0.0000315800000000 ] - [ -0.0026378400000000, -0.0019526800000000, -0.0059750300000000 ] - [ 0.0012444300000000, 0.0006013200000000, 0.0008302000000000 ] - [ 0.0001992100000000, 0.0000509500000000, 0.0003483600000000 ] - [ -0.0014062000000000, -0.0041738800000000, 0.0003834700000000 ] - [ -0.0002609400000000, -0.0001768200000000, -0.0003151500000000 ] - [ -0.0001551800000000, -0.0001024700000000, -0.0003802100000000 ] - [ -0.0002731800000000, -0.0001375100000000, -0.0003282100000000 ] - [ -0.0000908000000000, 0.0002100300000000, -0.0001092600000000 ] - [ -0.0001426300000000, 0.0004522100000000, -0.0001037600000000 ] - [ -0.0002261900000000, 0.0004339400000000, -0.0002351700000000 ] - [ -0.0001199300000000, 0.0002122000000000, -0.0001047100000000 ] - [ 0.0084149700000000, -0.0127787900000000, -0.0100493200000000 ] - [ 0.0001653600000000, 0.0000715400000000, -0.0001670400000000 ] - [ -0.0003827100000000, 0.0003777400000000, 0.0003049200000000 ] - [ 0.0001618900000000, 0.0003372500000000, 0.0004109700000000 ] - [ -0.0016142400000000, -0.0071583300000000, -0.0043432400000000 ] - [ 0.0003435100000000, 0.0000598800000000, -0.0003021600000000 ] - [ -0.0000106200000000, 0.0003423900000000, 0.0003150800000000 ] - [ 0.0006818300000000, 0.0005799000000000, 0.0004713000000000 ] - [ 0.0000817400000000, 0.0002095600000000, -0.0001049900000000 ] - [ -0.0004531100000000, 0.0004363200000000, -0.0002062100000000 ] - [ -0.0001601700000000, 0.0004443900000000, -0.0001654800000000 ] - [ -0.0001023600000000, 0.0002778500000000, -0.0001329100000000 ] - [ -0.0004622900000000, 0.0030762900000000, -0.0014151700000000 ] - [ 0.0001091300000000, 0.0002107800000000, -0.0000164100000000 ] - [ 0.0000198400000000, 0.0001323400000000, 0.0000706200000000 ] - [ 0.0001457600000000, 0.0002443600000000, 0.0000396700000000 ] - [ -0.0006677800000000, -0.0000200500000000, -0.0000986100000000 ] - [ 0.0007672200000000, -0.0000036100000000, -0.0001935800000000 ] - [ 0.0001213000000000, -0.0001891700000000, -0.0000905300000000 ] - [ 0.0000802300000000, -0.0000177400000000, 0.0000812900000000 ] - [ 0.0001444400000000, -0.0000040100000000, -0.0000318800000000 ] - [ -0.0002094500000000, -0.0004745900000000, 0.0008330400000000 ] - [ -0.0002689400000000, 0.0001235900000000, -0.0002667700000000 ] - [ 0.0001697100000000, 0.0002153600000000, -0.0002162900000000 ] - [ -0.0002253200000000, -0.0002469600000000, -0.0000324800000000 ] - [ -0.0001275000000000, -0.0002229000000000, 0.0001051800000000 ] - [ -0.0007143400000000, 0.0006832200000000, 0.0017757100000000 ] - [ -0.0002327000000000, -0.0002624800000000, 0.0000323000000000 ] - [ -0.0001433700000000, 0.0002203400000000, -0.0004365400000000 ] - [ 0.0001491900000000, 0.0001470600000000, -0.0003021500000000 ] - [ 0.0000023100000000, -0.0001215600000000, -0.0001999400000000 ] - [ -0.0000034500000000, -0.0000616900000000, -0.0001580100000000 ] - [ -0.0000804400000000, -0.0008867200000000, 0.0013863300000000 ] - [ -0.0002612900000000, -0.0002898800000000, 0.0001841200000000 ] - [ -0.0012621700000000, -0.0014670400000000, 0.0014301000000000 ] - [ -0.0000080300000000, -0.0001163500000000, 0.0001390500000000 ] - [ 0.0001182900000000, 0.0000784900000000, -0.0000728100000000 ] - [ 0.0012092600000000, -0.0001059700000000, 0.0022271100000000 ] - [ -0.0003148800000000, -0.0011012000000000, 0.0014311000000000 ] - [ 0.0004023400000000, -0.0004257000000000, -0.0001220800000000 ] - [ 0.0000162100000000, 0.0009169200000000, 0.0002315500000000 ] - [ 0.0000750600000000, -0.0000121500000000, 0.0000273100000000 ] - [ -0.0000173300000000, -0.0000200600000000, 0.0000415900000000 ] - [ 0.0000898800000000, -0.0000715900000000, -0.0000522100000000 ] - [ -0.0083585700000000, -0.0506310800000000, 0.0186643600000000 ] - [ 0.0005283100000000, -0.0000764300000000, -0.0000318000000000 ] - [ 0.0003472100000000, -0.0001101900000000, 0.0001151000000000 ] - [ 0.0006079400000000, -0.0000557700000000, 0.0002098600000000 ] - [ -0.0004570600000000, -0.0000931100000000, 0.0000573900000000 ] - [ -0.0003631800000000, -0.0001064300000000, 0.0000089800000000 ] - [ -0.0004330100000000, 0.0000970600000000, 0.0001731300000000 ] - [ -0.0005350400000000, 0.0000685600000000, 0.0001169900000000 ] - [ 0.0002366000000000, -0.0000624100000000, -0.0004171800000000 ] - [ -0.0003712300000000, -0.0000924200000000, 0.0000714300000000 ] - [ -0.0001788000000000, 0.0000287600000000, 0.0003453700000000 ] - [ -0.0001627000000000, 0.0000864800000000, 0.0001978900000000 ] - [ -0.0001773000000000, -0.0004357500000000, -0.0001223800000000 ] - [ 0.0003030300000000, 0.0003268300000000, 0.0001329300000000 ] - [ 0.0001100700000000, 0.0006417800000000, -0.0005254800000000 ] - [ 0.0002434800000000, 0.0000756600000000, -0.0001741400000000 ] - [ 0.0004215500000000, 0.0003006100000000, 0.0001351600000000 ] - [ -0.0001685100000000, -0.0001543800000000, 0.0001588200000000 ] - [ -0.0003020100000000, -0.0000946400000000, 0.0001428900000000 ] - [ -0.0001851600000000, -0.0001352600000000, 0.0001364300000000 ] - [ 0.0014317300000000, -0.0005347000000000, -0.0002657900000000 ] - [ 0.0029421200000000, -0.0005572700000000, 0.0012189000000000 ] - [ 0.0006301500000000, -0.0003854100000000, -0.0003060600000000 ] - [ 0.0000133300000000, -0.0001756200000000, -0.0000575300000000 ] - [ -0.0000242800000000, 0.0000151300000000, 0.0001847100000000 ] - [ -0.0027247100000000, -0.0002063400000000, 0.0013042800000000 ] - [ 0.0008094900000000, 0.0001902300000000, 0.0003409900000000 ] - [ -0.0001852200000000, 0.0000936800000000, 0.0001775600000000 ] - [ -0.0004699800000000, 0.0002506400000000, -0.0002511400000000 ] - [ -0.0003676800000000, 0.0001880200000000, -0.0002686200000000 ] - [ -0.0002062300000000, 0.0009371100000000, -0.0005434000000000 ] - [ -0.0004961200000000, 0.0002559600000000, -0.0003314700000000 ] - [ 0.0001141100000000, 0.0001947300000000, -0.0001774400000000 ] - [ -0.0020674300000000, -0.0022891100000000, -0.0013354300000000 ] - [ 0.0000847900000000, 0.0002328500000000, -0.0000047500000000 ] - [ 0.0000625300000000, 0.0001448500000000, 0.0000022400000000 ] - [ -0.0008923600000000, 0.0015573700000000, 0.0009973600000000 ] - [ -0.0001196000000000, 0.0000930600000000, 0.0000167500000000 ] - [ 0.0005776000000000, -0.0000524400000000, -0.0009304000000000 ] - [ -0.0002344900000000, -0.0000064400000000, 0.0000573900000000 ] - [ 0.0022735200000000, -0.0035786500000000, -0.0019425900000000 ] - [ -0.0006214900000000, -0.0001313800000000, -0.0001354000000000 ] - [ -0.0003680100000000, -0.0001189300000000, 0.0000545300000000 ] - [ -0.0005155000000000, -0.0001012700000000, -0.0000319400000000 ] - [ 0.0005761800000000, -0.0000926600000000, 0.0002721700000000 ] - [ 0.0007520400000000, 0.0008929100000000, 0.0006428400000000 ] - [ 0.0002606300000000, -0.0005074800000000, -0.0007049000000000 ] - [ 0.0004172300000000, -0.0000919200000000, 0.0000239400000000 ] - [ 0.0003060400000000, 0.0000699900000000, 0.0005535000000000 ] - [ -0.0005462900000000, -0.0002816800000000, -0.0004970100000000 ] - [ 0.0028927600000000, 0.0016776500000000, 0.0028481900000000 ] - [ -0.0000166500000000, 0.0002628600000000, 0.0004907800000000 ] - [ -0.0012862900000000, -0.0024815400000000, -0.0007925700000000 ] - [ -0.0001066800000000, 0.0001394500000000, -0.0003847300000000 ] - [ 0.0000269500000000, 0.0002580800000000, -0.0004151600000000 ] - [ -0.0001086500000000, 0.0002548100000000, -0.0004010000000000 ] - [ 0.0004211800000000, -0.0005729300000000, -0.0005412300000000 ] - [ -0.0002569900000000, 0.0000166600000000, -0.0003037900000000 ] - [ -0.0028071600000000, 0.0011109800000000, 0.0027822000000000 ] - [ -0.0002687200000000, 0.0002211900000000, -0.0000642000000000 ] - [ 0.0000139200000000, -0.0000681000000000, 0.0002153000000000 ] - [ 0.0010795800000000, -0.0010243700000000, 0.0000456300000000 ] - [ 0.0000804300000000, 0.0000840600000000, 0.0002374700000000 ] - [ 0.0000928500000000, 0.0001631900000000, 0.0002092000000000 ]- atom: 1 displacement: [ -0.0045549923526468, 0.0000000000000000, 0.0089023617466001 ] forces: - [ 0.0391415000000000, 0.0107049700000000, -0.0602609000000000 ] - [ -0.0007351000000000, -0.0002566100000000, -0.0007401500000000 ] - [ -0.0009715500000000, 0.0005905500000000, 0.0010409000000000 ] - [ 0.0000027600000000, 0.0004560700000000, 0.0005339900000000 ] - [ 0.0009227400000000, -0.0003328800000000, -0.0004563800000000 ] - [ 0.0002991200000000, -0.0002160900000000, -0.0000216200000000 ] - [ -0.0071568900000000, 0.0029876200000000, 0.0093977200000000 ] - [ -0.0016806300000000, 0.0004717100000000, 0.0008064400000000 ] - [ 0.0000347200000000, 0.0001785700000000, 0.0003030700000000 ] - [ -0.0005915300000000, 0.0000038300000000, 0.0002000800000000 ] - [ 0.0000011400000000, 0.0000204500000000, 0.0002340300000000 ] - [ -0.0000406800000000, 0.0001050900000000, 0.0003678700000000 ] - [ 0.0000598600000000, -0.0001013900000000, 0.0002342800000000 ] - [ 0.0004515200000000, 0.0001104600000000, -0.0005691000000000 ] - [ 0.0012127100000000, 0.0000406400000000, 0.0003145000000000 ] - [ 0.0001280800000000, 0.0000308800000000, 0.0004014800000000 ] - [ 0.0005588100000000, 0.0005880200000000, 0.0003070400000000 ] - [ 0.0003245400000000, -0.0003040000000000, 0.0001765700000000 ] - [ 0.0006308500000000, -0.0001418200000000, 0.0000811900000000 ] - [ 0.0001375500000000, -0.0002212100000000, 0.0000389000000000 ] - [ -0.0082567300000000, -0.0072198400000000, -0.0126188900000000 ] - [ -0.0011779400000000, -0.0009206700000000, -0.0018888500000000 ] - [ -0.0003847600000000, -0.0003708100000000, 0.0005761200000000 ] - [ -0.0001161800000000, 0.0000676700000000, 0.0004178400000000 ] - [ 0.0001459400000000, 0.0002380800000000, 0.0009603500000000 ] - [ 0.0055220400000000, 0.0036146500000000, 0.0058183400000000 ] - [ 0.0004621200000000, -0.0001984000000000, -0.0002940700000000 ] - [ -0.0000250300000000, -0.0004852200000000, 0.0009465600000000 ] - [ 0.0005424700000000, -0.0014491900000000, -0.0004256600000000 ] - [ -0.0002091800000000, -0.0002551900000000, -0.0002499000000000 ] - [ -0.0006394400000000, -0.0001849800000000, -0.0002117600000000 ] - [ -0.0000257500000000, -0.0000903700000000, -0.0002700200000000 ] - [ 0.0001658700000000, 0.0001183400000000, -0.0001371400000000 ] - [ -0.0004194300000000, 0.0002972000000000, 0.0000571500000000 ] - [ -0.0006260100000000, 0.0001071500000000, -0.0002476500000000 ] - [ 0.0001580300000000, 0.0002313000000000, -0.0001331800000000 ] - [ -0.0222886000000000, 0.0125803300000000, 0.0289044700000000 ] - [ 0.0005309300000000, 0.0005433600000000, 0.0009383800000000 ] - [ 0.0007505700000000, -0.0002134400000000, -0.0004294500000000 ] - [ 0.0000203700000000, -0.0000846500000000, -0.0003641400000000 ] - [ 0.0001151200000000, 0.0019469100000000, 0.0133438300000000 ] - [ 0.0002825900000000, 0.0003850200000000, 0.0004025800000000 ] - [ 0.0002501200000000, 0.0000237300000000, -0.0005982100000000 ] - [ -0.0002634800000000, -0.0001391300000000, -0.0002623500000000 ] - [ 0.0001400300000000, 0.0001274200000000, -0.0002060700000000 ] - [ -0.0000290600000000, 0.0001356500000000, 0.0001371600000000 ] - [ -0.0006198500000000, 0.0004194500000000, -0.0002601100000000 ] - [ 0.0001485600000000, 0.0002602000000000, -0.0000219100000000 ] - [ -0.0011530500000000, 0.0013433600000000, 0.0008188500000000 ] - [ 0.0002279200000000, 0.0002186100000000, 0.0000057700000000 ] - [ 0.0003463100000000, 0.0001867100000000, -0.0003536500000000 ] - [ -0.0001813600000000, 0.0002621000000000, -0.0002743200000000 ] - [ -0.0003334200000000, -0.0006726000000000, 0.0003250300000000 ] - [ 0.0005700000000000, -0.0001059200000000, 0.0000645100000000 ] - [ 0.0001378800000000, -0.0001451700000000, -0.0002961100000000 ] - [ 0.0000716600000000, -0.0003862100000000, -0.0004047600000000 ] - [ -0.0001731900000000, 0.0002260200000000, 0.0001039200000000 ] - [ -0.0009316000000000, -0.0012568600000000, -0.0005889400000000 ] - [ -0.0004076400000000, 0.0000636600000000, -0.0002965300000000 ] - [ 0.0001546700000000, 0.0001922200000000, -0.0003151200000000 ] - [ 0.0001257700000000, -0.0001419700000000, -0.0002376500000000 ] - [ -0.0002378100000000, -0.0000967900000000, -0.0000315900000000 ] - [ 0.0008025800000000, -0.0016018700000000, -0.0025590400000000 ] - [ 0.0005340300000000, 0.0001740400000000, 0.0002550700000000 ] - [ -0.0001649600000000, -0.0001411700000000, 0.0001066500000000 ] - [ 0.0002752600000000, -0.0000763500000000, -0.0000752200000000 ] - [ 0.0000956600000000, -0.0000714600000000, -0.0003282500000000 ] - [ 0.0000166600000000, -0.0001401800000000, -0.0002763900000000 ] - [ -0.0002855000000000, 0.0005033100000000, -0.0010662800000000 ] - [ 0.0000750400000000, 0.0001237700000000, -0.0000348600000000 ] - [ 0.0008779200000000, -0.0010756600000000, -0.0017280000000000 ] - [ 0.0003899900000000, -0.0002615500000000, 0.0002205300000000 ] - [ 0.0000133100000000, -0.0000916800000000, 0.0000397900000000 ] - [ -0.0016505800000000, -0.0000700300000000, -0.0015452000000000 ] - [ 0.0001557500000000, -0.0000618300000000, 0.0001006900000000 ] - [ -0.0002393300000000, 0.0002801400000000, -0.0004185300000000 ] - [ -0.0003846800000000, 0.0005268900000000, 0.0013438000000000 ] - [ 0.0001436400000000, 0.0000365400000000, 0.0000019500000000 ] - [ 0.0001457400000000, 0.0000149700000000, -0.0001686200000000 ] - [ -0.0001657600000000, -0.0000155900000000, -0.0001765100000000 ] - [ -0.0090925200000000, -0.0208265600000000, 0.0197282000000000 ] - [ 0.0005926400000000, -0.0001628500000000, -0.0000192900000000 ] - [ 0.0007004800000000, 0.0000293600000000, -0.0005957800000000 ] - [ 0.0003115100000000, -0.0000999600000000, -0.0002632700000000 ] - [ -0.0003642700000000, -0.0001065700000000, -0.0000084400000000 ] - [ -0.0006722700000000, -0.0002043600000000, -0.0000388300000000 ] - [ -0.0007335800000000, -0.0004130400000000, -0.0000265200000000 ] - [ -0.0002428000000000, -0.0002530800000000, -0.0000814700000000 ] - [ 0.0004813000000000, 0.0011524800000000, 0.0011470900000000 ] - [ -0.0001677800000000, 0.0001407600000000, 0.0005437900000000 ] - [ -0.0003075300000000, 0.0002190600000000, -0.0004917300000000 ] - [ -0.0002251700000000, 0.0000935600000000, 0.0000417200000000 ] - [ -0.0000951200000000, -0.0008523400000000, -0.0002246700000000 ] - [ 0.0004082200000000, -0.0000735300000000, -0.0000064000000000 ] - [ 0.0002932200000000, 0.0000148600000000, -0.0005697100000000 ] - [ 0.0002486500000000, 0.0000390800000000, -0.0001607000000000 ] - [ -0.0005342500000000, 0.0000562500000000, 0.0004882900000000 ] - [ -0.0001733900000000, -0.0001774400000000, 0.0002009500000000 ] - [ 0.0000946200000000, -0.0003422200000000, -0.0001650400000000 ] - [ -0.0004931000000000, -0.0001654100000000, 0.0000608300000000 ] - [ -0.0000386000000000, -0.0003036200000000, -0.0001460100000000 ] - [ -0.0046007200000000, -0.0008125100000000, -0.0011525500000000 ] - [ -0.0009223500000000, -0.0000058200000000, -0.0003813200000000 ] - [ 0.0011484300000000, -0.0003196600000000, -0.0003414100000000 ] - [ 0.0031575800000000, 0.0005441500000000, 0.0010648500000000 ] - [ 0.0054641800000000, -0.0007859000000000, -0.0009107500000000 ] - [ -0.0002172200000000, 0.0001020500000000, 0.0000999600000000 ] - [ 0.0006474400000000, 0.0001478600000000, 0.0001268500000000 ] - [ -0.0004304800000000, 0.0000495800000000, -0.0004747400000000 ] - [ -0.0004366400000000, 0.0001579000000000, -0.0004028200000000 ] - [ -0.0002042900000000, 0.0001391400000000, -0.0001952700000000 ] - [ -0.0005141100000000, 0.0001903600000000, -0.0002048400000000 ] - [ -0.0002266400000000, 0.0002400600000000, -0.0002741300000000 ] - [ -0.0016609500000000, -0.0002824300000000, -0.0021361000000000 ] - [ 0.0002283100000000, 0.0000260000000000, 0.0005132900000000 ] - [ -0.0001823800000000, 0.0000432600000000, 0.0002819500000000 ] - [ -0.0001298900000000, -0.0029229700000000, 0.0021042500000000 ] - [ 0.0000043300000000, 0.0001346900000000, -0.0000967500000000 ] - [ -0.0013627500000000, 0.0004632200000000, 0.0019388500000000 ] - [ 0.0003282100000000, -0.0001423900000000, -0.0004296900000000 ] - [ 0.0021247900000000, 0.0024294100000000, -0.0028271300000000 ] - [ -0.0005421000000000, -0.0001127800000000, -0.0002149300000000 ] - [ -0.0005461700000000, -0.0000994700000000, 0.0004063100000000 ] - [ -0.0001511200000000, -0.0000341500000000, 0.0001529600000000 ] - [ -0.0001811800000000, -0.0001507300000000, 0.0001616600000000 ] - [ 0.0009798800000000, -0.0008243800000000, 0.0000736100000000 ] - [ 0.0016470400000000, -0.0002106900000000, 0.0005856600000000 ] - [ -0.0000580500000000, -0.0001265100000000, -0.0000345500000000 ] - [ -0.0002784000000000, 0.0002107500000000, 0.0005441500000000 ] - [ 0.0009218600000000, 0.0006146200000000, 0.0015970500000000 ] - [ 0.0021779800000000, -0.0007136600000000, 0.0027383900000000 ] - [ -0.0002897600000000, 0.0003156300000000, 0.0004054300000000 ] - [ 0.0008415400000000, 0.0014688500000000, -0.0020401000000000 ] - [ -0.0004254900000000, 0.0001160400000000, -0.0004310000000000 ] - [ -0.0003239300000000, 0.0001917400000000, 0.0000266400000000 ] - [ 0.0000654700000000, 0.0001404000000000, -0.0000920600000000 ] - [ -0.0000880800000000, 0.0008454800000000, 0.0013823700000000 ] - [ 0.0000009500000000, 0.0000975400000000, -0.0002610800000000 ] - [ -0.0016725400000000, -0.0012946000000000, 0.0009846800000000 ] - [ 0.0000651600000000, 0.0003175300000000, -0.0003989100000000 ] - [ 0.0001461500000000, -0.0004601900000000, 0.0000353200000000 ] - [ -0.0005002100000000, 0.0009246100000000, -0.0010277300000000 ] - [ 0.0002181900000000, -0.0000809700000000, 0.0005755300000000 ] - [ 0.0000539300000000, -0.0002343400000000, 0.0006307400000000 ]- atom: 1 displacement: [ 0.0045549923526468, 0.0000000000000000, -0.0089023617466001 ] forces: - [ -0.0385771400000000, -0.0120841600000000, 0.0589860500000000 ] - [ -0.0000471600000000, 0.0000696400000000, 0.0004470900000000 ] - [ 0.0001869500000000, -0.0007900100000000, -0.0013558400000000 ] - [ -0.0007902700000000, -0.0006447600000000, -0.0008299100000000 ] - [ -0.0007827200000000, 0.0003539800000000, 0.0000893900000000 ] - [ -0.0001372000000000, 0.0002262500000000, -0.0003410700000000 ] - [ 0.0074332900000000, -0.0030151500000000, -0.0100148900000000 ] - [ 0.0018324400000000, -0.0004552100000000, -0.0011685000000000 ] - [ -0.0001976500000000, -0.0001661800000000, 0.0000645000000000 ] - [ 0.0004251500000000, 0.0000147200000000, 0.0001643300000000 ] - [ -0.0001639400000000, -0.0000096200000000, 0.0001364000000000 ] - [ -0.0001231000000000, -0.0000921400000000, -0.0000023300000000 ] - [ 0.0007307800000000, -0.0000887500000000, 0.0000666000000000 ] - [ 0.0003328200000000, -0.0003061900000000, 0.0008676400000000 ] - [ -0.0004280500000000, -0.0002295700000000, -0.0000115300000000 ] - [ 0.0006597000000000, -0.0002236700000000, -0.0001018400000000 ] - [ 0.0000907100000000, -0.0010258500000000, -0.0001666600000000 ] - [ 0.0003250200000000, -0.0001267600000000, -0.0000324200000000 ] - [ 0.0000166400000000, -0.0002804000000000, 0.0000700500000000 ] - [ 0.0005188300000000, -0.0002116900000000, 0.0001039600000000 ] - [ 0.0076559900000000, 0.0067519400000000, 0.0124558800000000 ] - [ 0.0005449800000000, 0.0004859100000000, 0.0017546400000000 ] - [ -0.0002683900000000, -0.0000656100000000, -0.0007184600000000 ] - [ -0.0005393000000000, -0.0005054500000000, -0.0005633800000000 ] - [ 0.0002771000000000, -0.0005404500000000, -0.0003050200000000 ] - [ -0.0051191600000000, -0.0038681200000000, -0.0050899000000000 ] - [ -0.0000615100000000, -0.0001041900000000, 0.0009610200000000 ] - [ 0.0004340800000000, 0.0001918900000000, -0.0002948600000000 ] - [ -0.0009438500000000, 0.0011487300000000, -0.0002392900000000 ] - [ -0.0002038700000000, -0.0000455900000000, -0.0004098400000000 ] - [ 0.0002302200000000, -0.0001170400000000, -0.0004484800000000 ] - [ -0.0003866000000000, -0.0002107800000000, -0.0003900600000000 ] - [ -0.0004016900000000, 0.0002621800000000, -0.0000226900000000 ] - [ 0.0001900700000000, 0.0000822300000000, -0.0002174000000000 ] - [ 0.0003970500000000, 0.0002721700000000, 0.0000896300000000 ] - [ -0.0003911000000000, 0.0001475300000000, -0.0000240100000000 ] - [ 0.0210241400000000, -0.0116481000000000, -0.0275014400000000 ] - [ -0.0003094800000000, -0.0001682300000000, -0.0007848400000000 ] - [ -0.0005297100000000, 0.0005947900000000, 0.0006011500000000 ] - [ 0.0002117100000000, 0.0004639100000000, 0.0005249200000000 ] - [ -0.0000120900000000, -0.0015336000000000, -0.0133917400000000 ] - [ -0.0000996700000000, 0.0000624900000000, -0.0003785600000000 ] - [ -0.0000569900000000, 0.0004263000000000, 0.0006261400000000 ] - [ 0.0004507100000000, 0.0005888000000000, 0.0002838300000000 ] - [ -0.0003353000000000, 0.0003233400000000, 0.0001865400000000 ] - [ -0.0001588600000000, 0.0003122300000000, -0.0001573700000000 ] - [ 0.0004265600000000, 0.0000292100000000, 0.0002368800000000 ] - [ -0.0003412200000000, 0.0001896500000000, -0.0000009200000000 ] - [ 0.0013115000000000, -0.0010123700000000, -0.0008326400000000 ] - [ -0.0000604300000000, 0.0001189700000000, -0.0000330700000000 ] - [ -0.0001793300000000, 0.0001500600000000, 0.0003314100000000 ] - [ 0.0003501800000000, 0.0000754500000000, 0.0002483600000000 ] - [ 0.0005843200000000, 0.0002763900000000, -0.0004935900000000 ] - [ -0.0003244800000000, -0.0002908900000000, -0.0002362300000000 ] - [ 0.0001078800000000, -0.0002491000000000, 0.0001247600000000 ] - [ 0.0001759200000000, -0.0000085900000000, 0.0002345000000000 ] - [ 0.0000029800000000, 0.0001109900000000, -0.0000780500000000 ] - [ 0.0007554200000000, 0.0016237900000000, 0.0006352500000000 ] - [ 0.0002392100000000, 0.0002711900000000, 0.0003232800000000 ] - [ -0.0003240100000000, 0.0001438500000000, 0.0003442100000000 ] - [ -0.0003712100000000, -0.0002535200000000, 0.0004105400000000 ] - [ -0.0000085500000000, -0.0002965600000000, 0.0002049600000000 ] - [ -0.0010714700000000, 0.0011729500000000, 0.0027423200000000 ] - [ -0.0007784400000000, -0.0005668200000000, -0.0000811500000000 ] - [ 0.0001769300000000, -0.0000761100000000, -0.0003986300000000 ] - [ -0.0002669200000000, -0.0001409300000000, -0.0002178600000000 ] - [ -0.0000861100000000, -0.0001473300000000, 0.0000359900000000 ] - [ -0.0000058800000000, -0.0000782900000000, -0.0000144300000000 ] - [ 0.0002878600000000, -0.0007431400000000, 0.0013906700000000 ] - [ -0.0000867700000000, -0.0003376600000000, 0.0003187700000000 ] - [ -0.0008964800000000, 0.0008624200000000, 0.0020208200000000 ] - [ -0.0004011400000000, 0.0000424000000000, 0.0000733400000000 ] - [ -0.0000842200000000, 0.0000452000000000, -0.0000625700000000 ] - [ 0.0015845500000000, 0.0000214400000000, 0.0015294200000000 ] - [ -0.0002157100000000, 0.0000256700000000, -0.0001360700000000 ] - [ 0.0001758900000000, -0.0003345800000000, 0.0004076400000000 ] - [ 0.0004551500000000, -0.0005792800000000, -0.0013237300000000 ] - [ -0.0000753800000000, -0.0000808700000000, 0.0000232600000000 ] - [ -0.0000767700000000, -0.0000608500000000, 0.0001953500000000 ] - [ 0.0002348800000000, -0.0000294800000000, 0.0002023500000000 ] - [ 0.0102259500000000, 0.0213215000000000, -0.0200798300000000 ] - [ 0.0003548400000000, 0.0000402800000000, -0.0001181000000000 ] - [ 0.0002459100000000, -0.0001524400000000, 0.0004637200000000 ] - [ 0.0006357900000000, -0.0000210700000000, 0.0001245100000000 ] - [ -0.0005846100000000, -0.0000144100000000, 0.0001466100000000 ] - [ -0.0002764700000000, 0.0000871700000000, 0.0001786700000000 ] - [ -0.0002096300000000, 0.0002836700000000, 0.0001611000000000 ] - [ -0.0007058100000000, 0.0001344200000000, 0.0002210800000000 ] - [ -0.0009261700000000, -0.0009863500000000, -0.0008576900000000 ] - [ -0.0002773900000000, 0.0000158000000000, -0.0002586100000000 ] - [ -0.0001343800000000, -0.0000622100000000, 0.0007826400000000 ] - [ -0.0002172600000000, 0.0000636500000000, 0.0002476400000000 ] - [ 0.0005462900000000, 0.0010193300000000, -0.0000609200000000 ] - [ 0.0000350800000000, 0.0002266700000000, -0.0002798000000000 ] - [ 0.0001522200000000, 0.0001422900000000, 0.0002833700000000 ] - [ 0.0001931700000000, 0.0001188600000000, -0.0001229400000000 ] - [ 0.0000047400000000, -0.0004438600000000, -0.0002262000000000 ] - [ -0.0003547900000000, -0.0002132800000000, 0.0000633100000000 ] - [ -0.0006250900000000, -0.0000464300000000, 0.0004326100000000 ] - [ -0.0000358000000000, -0.0002258700000000, 0.0002044700000000 ] - [ 0.0005496900000000, -0.0000828300000000, -0.0001195500000000 ] - [ 0.0051426400000000, 0.0003991100000000, 0.0008699100000000 ] - [ 0.0014567500000000, -0.0003853500000000, 0.0001213300000000 ] - [ -0.0006252800000000, -0.0000723300000000, 0.0000821600000000 ] - [ -0.0023277500000000, -0.0002063100000000, -0.0004768300000000 ] - [ -0.0046779800000000, 0.0011331800000000, 0.0015152200000000 ] - [ 0.0010283800000000, 0.0002285300000000, 0.0004748300000000 ] - [ 0.0001668400000000, 0.0001822900000000, 0.0004458100000000 ] - [ -0.0003821300000000, 0.0002827000000000, -0.0000962800000000 ] - [ -0.0003773000000000, 0.0001729200000000, -0.0001703500000000 ] - [ -0.0005965800000000, 0.0001961800000000, -0.0003786600000000 ] - [ -0.0003013700000000, 0.0001418800000000, -0.0003698200000000 ] - [ 0.0002727700000000, -0.0000011000000000, 0.0003005200000000 ] - [ 0.0017010600000000, 0.0005241800000000, 0.0021549400000000 ] - [ -0.0001857800000000, 0.0002153600000000, -0.0004916500000000 ] - [ 0.0002269900000000, 0.0001984100000000, -0.0002609000000000 ] - [ 0.0000799600000000, 0.0031634800000000, -0.0021171000000000 ] - [ -0.0000468600000000, 0.0001052400000000, 0.0000758200000000 ] - [ 0.0013296300000000, -0.0002254700000000, -0.0019812700000000 ] - [ -0.0003701700000000, 0.0003820400000000, 0.0004032000000000 ] - [ -0.0028856200000000, -0.0026707400000000, 0.0027938900000000 ] - [ -0.0002141300000000, -0.0001125100000000, 0.0001785700000000 ] - [ -0.0002119700000000, -0.0001264300000000, -0.0004456000000000 ] - [ -0.0006065100000000, -0.0001911400000000, -0.0001913400000000 ] - [ 0.0009424300000000, -0.0000726200000000, -0.0001177300000000 ] - [ -0.0002240400000000, 0.0005960700000000, -0.0000319500000000 ] - [ -0.0009058200000000, -0.0000071900000000, -0.0005380300000000 ] - [ 0.0008164600000000, -0.0001009900000000, 0.0000722400000000 ] - [ 0.0004602900000000, 0.0001781200000000, 0.0002185800000000 ] - [ -0.0007465500000000, -0.0002200600000000, -0.0008306000000000 ] - [ -0.0020045100000000, 0.0010997500000000, -0.0019637100000000 ] - [ 0.0004701400000000, 0.0000769300000000, 0.0003591500000000 ] - [ -0.0010341100000000, -0.0010645800000000, 0.0012815000000000 ] - [ 0.0002466200000000, 0.0002746500000000, -0.0003292000000000 ] - [ 0.0001459800000000, 0.0001997700000000, -0.0007912100000000 ] - [ -0.0002468900000000, 0.0002504600000000, -0.0006700600000000 ] - [ -0.0001575100000000, -0.0008192100000000, -0.0019557700000000 ] - [ -0.0002368700000000, -0.0000625400000000, -0.0002949900000000 ] - [ 0.0014328200000000, 0.0013499000000000, -0.0015397100000000 ] - [ -0.0002998100000000, -0.0002828200000000, -0.0001589900000000 ] - [ 0.0000904900000000, 0.0004901300000000, 0.0005235000000000 ] - [ 0.0007419600000000, -0.0009034400000000, 0.0015959100000000 ] - [ 0.0000174800000000, 0.0001135000000000, -0.0000186400000000 ] - [ 0.0001813200000000, 0.0002701700000000, -0.0000753600000000 ]- atom: 5 displacement: [ 0.0099999730884809, 0.0000000000000000, -0.0000231997770880 ] forces: - [ -0.0018432400000000, 0.0003910700000000, 0.0000721800000000 ] - [ -0.0003955100000000, -0.0000809100000000, 0.0001001100000000 ] - [ 0.0027273200000000, -0.0046317200000000, -0.0067335000000000 ] - [ 0.0019363200000000, -0.0001685400000000, -0.0009318100000000 ] - [ -0.0949295600000000, 0.0024518500000000, 0.0014031500000000 ] - [ 0.0007368900000000, 0.0000918200000000, -0.0002678100000000 ] - [ -0.0000283000000000, -0.0000067600000000, -0.0003890300000000 ] - [ 0.0002322000000000, -0.0000853600000000, -0.0000723300000000 ] - [ 0.0000134600000000, 0.0000301200000000, 0.0002374800000000 ] - [ -0.0001311200000000, 0.0000162700000000, 0.0000483200000000 ] - [ 0.0002793500000000, -0.0001789700000000, 0.0003888500000000 ] - [ -0.0010578300000000, 0.0003931400000000, -0.0002690700000000 ] - [ 0.0004324800000000, -0.0000866500000000, 0.0002936900000000 ] - [ 0.0004376300000000, -0.0005688500000000, -0.0004023400000000 ] - [ 0.0006272200000000, -0.0001356800000000, 0.0003632500000000 ] - [ -0.0001112100000000, -0.0000672000000000, -0.0000631600000000 ] - [ 0.0010708900000000, 0.0008169900000000, 0.0001035500000000 ] - [ 0.0008419600000000, -0.0002379600000000, 0.0001114700000000 ] - [ 0.0004500800000000, -0.0003108500000000, -0.0000654300000000 ] - [ 0.0001522900000000, -0.0001131000000000, 0.0003733600000000 ] - [ 0.0000764900000000, -0.0003400900000000, 0.0005257900000000 ] - [ -0.0000395800000000, -0.0002920000000000, -0.0001685700000000 ] - [ 0.0029605700000000, -0.0007441500000000, -0.0037126800000000 ] - [ 0.0075367900000000, 0.0028651600000000, 0.0087278600000000 ] - [ -0.0000190400000000, -0.0002844500000000, 0.0006812600000000 ] - [ -0.0001041600000000, 0.0003145100000000, -0.0002210300000000 ] - [ 0.0011936900000000, -0.0002134400000000, 0.0007402500000000 ] - [ -0.0015678400000000, 0.0000721300000000, -0.0001387000000000 ] - [ -0.0007514500000000, -0.0002629900000000, -0.0005264900000000 ] - [ 0.0000468700000000, -0.0000782600000000, -0.0002550200000000 ] - [ 0.0000443600000000, -0.0001567100000000, -0.0001339500000000 ] - [ -0.0000619100000000, -0.0000665500000000, -0.0003578500000000 ] - [ -0.0001925300000000, 0.0002914300000000, -0.0000056600000000 ] - [ -0.0004712400000000, 0.0002457900000000, 0.0001101400000000 ] - [ -0.0002574300000000, 0.0001976400000000, -0.0001041500000000 ] - [ 0.0000682100000000, 0.0002350900000000, -0.0002316500000000 ] - [ 0.0013311700000000, -0.0003244900000000, -0.0005444600000000 ] - [ 0.0000980700000000, 0.0001230900000000, 0.0000207500000000 ] - [ 0.0011634500000000, 0.0011793700000000, 0.0013338800000000 ] - [ -0.0044795200000000, -0.0014410500000000, -0.0026784700000000 ] - [ 0.0002807600000000, 0.0000972700000000, -0.0000617800000000 ] - [ -0.0000781900000000, 0.0002469300000000, 0.0000055800000000 ] - [ 0.0007606800000000, 0.0005233400000000, 0.0014175200000000 ] - [ 0.0002206800000000, -0.0001696000000000, -0.0005159900000000 ] - [ -0.0002434800000000, 0.0006207500000000, 0.0000158600000000 ] - [ -0.0002437400000000, 0.0002341500000000, 0.0001149300000000 ] - [ -0.0003292300000000, 0.0002153400000000, -0.0000390300000000 ] - [ 0.0003233400000000, 0.0001314700000000, 0.0000632000000000 ] - [ 0.0002006900000000, 0.0002188900000000, 0.0001862400000000 ] - [ -0.0002035100000000, 0.0000952400000000, -0.0002567100000000 ] - [ 0.0005232100000000, -0.0001117400000000, 0.0005328400000000 ] - [ -0.0001701500000000, 0.0002509000000000, -0.0000743800000000 ] - [ 0.0000297100000000, -0.0002322900000000, -0.0001841000000000 ] - [ 0.0001602900000000, -0.0001622300000000, -0.0000086100000000 ] - [ -0.0001232500000000, 0.0000643700000000, -0.0002022300000000 ] - [ 0.0003947800000000, -0.0008752400000000, 0.0001799600000000 ] - [ -0.0003115200000000, 0.0002430400000000, -0.0000799600000000 ] - [ -0.0000974400000000, 0.0001913100000000, 0.0003987200000000 ] - [ -0.0005048100000000, 0.0001106800000000, -0.0002068600000000 ] - [ 0.0003845000000000, 0.0005273900000000, 0.0006034400000000 ] - [ 0.0090228700000000, 0.0024621400000000, 0.0012171900000000 ] - [ -0.0004682400000000, -0.0001350500000000, 0.0002120900000000 ] - [ -0.0001119800000000, -0.0003415300000000, 0.0000436500000000 ] - [ -0.0000844600000000, -0.0001175600000000, -0.0000871900000000 ] - [ -0.0000291300000000, -0.0001242500000000, -0.0002484100000000 ] - [ 0.0000201700000000, -0.0001034400000000, -0.0000578600000000 ] - [ -0.0003411400000000, -0.0001957300000000, -0.0001537200000000 ] - [ 0.0000072200000000, -0.0000265200000000, -0.0000613700000000 ] - [ 0.0076568100000000, -0.0017562400000000, 0.0038455900000000 ] - [ -0.0003481700000000, -0.0000810400000000, 0.0003203300000000 ] - [ 0.0000393300000000, -0.0001511700000000, 0.0003269100000000 ] - [ 0.0000742600000000, -0.0001767300000000, -0.0000922700000000 ] - [ -0.0001930300000000, 0.0001563000000000, -0.0002509700000000 ] - [ 0.0009544600000000, 0.0000348200000000, -0.0005883800000000 ] - [ -0.0006842900000000, -0.0001284400000000, -0.0000869800000000 ] - [ 0.0004153400000000, -0.0000981700000000, 0.0003259100000000 ] - [ 0.0002374200000000, -0.0000200300000000, 0.0001482300000000 ] - [ -0.0000821800000000, -0.0000053100000000, -0.0000562100000000 ] - [ 0.0005885900000000, 0.0001511400000000, 0.0000464000000000 ] - [ -0.0001538600000000, -0.0000489400000000, -0.0000403200000000 ] - [ 0.0008188000000000, 0.0000278900000000, -0.0000252600000000 ] - [ 0.0004816300000000, -0.0000957600000000, -0.0001872500000000 ] - [ 0.0011301700000000, 0.0007611600000000, 0.0002795800000000 ] - [ 0.0000717700000000, -0.0002800900000000, 0.0000284200000000 ] - [ -0.0006647400000000, -0.0003522400000000, -0.0000611200000000 ] - [ -0.0002775900000000, 0.0003860200000000, 0.0005043200000000 ] - [ -0.0006043500000000, -0.0000417000000000, -0.0000372200000000 ] - [ -0.0003755700000000, 0.0000342600000000, 0.0001260600000000 ] - [ -0.0000555700000000, 0.0000617200000000, -0.0002911200000000 ] - [ -0.0002955300000000, 0.0000977000000000, 0.0002045500000000 ] - [ -0.0005373900000000, -0.0005752600000000, 0.0005989300000000 ] - [ -0.0008232500000000, 0.0009895600000000, -0.0015993700000000 ] - [ 0.0004647100000000, -0.0006458500000000, -0.0003131700000000 ] - [ 0.0000671100000000, 0.0001097300000000, -0.0000527300000000 ] - [ 0.0002602600000000, 0.0001994200000000, -0.0000455100000000 ] - [ 0.0003219500000000, -0.0000597700000000, -0.0002962200000000 ] - [ 0.0002147600000000, -0.0001015900000000, 0.0000574400000000 ] - [ -0.0005534700000000, -0.0002368900000000, 0.0001344700000000 ] - [ -0.0000858400000000, -0.0001937300000000, 0.0001698000000000 ] - [ -0.0005024100000000, -0.0000740600000000, 0.0001131500000000 ] - [ 0.0012961800000000, -0.0011070100000000, 0.0014664200000000 ] - [ -0.0002836400000000, -0.0003527100000000, 0.0003428400000000 ] - [ -0.0018974700000000, 0.0000923400000000, -0.0003124400000000 ] - [ 0.0012859100000000, -0.0004112400000000, -0.0002250300000000 ] - [ 0.0002316600000000, 0.0002231500000000, 0.0000055300000000 ] - [ 0.0005981800000000, 0.0001169900000000, 0.0003043300000000 ] - [ -0.0002225400000000, 0.0001699900000000, 0.0001627400000000 ] - [ 0.0656626800000000, 0.0009283400000000, -0.0012546800000000 ] - [ 0.0005565000000000, 0.0001147900000000, -0.0002699900000000 ] - [ -0.0009188800000000, 0.0001392500000000, -0.0003438900000000 ] - [ -0.0003538000000000, 0.0002065800000000, -0.0002471600000000 ] - [ -0.0004891300000000, 0.0001194300000000, -0.0003695300000000 ] - [ 0.0001729800000000, 0.0001839300000000, 0.0003129000000000 ] - [ 0.0000244800000000, 0.0002183900000000, -0.0002751100000000 ] - [ 0.0004510800000000, 0.0001603700000000, -0.0000364500000000 ] - [ -0.0007324900000000, 0.0001497900000000, 0.0000784600000000 ] - [ -0.0021800500000000, -0.0013076600000000, -0.0035350600000000 ] - [ 0.0002937600000000, 0.0000982000000000, -0.0000439400000000 ] - [ -0.0000865600000000, 0.0002698400000000, -0.0002878800000000 ] - [ 0.0003569900000000, -0.0002701800000000, 0.0008105100000000 ] - [ -0.0006911700000000, -0.0002258700000000, 0.0000914100000000 ] - [ -0.0002324700000000, -0.0000859500000000, -0.0000079200000000 ] - [ -0.0001413300000000, -0.0005604300000000, -0.0001215400000000 ] - [ -0.0002726700000000, 0.0005505800000000, -0.0000262600000000 ] - [ 0.0020845100000000, 0.0003526200000000, 0.0019541400000000 ] - [ 0.0007182300000000, -0.0002394300000000, -0.0003319000000000 ] - [ 0.0007600900000000, -0.0001727700000000, -0.0001033000000000 ] - [ -0.0004596600000000, -0.0001852500000000, 0.0004974900000000 ] - [ 0.0011784200000000, -0.0009751500000000, 0.0011902500000000 ] - [ 0.0004074600000000, 0.0004879500000000, 0.0001344400000000 ] - [ 0.0002847000000000, 0.0001908700000000, 0.0003673900000000 ] - [ -0.0002087200000000, 0.0002960300000000, 0.0004006100000000 ] - [ -0.0001712000000000, 0.0002337400000000, -0.0003360200000000 ] - [ -0.0000768400000000, 0.0001483500000000, -0.0003341200000000 ] - [ 0.0010876100000000, 0.0022972400000000, -0.0011928600000000 ] - [ 0.0006017900000000, -0.0003031200000000, -0.0004593500000000 ] - [ -0.0025577400000000, 0.0041755400000000, -0.0029908300000000 ] - [ 0.0003355700000000, 0.0000589200000000, -0.0003272300000000 ] - [ -0.0001685600000000, -0.0000737500000000, -0.0005009500000000 ] - [ -0.0000930100000000, 0.0002851200000000, 0.0003526300000000 ] - [ 0.0001979000000000, -0.0000541800000000, 0.0004831600000000 ] - [ 0.0001018500000000, 0.0000812600000000, 0.0001116100000000 ] - [ 0.0006239700000000, 0.0000272700000000, 0.0003384100000000 ] - [ -0.0016396800000000, -0.0064156400000000, 0.0012069200000000 ]- atom: 5 displacement: [ -0.0099999730884809, 0.0000000000000000, 0.0000231997770880 ] forces: - [ 0.0010537200000000, -0.0005773500000000, -0.0003629700000000 ] - [ -0.0003861800000000, -0.0001043600000000, -0.0003865500000000 ] - [ -0.0034679500000000, 0.0045482400000000, 0.0065349900000000 ] - [ -0.0027382100000000, -0.0000280700000000, 0.0006270800000000 ] - [ 0.0918873800000000, -0.0026051900000000, -0.0019417100000000 ] - [ -0.0005834400000000, -0.0000792300000000, -0.0001022900000000 ] - [ 0.0001885500000000, 0.0000169900000000, 0.0000216000000000 ] - [ -0.0000715600000000, 0.0000978000000000, -0.0002983700000000 ] - [ -0.0001754200000000, -0.0000189300000000, 0.0001337400000000 ] - [ -0.0000323600000000, -0.0000048100000000, 0.0003228500000000 ] - [ -0.0004403900000000, 0.0001947200000000, -0.0000233100000000 ] - [ 0.0008878600000000, -0.0003809500000000, 0.0006380600000000 ] - [ 0.0003669600000000, -0.0001052500000000, 0.0000008300000000 ] - [ 0.0003449900000000, 0.0003688100000000, 0.0006927500000000 ] - [ 0.0001545600000000, -0.0000541600000000, -0.0000619900000000 ] - [ 0.0008939100000000, -0.0001215300000000, 0.0003603600000000 ] - [ -0.0004175100000000, -0.0012021800000000, 0.0000531100000000 ] - [ -0.0001875200000000, -0.0001957600000000, 0.0000278900000000 ] - [ 0.0002034500000000, -0.0001200500000000, 0.0002084100000000 ] - [ 0.0005005300000000, -0.0003230700000000, -0.0002315000000000 ] - [ -0.0007338100000000, -0.0001013300000000, -0.0006607300000000 ] - [ -0.0006124200000000, -0.0001451100000000, 0.0000264700000000 ] - [ -0.0036981800000000, 0.0003006800000000, 0.0036589600000000 ] - [ -0.0081769300000000, -0.0033177100000000, -0.0089229400000000 ] - [ 0.0004311000000000, -0.0000154800000000, -0.0000427900000000 ] - [ 0.0005053200000000, -0.0006064300000000, 0.0008558000000000 ] - [ -0.0008097300000000, -0.0000854100000000, -0.0000802800000000 ] - [ 0.0019917200000000, -0.0003826600000000, 0.0007991700000000 ] - [ 0.0003317200000000, -0.0000415500000000, -0.0001344900000000 ] - [ -0.0004575900000000, -0.0002242300000000, -0.0004057800000000 ] - [ -0.0004535500000000, -0.0001415700000000, -0.0005248000000000 ] - [ -0.0003507500000000, -0.0002377100000000, -0.0003020600000000 ] - [ -0.0000498000000000, 0.0000779000000000, -0.0001510000000000 ] - [ 0.0002376800000000, 0.0001301800000000, -0.0002650300000000 ] - [ 0.0000256400000000, 0.0001789300000000, -0.0000549200000000 ] - [ -0.0003028000000000, 0.0001415500000000, 0.0000732500000000 ] - [ -0.0010979500000000, 0.0006966700000000, 0.0007099300000000 ] - [ 0.0001341300000000, 0.0002510900000000, 0.0001311500000000 ] - [ -0.0009487900000000, -0.0008295700000000, -0.0012066500000000 ] - [ 0.0047264700000000, 0.0018223000000000, 0.0028430600000000 ] - [ -0.0000904200000000, 0.0003494800000000, 0.0000816400000000 ] - [ 0.0002606500000000, 0.0001988700000000, 0.0000159800000000 ] - [ -0.0005909000000000, -0.0000829500000000, -0.0014553400000000 ] - [ -0.0000366900000000, 0.0006259600000000, 0.0005584500000000 ] - [ 0.0000411000000000, -0.0001780000000000, -0.0000428100000000 ] - [ 0.0000506700000000, 0.0002145100000000, -0.0001393000000000 ] - [ 0.0001369200000000, 0.0002325700000000, 0.0000114700000000 ] - [ -0.0005156000000000, 0.0003172100000000, -0.0000899800000000 ] - [ -0.0000299000000000, 0.0001180100000000, -0.0002134300000000 ] - [ 0.0003675200000000, 0.0002416700000000, 0.0002278600000000 ] - [ -0.0003604000000000, 0.0004383900000000, -0.0005575500000000 ] - [ 0.0003383300000000, 0.0000871900000000, 0.0000475000000000 ] - [ 0.0002132300000000, -0.0001635700000000, 0.0000081300000000 ] - [ 0.0000817000000000, -0.0002345500000000, -0.0001656400000000 ] - [ 0.0003642400000000, -0.0004680400000000, 0.0000371200000000 ] - [ -0.0001518300000000, 0.0004723900000000, -0.0003504000000000 ] - [ 0.0001390900000000, 0.0000937700000000, 0.0001058300000000 ] - [ -0.0000729600000000, 0.0001474300000000, -0.0003714300000000 ] - [ 0.0003398800000000, 0.0002259400000000, 0.0002330400000000 ] - [ -0.0005598500000000, -0.0001969500000000, -0.0005865800000000 ] - [ -0.0092341300000000, -0.0028667600000000, -0.0010537200000000 ] - [ 0.0002245900000000, -0.0002608700000000, -0.0000399200000000 ] - [ -0.0001332800000000, -0.0000565900000000, 0.0001233700000000 ] - [ -0.0001605200000000, -0.0002784900000000, 0.0002575700000000 ] - [ 0.0000378500000000, -0.0000956400000000, -0.0000501400000000 ] - [ -0.0000120000000000, -0.0001169700000000, -0.0002391200000000 ] - [ 0.0003475500000000, -0.0000262400000000, -0.0001399700000000 ] - [ 0.0000004400000000, -0.0001942000000000, -0.0002342300000000 ] - [ -0.0075922800000000, 0.0015353100000000, -0.0035433900000000 ] - [ 0.0003377200000000, -0.0001398000000000, -0.0000245700000000 ] - [ -0.0000495100000000, -0.0000678100000000, -0.0000382800000000 ] - [ -0.0000847900000000, -0.0000421200000000, 0.0003858800000000 ] - [ 0.0001239900000000, -0.0002023300000000, 0.0002249700000000 ] - [ -0.0010328900000000, -0.0001021200000000, 0.0006131500000000 ] - [ 0.0006227100000000, 0.0000839200000000, 0.0000603100000000 ] - [ -0.0004881400000000, 0.0000547900000000, -0.0003569100000000 ] - [ -0.0001684100000000, -0.0000252200000000, -0.0001223000000000 ] - [ 0.0001472000000000, -0.0000393000000000, 0.0000817100000000 ] - [ -0.0005188800000000, -0.0001942300000000, -0.0000163000000000 ] - [ 0.0002212100000000, 0.0000042300000000, 0.0000665200000000 ] - [ 0.0001327800000000, -0.0001512700000000, -0.0001151200000000 ] - [ 0.0004677600000000, -0.0000316200000000, 0.0000503700000000 ] - [ -0.0001941800000000, -0.0008881700000000, -0.0003968300000000 ] - [ 0.0008810900000000, 0.0001549000000000, -0.0001641200000000 ] - [ -0.0002918600000000, 0.0002297700000000, 0.0002021200000000 ] - [ -0.0006798700000000, -0.0004960900000000, -0.0003597100000000 ] - [ -0.0003466100000000, -0.0000860100000000, 0.0001699700000000 ] - [ -0.0005766300000000, -0.0001633600000000, 0.0000079000000000 ] - [ -0.0003889100000000, 0.0001008800000000, 0.0005686700000000 ] - [ -0.0001511300000000, 0.0000636300000000, 0.0000803800000000 ] - [ 0.0000903000000000, 0.0007580800000000, -0.0003212100000000 ] - [ 0.0003680600000000, -0.0008285400000000, 0.0018795400000000 ] - [ -0.0000188700000000, 0.0007896400000000, 0.0000249400000000 ] - [ 0.0003756400000000, 0.0000525100000000, -0.0002304300000000 ] - [ 0.0001824100000000, -0.0000424700000000, -0.0002408200000000 ] - [ 0.0001215400000000, 0.0002218600000000, 0.0000120200000000 ] - [ -0.0007337900000000, -0.0002902500000000, 0.0002086700000000 ] - [ 0.0000249500000000, -0.0001559900000000, 0.0001323700000000 ] - [ -0.0004441100000000, -0.0001971600000000, 0.0000974300000000 ] - [ -0.0000228700000000, -0.0003175700000000, 0.0001541200000000 ] - [ -0.0007950000000000, 0.0007124500000000, -0.0017224000000000 ] - [ 0.0008046200000000, -0.0000446100000000, -0.0006054400000000 ] - [ 0.0024639800000000, -0.0004941800000000, 0.0000298900000000 ] - [ -0.0007720000000000, 0.0000178700000000, -0.0000474100000000 ] - [ 0.0005750700000000, 0.0001084900000000, 0.0005697400000000 ] - [ 0.0002122500000000, 0.0002147800000000, 0.0002729300000000 ] - [ 0.0010378600000000, 0.0001653800000000, 0.0004213200000000 ] - [ -0.0614279900000000, -0.0003958700000000, 0.0020138400000000 ] - [ -0.0013610800000000, 0.0002156800000000, -0.0003073900000000 ] - [ 0.0001090800000000, 0.0001920500000000, -0.0002328800000000 ] - [ -0.0004562900000000, 0.0001248700000000, -0.0003327000000000 ] - [ -0.0003217700000000, 0.0002127000000000, -0.0002109600000000 ] - [ -0.0001271500000000, 0.0000439100000000, -0.0002820400000000 ] - [ 0.0000160000000000, 0.0000109300000000, 0.0002979300000000 ] - [ -0.0004099700000000, 0.0000735100000000, 0.0000571400000000 ] - [ 0.0007760400000000, 0.0000830100000000, -0.0000568700000000 ] - [ 0.0020947500000000, 0.0015205000000000, 0.0034810100000000 ] - [ -0.0003371000000000, 0.0001297900000000, 0.0000162900000000 ] - [ 0.0000448800000000, -0.0000456300000000, 0.0002701800000000 ] - [ -0.0004022200000000, 0.0005005900000000, -0.0008322600000000 ] - [ -0.0000696300000000, -0.0000024000000000, -0.0001165200000000 ] - [ -0.0005220900000000, -0.0001415600000000, -0.0000208900000000 ] - [ -0.0006143400000000, 0.0003425400000000, 0.0000860300000000 ] - [ -0.0004835700000000, -0.0007783600000000, -0.0000031900000000 ] - [ -0.0012933600000000, -0.0005818800000000, -0.0019247400000000 ] - [ 0.0000376600000000, 0.0000104000000000, 0.0003598000000000 ] - [ -0.0000081700000000, -0.0000577200000000, 0.0001395000000000 ] - [ 0.0012139900000000, -0.0000433200000000, -0.0004659600000000 ] - [ -0.0009717300000000, 0.0013775300000000, -0.0004575000000000 ] - [ -0.0002264800000000, -0.0000918100000000, 0.0006260700000000 ] - [ -0.0001048300000000, 0.0002060500000000, 0.0004027900000000 ] - [ 0.0003923900000000, 0.0000984800000000, 0.0003641900000000 ] - [ -0.0000132700000000, 0.0001627900000000, -0.0004215400000000 ] - [ -0.0001048300000000, 0.0002474700000000, -0.0004243700000000 ] - [ -0.0012532400000000, -0.0019331100000000, 0.0004186200000000 ] - [ -0.0007849600000000, 0.0006987400000000, -0.0003020200000000 ] - [ 0.0022770200000000, -0.0041174400000000, 0.0024249900000000 ] - [ -0.0005737800000000, -0.0000166700000000, -0.0002226800000000 ] - [ -0.0000701600000000, 0.0001155300000000, -0.0000379700000000 ] - [ -0.0001463300000000, -0.0002442000000000, -0.0008984300000000 ] - [ 0.0000391600000000, 0.0000945600000000, 0.0000668400000000 ] - [ 0.0001331900000000, -0.0000401300000000, 0.0004355700000000 ] - [ -0.0003903400000000, 0.0000095900000000, 0.0002049000000000 ] - [ 0.0018319800000000, 0.0064307800000000, -0.0006622000000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000673000000000, -0.0004321400000000, -0.0003662300000000 ] - [ -0.0003861500000000, -0.0001941200000000, -0.0003938300000000 ] - [ -0.0019990700000000, -0.0011319200000000, 0.0024733500000000 ] - [ -0.0005397700000000, 0.0000835700000000, 0.0002983000000000 ] - [ 0.0029116900000000, -0.0918150300000000, 0.0012850700000000 ] - [ 0.0001627800000000, -0.0000206100000000, -0.0002554900000000 ] - [ 0.0000689500000000, 0.0000325300000000, -0.0002019500000000 ] - [ -0.0000126700000000, -0.0000712600000000, -0.0001568100000000 ] - [ -0.0001040900000000, 0.0000667400000000, 0.0001670800000000 ] - [ -0.0000916300000000, 0.0000414600000000, 0.0001538800000000 ] - [ 0.0001059900000000, 0.0002500800000000, 0.0001895700000000 ] - [ -0.0004660900000000, 0.0000470100000000, 0.0003681700000000 ] - [ 0.0011072500000000, 0.0002216100000000, 0.0003194700000000 ] - [ 0.0004348100000000, -0.0001236300000000, 0.0001766900000000 ] - [ 0.0004283600000000, -0.0001129200000000, 0.0001524800000000 ] - [ 0.0003198400000000, 0.0000050700000000, 0.0000002900000000 ] - [ -0.0003338800000000, 0.0037599000000000, 0.0019357200000000 ] - [ 0.0005069600000000, -0.0001883700000000, 0.0001012900000000 ] - [ 0.0004824700000000, -0.0001125300000000, -0.0000541200000000 ] - [ 0.0002285500000000, -0.0001747200000000, 0.0000821200000000 ] - [ -0.0004061800000000, -0.0003136800000000, -0.0005358300000000 ] - [ -0.0004101900000000, -0.0002687700000000, -0.0000808400000000 ] - [ -0.0005586100000000, 0.0001548600000000, 0.0010163800000000 ] - [ -0.0000098400000000, 0.0010247300000000, 0.0002339300000000 ] - [ -0.0002180200000000, -0.0004012700000000, 0.0008366600000000 ] - [ 0.0004322400000000, -0.0005641800000000, 0.0002976100000000 ] - [ 0.0000889500000000, -0.0002615700000000, 0.0002195000000000 ] - [ 0.0003711600000000, -0.0002683600000000, 0.0008681900000000 ] - [ -0.0007178500000000, -0.0001661600000000, -0.0004504600000000 ] - [ -0.0000393500000000, -0.0001477300000000, -0.0002154900000000 ] - [ -0.0001032600000000, 0.0000648500000000, -0.0008171100000000 ] - [ -0.0001989500000000, -0.0001493300000000, -0.0003439800000000 ] - [ -0.0004919200000000, -0.0007242600000000, -0.0004239800000000 ] - [ -0.0001936700000000, 0.0001344800000000, -0.0000456300000000 ] - [ -0.0001247500000000, 0.0001883700000000, -0.0000753400000000 ] - [ -0.0000852700000000, 0.0001091200000000, 0.0000171500000000 ] - [ -0.0000144400000000, 0.0006614900000000, -0.0002001000000000 ] - [ 0.0000434300000000, 0.0002441800000000, 0.0001783700000000 ] - [ -0.0011335000000000, 0.0007848600000000, 0.0010516100000000 ] - [ 0.0006721600000000, 0.0003413300000000, 0.0003002100000000 ] - [ 0.0000557400000000, 0.0003696200000000, 0.0001443700000000 ] - [ 0.0002264200000000, 0.0002728800000000, 0.0000737600000000 ] - [ 0.0001633800000000, 0.0007189800000000, -0.0000662900000000 ] - [ -0.0001674500000000, 0.0001558300000000, -0.0002436100000000 ] - [ -0.0005191800000000, -0.0008167100000000, -0.0004344400000000 ] - [ -0.0001796000000000, 0.0002144900000000, -0.0000744400000000 ] - [ -0.0001664800000000, 0.0001881900000000, 0.0000152400000000 ] - [ -0.0000478500000000, 0.0002253900000000, 0.0000158700000000 ] - [ 0.0002939500000000, 0.0000834300000000, -0.0000856500000000 ] - [ -0.0000233900000000, 0.0001211800000000, -0.0001254300000000 ] - [ -0.0000075600000000, 0.0003915600000000, 0.0014620700000000 ] - [ 0.0000578400000000, 0.0001835500000000, -0.0000034000000000 ] - [ 0.0001468200000000, -0.0002515300000000, -0.0000748300000000 ] - [ 0.0001245500000000, -0.0002383100000000, -0.0000764800000000 ] - [ 0.0002438000000000, -0.0003926600000000, -0.0000915700000000 ] - [ 0.0000100600000000, -0.0004194100000000, -0.0002177100000000 ] - [ 0.0001463000000000, -0.0000134000000000, 0.0000396400000000 ] - [ -0.0002579900000000, 0.0000662800000000, 0.0003144900000000 ] - [ -0.0000417500000000, 0.0001270100000000, 0.0000054900000000 ] - [ -0.0001116300000000, 0.0000293300000000, -0.0000940400000000 ] - [ 0.0035361700000000, 0.0550113500000000, 0.0221841400000000 ] - [ -0.0001635200000000, -0.0001721500000000, 0.0000748400000000 ] - [ -0.0001438200000000, -0.0001274500000000, 0.0001532600000000 ] - [ -0.0000893800000000, -0.0001610400000000, 0.0000882800000000 ] - [ 0.0000577800000000, -0.0001227600000000, -0.0001499600000000 ] - [ 0.0000112200000000, -0.0001265100000000, -0.0000868700000000 ] - [ -0.0002868500000000, -0.0005045100000000, -0.0000402900000000 ] - [ 0.0003846100000000, -0.0004744800000000, -0.0001357700000000 ] - [ -0.0028541300000000, 0.0219123600000000, -0.0252376800000000 ] - [ -0.0000388300000000, -0.0000942900000000, 0.0001505300000000 ] - [ -0.0000702600000000, -0.0002141000000000, 0.0003432800000000 ] - [ 0.0000731300000000, -0.0000956800000000, 0.0001674800000000 ] - [ -0.0000112100000000, 0.0002006000000000, -0.0000304700000000 ] - [ 0.0000777100000000, 0.0011265700000000, -0.0006461400000000 ] - [ 0.0000476600000000, -0.0000214600000000, 0.0000454600000000 ] - [ -0.0001399000000000, 0.0001833900000000, -0.0001781300000000 ] - [ 0.0001531000000000, -0.0001251000000000, -0.0000199900000000 ] - [ -0.0000579600000000, -0.0000580600000000, -0.0000793200000000 ] - [ 0.0001023900000000, -0.0006677600000000, 0.0005845900000000 ] - [ 0.0000327400000000, -0.0000213500000000, 0.0000136500000000 ] - [ 0.0003344800000000, -0.0001143000000000, 0.0000515400000000 ] - [ 0.0004996300000000, -0.0000550500000000, -0.0000512700000000 ] - [ 0.0016380900000000, 0.0008254800000000, -0.0019126500000000 ] - [ 0.0004563400000000, -0.0000822600000000, -0.0001256900000000 ] - [ -0.0012860300000000, -0.0002049400000000, -0.0001982200000000 ] - [ -0.0000698200000000, 0.0002399900000000, 0.0000705700000000 ] - [ -0.0004967200000000, -0.0000283300000000, 0.0000800300000000 ] - [ -0.0004519800000000, -0.0001296000000000, 0.0001356300000000 ] - [ -0.0001266700000000, 0.0005066700000000, 0.0005257400000000 ] - [ -0.0002196300000000, 0.0001144300000000, 0.0001439200000000 ] - [ -0.0004289400000000, 0.0005125300000000, 0.0001671000000000 ] - [ -0.0002676100000000, 0.0002121800000000, -0.0003893300000000 ] - [ 0.0003294100000000, -0.0008824800000000, -0.0004955600000000 ] - [ 0.0001977900000000, 0.0000713200000000, -0.0001518900000000 ] - [ 0.0002625600000000, 0.0000446900000000, -0.0001606400000000 ] - [ 0.0002166400000000, 0.0000446200000000, -0.0001534600000000 ] - [ 0.0001916100000000, -0.0002035500000000, -0.0000976400000000 ] - [ -0.0004227500000000, -0.0002181900000000, 0.0000726800000000 ] - [ -0.0004120900000000, -0.0003729200000000, 0.0004530500000000 ] - [ -0.0002730600000000, -0.0001839000000000, 0.0001589000000000 ] - [ 0.0006347000000000, -0.0002593800000000, -0.0003630500000000 ] - [ 0.0002393900000000, -0.0001953000000000, -0.0001260800000000 ] - [ 0.0005912300000000, -0.0002156500000000, -0.0002276600000000 ] - [ 0.0001119400000000, -0.0001939600000000, -0.0003632500000000 ] - [ 0.0004864600000000, 0.0002444400000000, 0.0002894600000000 ] - [ 0.0004762100000000, 0.0002328000000000, 0.0002909000000000 ] - [ 0.0002988900000000, 0.0002199700000000, 0.0003209100000000 ] - [ 0.0004635700000000, 0.0081079000000000, 0.0015533500000000 ] - [ -0.0000915700000000, -0.0006097200000000, -0.0003806100000000 ] - [ -0.0006126500000000, 0.0000844600000000, -0.0002688400000000 ] - [ -0.0004044100000000, 0.0001167500000000, -0.0002967500000000 ] - [ -0.0003704700000000, 0.0001288600000000, -0.0003130300000000 ] - [ 0.0001143900000000, 0.0004861800000000, 0.0000860400000000 ] - [ 0.0000846300000000, 0.0001902400000000, -0.0000694200000000 ] - [ 0.0000911000000000, 0.0002176800000000, -0.0000470000000000 ] - [ 0.0003147900000000, 0.0006091500000000, 0.0000924600000000 ] - [ -0.0014744300000000, -0.0029365400000000, 0.0018422500000000 ] - [ 0.0000850700000000, -0.0000885400000000, 0.0000403400000000 ] - [ 0.0001842000000000, -0.0000176700000000, -0.0001894600000000 ] - [ 0.0000219400000000, 0.0001264300000000, -0.0000351300000000 ] - [ -0.0005037400000000, 0.0000998400000000, 0.0000016300000000 ] - [ -0.0003969700000000, 0.0000021400000000, -0.0000542300000000 ] - [ -0.0009374500000000, 0.0005835800000000, 0.0003721700000000 ] - [ -0.0004255100000000, -0.0001119600000000, -0.0000023400000000 ] - [ 0.0012946100000000, -0.0033467800000000, 0.0022480300000000 ] - [ 0.0004170600000000, -0.0001216100000000, -0.0000147600000000 ] - [ 0.0003804900000000, -0.0001436500000000, -0.0000139900000000 ] - [ 0.0001260200000000, -0.0002924500000000, -0.0000820600000000 ] - [ -0.0015254800000000, 0.0020461000000000, -0.0001053700000000 ] - [ 0.0001298500000000, 0.0001864700000000, 0.0004370000000000 ] - [ 0.0000862300000000, 0.0002430400000000, 0.0003678500000000 ] - [ 0.0001153800000000, 0.0002686500000000, 0.0004335100000000 ] - [ -0.0000301800000000, 0.0000411400000000, -0.0002933900000000 ] - [ -0.0000493000000000, 0.0001392100000000, -0.0003353800000000 ] - [ 0.0033725000000000, 0.0011097000000000, -0.0037491600000000 ] - [ -0.0000256800000000, 0.0001019500000000, -0.0003289800000000 ] - [ 0.0025680600000000, 0.0033245400000000, -0.0014654200000000 ] - [ -0.0001402800000000, 0.0000838300000000, -0.0002146800000000 ] - [ -0.0001571200000000, 0.0000459800000000, -0.0003569900000000 ] - [ -0.0001093400000000, 0.0000664100000000, -0.0003267500000000 ] - [ 0.0000235800000000, -0.0001224800000000, 0.0003518400000000 ] - [ 0.0001116300000000, -0.0000221700000000, 0.0002886800000000 ] - [ 0.0002871200000000, -0.0000587000000000, 0.0001552300000000 ] - [ -0.0057534600000000, 0.0024957600000000, -0.0030605000000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007174800000000, 0.0002450100000000, 0.0000749700000000 ] - [ -0.0004039200000000, 0.0000070300000000, 0.0000978500000000 ] - [ 0.0011416000000000, 0.0009424300000000, -0.0026605600000000 ] - [ -0.0002626200000000, -0.0002761300000000, -0.0005997100000000 ] - [ -0.0021561800000000, 0.0937577400000000, -0.0000074700000000 ] - [ -0.0000080500000000, 0.0000365100000000, -0.0001126800000000 ] - [ 0.0000929500000000, -0.0000173600000000, -0.0001677300000000 ] - [ 0.0001712900000000, 0.0000869200000000, -0.0002130400000000 ] - [ -0.0000540800000000, -0.0000529800000000, 0.0002008900000000 ] - [ -0.0000690800000000, -0.0000286600000000, 0.0002175000000000 ] - [ -0.0002667300000000, -0.0002355800000000, 0.0001784200000000 ] - [ 0.0003081300000000, -0.0000358400000000, 0.0000029400000000 ] - [ -0.0003139800000000, -0.0004154800000000, -0.0000232400000000 ] - [ 0.0003535200000000, -0.0000694000000000, 0.0001196500000000 ] - [ 0.0003553600000000, -0.0000776000000000, 0.0001463100000000 ] - [ 0.0004672200000000, -0.0001939900000000, 0.0002963400000000 ] - [ 0.0009952600000000, -0.0041722400000000, -0.0017836000000000 ] - [ 0.0001420000000000, -0.0002430900000000, 0.0000402200000000 ] - [ 0.0001650100000000, -0.0003190600000000, 0.0001962900000000 ] - [ 0.0004239900000000, -0.0002549300000000, 0.0000622400000000 ] - [ -0.0002419000000000, -0.0001188400000000, 0.0003916400000000 ] - [ -0.0002431700000000, -0.0001634900000000, -0.0000612100000000 ] - [ -0.0001077600000000, -0.0005944500000000, -0.0011837400000000 ] - [ -0.0006748600000000, -0.0014808600000000, -0.0004394100000000 ] - [ 0.0006278200000000, 0.0001040300000000, -0.0001890100000000 ] - [ -0.0000232600000000, 0.0002645100000000, 0.0003562100000000 ] - [ 0.0003207300000000, -0.0000378100000000, 0.0004375300000000 ] - [ 0.0000458200000000, -0.0000299800000000, -0.0002026400000000 ] - [ 0.0003086900000000, -0.0001354400000000, -0.0002079800000000 ] - [ -0.0003719300000000, -0.0001560500000000, -0.0004438000000000 ] - [ -0.0003075500000000, -0.0003603000000000, 0.0001769800000000 ] - [ -0.0002107800000000, -0.0001520900000000, -0.0003153800000000 ] - [ 0.0002591700000000, 0.0011092600000000, 0.0002672200000000 ] - [ -0.0000360300000000, 0.0002451800000000, -0.0001130800000000 ] - [ -0.0001034000000000, 0.0001915500000000, -0.0000847100000000 ] - [ -0.0001472200000000, 0.0002709500000000, -0.0001770100000000 ] - [ 0.0002450500000000, -0.0002866200000000, 0.0003659200000000 ] - [ 0.0001867700000000, 0.0001347100000000, -0.0000209000000000 ] - [ 0.0014201800000000, -0.0004129800000000, -0.0009133300000000 ] - [ -0.0004259500000000, 0.0000447400000000, -0.0001279100000000 ] - [ 0.0001301800000000, 0.0000788200000000, -0.0001224000000000 ] - [ -0.0000379500000000, 0.0001758800000000, -0.0000508800000000 ] - [ 0.0000069800000000, -0.0002745800000000, 0.0000843700000000 ] - [ 0.0003584700000000, 0.0003000100000000, 0.0002769400000000 ] - [ 0.0003224500000000, 0.0012614400000000, 0.0004131800000000 ] - [ -0.0000107600000000, 0.0002360500000000, 0.0000523300000000 ] - [ -0.0000212900000000, 0.0002610900000000, -0.0000387400000000 ] - [ -0.0001416700000000, 0.0002243500000000, -0.0000381100000000 ] - [ -0.0001262700000000, 0.0002583700000000, 0.0000599300000000 ] - [ 0.0001988600000000, 0.0002220000000000, 0.0001024100000000 ] - [ 0.0001763300000000, -0.0000739600000000, -0.0014929000000000 ] - [ 0.0001133200000000, 0.0001559800000000, -0.0000236700000000 ] - [ 0.0000986800000000, -0.0001410900000000, -0.0000962500000000 ] - [ 0.0001203900000000, -0.0001545600000000, -0.0000956700000000 ] - [ 0.0000042300000000, -0.0000013600000000, -0.0000777600000000 ] - [ 0.0002311800000000, 0.0000268900000000, 0.0000462900000000 ] - [ -0.0003165600000000, 0.0003529700000000, -0.0000107100000000 ] - [ 0.0000854200000000, 0.0002743200000000, -0.0002877000000000 ] - [ -0.0001284300000000, 0.0002150300000000, 0.0000241600000000 ] - [ -0.0000617800000000, 0.0003103700000000, 0.0001182400000000 ] - [ -0.0041472100000000, -0.0578399800000000, -0.0231407000000000 ] - [ -0.0000805900000000, -0.0002209400000000, 0.0000959500000000 ] - [ -0.0001025500000000, -0.0002668400000000, 0.0000171700000000 ] - [ -0.0001569800000000, -0.0002323100000000, 0.0000834200000000 ] - [ -0.0000487500000000, -0.0000922700000000, -0.0001429000000000 ] - [ -0.0000024900000000, -0.0000897000000000, -0.0002072600000000 ] - [ 0.0002995900000000, 0.0002899700000000, -0.0002521700000000 ] - [ -0.0003792400000000, 0.0002603500000000, -0.0001575300000000 ] - [ 0.0027349300000000, -0.0219319400000000, 0.0249371600000000 ] - [ 0.0000302700000000, -0.0001225600000000, 0.0001425600000000 ] - [ 0.0000579700000000, 0.0000012400000000, -0.0000548500000000 ] - [ -0.0000832800000000, -0.0001205700000000, 0.0001276300000000 ] - [ -0.0000493400000000, -0.0002482300000000, 0.0000077500000000 ] - [ -0.0001603500000000, -0.0011771900000000, 0.0006399000000000 ] - [ -0.0001101300000000, -0.0000224000000000, -0.0000689000000000 ] - [ 0.0000701200000000, -0.0002264800000000, 0.0001479500000000 ] - [ -0.0000863900000000, 0.0000821700000000, 0.0000451500000000 ] - [ 0.0001253000000000, 0.0000150400000000, 0.0001057300000000 ] - [ -0.0000358200000000, 0.0006276900000000, -0.0005695100000000 ] - [ 0.0000352300000000, -0.0000225900000000, 0.0000115100000000 ] - [ 0.0006159000000000, -0.0000052700000000, -0.0001937700000000 ] - [ 0.0004500200000000, -0.0000671900000000, -0.0000855200000000 ] - [ -0.0006693900000000, -0.0009165800000000, 0.0017552100000000 ] - [ 0.0004953900000000, -0.0000374600000000, -0.0000125800000000 ] - [ 0.0003439300000000, 0.0000904700000000, 0.0003379100000000 ] - [ -0.0008887200000000, -0.0003550200000000, 0.0000702100000000 ] - [ -0.0004533200000000, -0.0000925400000000, 0.0000583200000000 ] - [ -0.0004989000000000, 0.0000069000000000, 0.0000008200000000 ] - [ -0.0003221100000000, -0.0003477900000000, -0.0002324800000000 ] - [ -0.0002264700000000, 0.0000453800000000, 0.0001426100000000 ] - [ -0.0000120900000000, -0.0003518900000000, 0.0001159000000000 ] - [ -0.0001802700000000, -0.0000574700000000, 0.0006798500000000 ] - [ 0.0001141100000000, 0.0010277900000000, 0.0002081500000000 ] - [ 0.0002482800000000, 0.0000898300000000, -0.0001325100000000 ] - [ 0.0001840800000000, 0.0001142300000000, -0.0001262900000000 ] - [ 0.0002279900000000, 0.0001163400000000, -0.0001313300000000 ] - [ -0.0007217100000000, -0.0001857700000000, 0.0003669100000000 ] - [ -0.0001046900000000, -0.0001734500000000, 0.0001937000000000 ] - [ -0.0001161700000000, -0.0000206000000000, -0.0001895900000000 ] - [ -0.0002555600000000, -0.0002085300000000, 0.0001078900000000 ] - [ -0.0001202900000000, -0.0001406400000000, 0.0001063100000000 ] - [ 0.0002926300000000, -0.0001980500000000, -0.0001418300000000 ] - [ -0.0000580400000000, -0.0001763000000000, -0.0000338500000000 ] - [ 0.0004074200000000, -0.0001954600000000, 0.0000959000000000 ] - [ 0.0003255700000000, 0.0000893900000000, 0.0002890200000000 ] - [ 0.0003383000000000, 0.0001015000000000, 0.0002886900000000 ] - [ 0.0005203300000000, 0.0001140300000000, 0.0002570200000000 ] - [ 0.0002900700000000, -0.0077920100000000, -0.0009879800000000 ] - [ -0.0007248400000000, 0.0009448700000000, -0.0001964400000000 ] - [ -0.0001989900000000, 0.0002494500000000, -0.0003078800000000 ] - [ -0.0004094300000000, 0.0002167600000000, -0.0002805900000000 ] - [ -0.0004443900000000, 0.0002059500000000, -0.0002646700000000 ] - [ -0.0000675100000000, -0.0002521900000000, -0.0000599600000000 ] - [ -0.0000415000000000, 0.0000430800000000, 0.0000928400000000 ] - [ -0.0000507300000000, 0.0000168600000000, 0.0000713200000000 ] - [ -0.0002601100000000, -0.0003695200000000, -0.0000653000000000 ] - [ 0.0014450700000000, 0.0031920500000000, -0.0018598900000000 ] - [ -0.0001324200000000, 0.0003251900000000, -0.0000642100000000 ] - [ -0.0002289500000000, 0.0002501500000000, 0.0001710000000000 ] - [ -0.0000678500000000, 0.0001118800000000, 0.0000105700000000 ] - [ -0.0002555900000000, -0.0003270600000000, -0.0000318900000000 ] - [ -0.0003615900000000, -0.0002281900000000, 0.0000208200000000 ] - [ 0.0001668300000000, -0.0007948500000000, -0.0003961700000000 ] - [ -0.0003315000000000, -0.0001160600000000, -0.0000298800000000 ] - [ -0.0005549500000000, 0.0031341400000000, -0.0022219200000000 ] - [ 0.0003405100000000, -0.0001020600000000, 0.0000481600000000 ] - [ 0.0003741200000000, -0.0000799800000000, 0.0000486000000000 ] - [ 0.0006352100000000, 0.0000665200000000, 0.0001144900000000 ] - [ 0.0017067300000000, -0.0016480600000000, 0.0008399300000000 ] - [ 0.0000536900000000, 0.0002078000000000, 0.0003237900000000 ] - [ 0.0000970800000000, 0.0001517800000000, 0.0003921100000000 ] - [ 0.0000717500000000, 0.0001268500000000, 0.0003285500000000 ] - [ -0.0001552000000000, 0.0003549000000000, -0.0004675100000000 ] - [ -0.0001367000000000, 0.0002572200000000, -0.0004258400000000 ] - [ -0.0035644400000000, -0.0007125900000000, 0.0030017600000000 ] - [ -0.0001618300000000, 0.0002971000000000, -0.0004308400000000 ] - [ -0.0027862000000000, -0.0032676600000000, 0.0008830000000000 ] - [ -0.0001038200000000, -0.0000431500000000, -0.0003396100000000 ] - [ -0.0000855500000000, -0.0000050200000000, -0.0001923500000000 ] - [ -0.0001320400000000, -0.0000280100000000, -0.0002293500000000 ] - [ 0.0002169800000000, 0.0001629000000000, 0.0002008700000000 ] - [ 0.0001297200000000, 0.0000623400000000, 0.0002657500000000 ] - [ -0.0000491800000000, 0.0000987100000000, 0.0003994400000000 ] - [ 0.0060445500000000, -0.0024657400000000, 0.0036525500000000 ]- atom: 5 displacement: [ -0.0045549923526468, 0.0000000000000000, 0.0089023617466001 ] forces: - [ -0.0003173000000000, -0.0007863900000000, -0.0008091300000000 ] - [ -0.0002764000000000, -0.0000250600000000, -0.0000365900000000 ] - [ -0.0058591500000000, 0.0068621500000000, 0.0105996000000000 ] - [ -0.0020463700000000, 0.0002819900000000, 0.0008911000000000 ] - [ 0.0439129500000000, -0.0009269100000000, -0.0886026200000000 ] - [ -0.0002954900000000, -0.0000960400000000, -0.0001427400000000 ] - [ -0.0000467800000000, -0.0000024500000000, -0.0000822900000000 ] - [ 0.0001136900000000, 0.0000725200000000, -0.0001805800000000 ] - [ -0.0000779000000000, 0.0000103700000000, 0.0002314000000000 ] - [ -0.0001831200000000, 0.0000312100000000, 0.0003251700000000 ] - [ -0.0000645100000000, 0.0000892200000000, -0.0000282300000000 ] - [ -0.0000418800000000, -0.0003311700000000, 0.0005788300000000 ] - [ 0.0007074700000000, -0.0000918800000000, 0.0003653900000000 ] - [ 0.0003237800000000, 0.0002162700000000, 0.0003895600000000 ] - [ 0.0002157000000000, -0.0000133200000000, 0.0000668200000000 ] - [ 0.0009987200000000, -0.0001144200000000, 0.0006254700000000 ] - [ -0.0005039700000000, -0.0006377500000000, 0.0006492500000000 ] - [ 0.0002404100000000, -0.0001891300000000, 0.0000588700000000 ] - [ 0.0000351900000000, -0.0001975700000000, 0.0002463300000000 ] - [ 0.0006858300000000, -0.0003093100000000, -0.0001667600000000 ] - [ -0.0007861500000000, -0.0003059600000000, 0.0002571000000000 ] - [ -0.0001490600000000, -0.0004002000000000, -0.0002145800000000 ] - [ -0.0013215900000000, -0.0001999700000000, 0.0027995500000000 ] - [ -0.0050568300000000, -0.0018579600000000, -0.0053875700000000 ] - [ 0.0008288300000000, -0.0000321700000000, 0.0003858100000000 ] - [ 0.0000370000000000, 0.0001778400000000, 0.0003910000000000 ] - [ -0.0004867000000000, -0.0001781900000000, -0.0002483200000000 ] - [ 0.0013092400000000, -0.0003188400000000, 0.0008670200000000 ] - [ -0.0002777000000000, 0.0000238000000000, -0.0002412400000000 ] - [ -0.0002346000000000, 0.0000161400000000, -0.0003714000000000 ] - [ -0.0008509200000000, -0.0014180600000000, -0.0006769800000000 ] - [ -0.0002666600000000, -0.0002221000000000, -0.0003111500000000 ] - [ -0.0001095800000000, 0.0002345000000000, 0.0000182000000000 ] - [ -0.0000253900000000, 0.0001539500000000, -0.0001322800000000 ] - [ -0.0000057000000000, 0.0001868800000000, -0.0000692400000000 ] - [ -0.0002496500000000, 0.0002063700000000, -0.0000401900000000 ] - [ -0.0009819500000000, 0.0003029800000000, 0.0008862000000000 ] - [ 0.0001920200000000, 0.0001770900000000, 0.0000625900000000 ] - [ -0.0024572400000000, 0.0003671500000000, 0.0012609100000000 ] - [ 0.0034508700000000, 0.0012281900000000, 0.0020922500000000 ] - [ 0.0007124200000000, 0.0003769100000000, -0.0000173100000000 ] - [ -0.0002664800000000, 0.0002364100000000, -0.0000354600000000 ] - [ -0.0000335000000000, 0.0001355500000000, -0.0020111800000000 ] - [ -0.0002642200000000, 0.0002224700000000, -0.0000204300000000 ] - [ -0.0003388000000000, -0.0003847800000000, -0.0002226900000000 ] - [ -0.0001041900000000, 0.0002198000000000, -0.0001262500000000 ] - [ 0.0001338400000000, 0.0002393900000000, -0.0000574400000000 ] - [ -0.0007146300000000, 0.0003587400000000, -0.0002514200000000 ] - [ 0.0003461100000000, 0.0000984200000000, -0.0003517000000000 ] - [ -0.0001610800000000, 0.0000796100000000, -0.0002286000000000 ] - [ 0.0003803300000000, 0.0016423300000000, -0.0011584300000000 ] - [ 0.0002107700000000, 0.0001305300000000, 0.0000163300000000 ] - [ 0.0001883900000000, -0.0001677000000000, -0.0001137500000000 ] - [ 0.0001013100000000, -0.0002508200000000, -0.0001703600000000 ] - [ -0.0000135600000000, -0.0003090300000000, 0.0003522700000000 ] - [ 0.0003019300000000, 0.0001021400000000, 0.0000223800000000 ] - [ -0.0002306700000000, 0.0000978600000000, -0.0002174800000000 ] - [ 0.0001268800000000, 0.0000007700000000, -0.0002323600000000 ] - [ 0.0001929600000000, 0.0001489400000000, 0.0001709300000000 ] - [ -0.0003988900000000, -0.0001075600000000, -0.0004559100000000 ] - [ -0.0024995700000000, 0.0165033000000000, 0.0161113200000000 ] - [ 0.0000219300000000, -0.0002286100000000, 0.0000005400000000 ] - [ -0.0000689400000000, -0.0001327200000000, 0.0000358500000000 ] - [ -0.0001977300000000, -0.0001741100000000, 0.0001257000000000 ] - [ 0.0000370500000000, -0.0001212700000000, -0.0002110300000000 ] - [ 0.0000035300000000, -0.0001166800000000, -0.0002375300000000 ] - [ 0.0001102000000000, -0.0001286600000000, -0.0000488200000000 ] - [ 0.0000474400000000, -0.0002329100000000, -0.0002302100000000 ] - [ 0.0005015400000000, -0.0192007000000000, 0.0504148400000000 ] - [ 0.0001843100000000, -0.0001383300000000, 0.0000657700000000 ] - [ 0.0000746300000000, -0.0000739300000000, 0.0000735900000000 ] - [ -0.0000985800000000, -0.0000874300000000, 0.0002847200000000 ] - [ -0.0005646200000000, -0.0001216900000000, 0.0002654700000000 ] - [ 0.0009353200000000, -0.0005060800000000, 0.0008627500000000 ] - [ 0.0004470400000000, 0.0000596300000000, 0.0000324500000000 ] - [ -0.0003673000000000, -0.0001724000000000, -0.0002237200000000 ] - [ 0.0000265100000000, -0.0000977500000000, -0.0000471200000000 ] - [ 0.0000212100000000, -0.0000918800000000, -0.0000866000000000 ] - [ -0.0001327800000000, -0.0000933000000000, 0.0004924200000000 ] - [ 0.0001462300000000, 0.0000044500000000, 0.0000214400000000 ] - [ 0.0005001400000000, -0.0001864200000000, 0.0001093800000000 ] - [ 0.0003876900000000, -0.0000703700000000, -0.0000681600000000 ] - [ 0.0010887200000000, -0.0010531400000000, 0.0000596000000000 ] - [ 0.0006948900000000, 0.0000184200000000, -0.0001350400000000 ] - [ -0.0007835200000000, -0.0001242700000000, 0.0002733500000000 ] - [ -0.0002325300000000, -0.0003114900000000, 0.0000224300000000 ] - [ -0.0003865400000000, -0.0000889200000000, 0.0000959500000000 ] - [ -0.0005202100000000, -0.0001005100000000, -0.0000152100000000 ] - [ -0.0001952300000000, 0.0002229500000000, -0.0002843600000000 ] - [ -0.0001887500000000, 0.0000906000000000, 0.0000809900000000 ] - [ -0.0002532200000000, 0.0006485100000000, 0.0001695500000000 ] - [ 0.0000083500000000, -0.0007029300000000, 0.0014221700000000 ] - [ 0.0002274400000000, 0.0015053900000000, 0.0001162000000000 ] - [ 0.0002382200000000, 0.0000622300000000, -0.0001978900000000 ] - [ 0.0002869100000000, 0.0000395700000000, -0.0002170400000000 ] - [ 0.0001102000000000, 0.0001890400000000, -0.0000407700000000 ] - [ -0.0002406200000000, -0.0004169600000000, -0.0000098400000000 ] - [ -0.0003071700000000, -0.0002157500000000, 0.0001021800000000 ] - [ -0.0000279700000000, -0.0001323200000000, 0.0001452900000000 ] - [ -0.0001802300000000, -0.0002461100000000, 0.0001640000000000 ] - [ 0.0006962400000000, 0.0000828900000000, -0.0010062100000000 ] - [ -0.0002427900000000, -0.0000754500000000, -0.0000294600000000 ] - [ 0.0021973400000000, -0.0005231800000000, -0.0000366700000000 ] - [ -0.0004739600000000, -0.0002359300000000, -0.0003397100000000 ] - [ 0.0002603500000000, 0.0000982400000000, 0.0003327900000000 ] - [ 0.0004661100000000, 0.0002237900000000, 0.0001975600000000 ] - [ 0.0006644300000000, 0.0002064800000000, 0.0003369300000000 ] - [ -0.0293083500000000, 0.0007634500000000, 0.0082069500000000 ] - [ -0.0007250900000000, 0.0002837400000000, -0.0001375500000000 ] - [ -0.0002830400000000, 0.0001721600000000, -0.0002168700000000 ] - [ -0.0003597700000000, 0.0001334300000000, -0.0003211800000000 ] - [ -0.0004389100000000, 0.0002026400000000, -0.0003030900000000 ] - [ 0.0000246500000000, 0.0000299900000000, 0.0001405300000000 ] - [ 0.0000537300000000, 0.0002623400000000, 0.0000803600000000 ] - [ -0.0001479200000000, 0.0001156400000000, -0.0000501300000000 ] - [ 0.0006213700000000, 0.0002966500000000, -0.0000861100000000 ] - [ -0.0029855300000000, 0.0023189500000000, 0.0045843900000000 ] - [ 0.0000113100000000, 0.0001077200000000, 0.0000034600000000 ] - [ -0.0003309500000000, 0.0001801500000000, 0.0003929200000000 ] - [ -0.0001959500000000, 0.0004477200000000, -0.0005512000000000 ] - [ -0.0005288400000000, 0.0000417500000000, 0.0000700100000000 ] - [ -0.0003091100000000, -0.0001174200000000, 0.0000845300000000 ] - [ -0.0008835100000000, 0.0002646600000000, 0.0001089400000000 ] - [ -0.0004534400000000, -0.0006023600000000, -0.0000025800000000 ] - [ 0.0022700100000000, 0.0011005400000000, 0.0013546500000000 ] - [ 0.0002969600000000, -0.0001650000000000, 0.0001929000000000 ] - [ 0.0001527000000000, -0.0000876300000000, 0.0001325900000000 ] - [ 0.0011981900000000, -0.0000697200000000, -0.0000319600000000 ] - [ 0.0018448800000000, -0.0009967500000000, -0.0015987200000000 ] - [ 0.0000323000000000, 0.0000684300000000, 0.0006847500000000 ] - [ -0.0000674900000000, 0.0001909600000000, 0.0003908100000000 ] - [ 0.0003319800000000, 0.0001432900000000, 0.0005015300000000 ] - [ -0.0001617100000000, 0.0002460200000000, -0.0002768000000000 ] - [ 0.0000217200000000, 0.0002542900000000, -0.0002253500000000 ] - [ -0.0001914300000000, -0.0020379100000000, -0.0015552700000000 ] - [ -0.0004404200000000, 0.0004457800000000, -0.0002790200000000 ] - [ -0.0020373900000000, -0.0037568100000000, -0.0000474100000000 ] - [ -0.0001848300000000, -0.0000007000000000, -0.0002836400000000 ] - [ -0.0002206000000000, 0.0000500500000000, -0.0001833600000000 ] - [ -0.0000807400000000, -0.0001607200000000, -0.0006791000000000 ] - [ 0.0001518800000000, 0.0000913400000000, 0.0003437400000000 ] - [ 0.0000306300000000, 0.0000185600000000, 0.0004218000000000 ] - [ -0.0000957100000000, -0.0000763700000000, 0.0001428800000000 ] - [ 0.0007187200000000, 0.0012341200000000, -0.0011559000000000 ]- atom: 5 displacement: [ 0.0045549923526468, 0.0000000000000000, -0.0089023617466001 ] forces: - [ -0.0004749500000000, 0.0006092500000000, 0.0005237500000000 ] - [ -0.0005212400000000, -0.0001620500000000, -0.0002596500000000 ] - [ 0.0049936600000000, -0.0068338200000000, -0.0107275400000000 ] - [ 0.0012439900000000, -0.0004758400000000, -0.0012023600000000 ] - [ -0.0437129500000000, 0.0001611900000000, 0.0891855600000000 ] - [ 0.0004526500000000, 0.0001107900000000, -0.0002225000000000 ] - [ 0.0002078600000000, 0.0000166200000000, -0.0002825800000000 ] - [ 0.0000509500000000, -0.0000581800000000, -0.0001862100000000 ] - [ -0.0000847000000000, 0.0000032400000000, 0.0001389900000000 ] - [ 0.0000165600000000, -0.0000164100000000, 0.0000448600000000 ] - [ -0.0001020700000000, -0.0000706000000000, 0.0003925900000000 ] - [ -0.0001221300000000, 0.0003445500000000, -0.0002079600000000 ] - [ 0.0000945600000000, -0.0000946300000000, -0.0000673500000000 ] - [ 0.0004689200000000, -0.0004032700000000, -0.0000884200000000 ] - [ 0.0005727200000000, -0.0001749000000000, 0.0002375900000000 ] - [ -0.0001996300000000, -0.0000740700000000, -0.0003123300000000 ] - [ 0.0011602700000000, 0.0002714100000000, -0.0004838700000000 ] - [ 0.0004086600000000, -0.0002469100000000, 0.0000821900000000 ] - [ 0.0006080600000000, -0.0002417400000000, -0.0001017900000000 ] - [ -0.0000216400000000, -0.0001280300000000, 0.0003046200000000 ] - [ 0.0001453000000000, -0.0001430400000000, -0.0003941800000000 ] - [ -0.0005054500000000, -0.0000400700000000, 0.0000760600000000 ] - [ 0.0006509000000000, -0.0002460500000000, -0.0028932700000000 ] - [ 0.0044022000000000, 0.0013981400000000, 0.0051983300000000 ] - [ -0.0004187000000000, -0.0002600600000000, 0.0002634300000000 ] - [ 0.0003691300000000, -0.0004746300000000, 0.0002448600000000 ] - [ 0.0008839300000000, -0.0001171500000000, 0.0009100800000000 ] - [ -0.0008786200000000, 0.0000105400000000, -0.0002068600000000 ] - [ -0.0001367700000000, -0.0003245900000000, -0.0004120000000000 ] - [ -0.0001813100000000, -0.0003184800000000, -0.0002850800000000 ] - [ 0.0004199200000000, 0.0010976900000000, 0.0000171700000000 ] - [ -0.0001468600000000, -0.0000793400000000, -0.0003457200000000 ] - [ -0.0001278500000000, 0.0001376600000000, -0.0001794800000000 ] - [ -0.0002031200000000, 0.0002239000000000, -0.0000281200000000 ] - [ -0.0002225500000000, 0.0001912500000000, -0.0000923500000000 ] - [ 0.0000189100000000, 0.0001726200000000, -0.0001219500000000 ] - [ 0.0012182200000000, 0.0000674800000000, -0.0007160700000000 ] - [ 0.0000420900000000, 0.0002004500000000, 0.0000973200000000 ] - [ 0.0026218700000000, 0.0000109300000000, -0.0010557200000000 ] - [ -0.0032130600000000, -0.0008463200000000, -0.0019255900000000 ] - [ -0.0005300900000000, 0.0000678000000000, 0.0000349500000000 ] - [ 0.0004563600000000, 0.0002098700000000, 0.0000527900000000 ] - [ 0.0002695100000000, 0.0003023700000000, 0.0019964900000000 ] - [ 0.0004510200000000, 0.0002336400000000, 0.0000582700000000 ] - [ 0.0001430700000000, 0.0008275500000000, 0.0002038800000000 ] - [ -0.0000853200000000, 0.0002275800000000, 0.0001079400000000 ] - [ -0.0003215000000000, 0.0002081600000000, 0.0000352600000000 ] - [ 0.0005127800000000, 0.0000912000000000, 0.0002253700000000 ] - [ -0.0001733700000000, 0.0002362300000000, 0.0003233700000000 ] - [ 0.0003293900000000, 0.0002564500000000, 0.0002028900000000 ] - [ -0.0002053400000000, -0.0012789200000000, 0.0011101400000000 ] - [ -0.0000410400000000, 0.0002052400000000, -0.0000423100000000 ] - [ 0.0000606300000000, -0.0002292500000000, -0.0000571300000000 ] - [ 0.0001494500000000, -0.0001465500000000, -0.0000017900000000 ] - [ 0.0002669700000000, -0.0000938500000000, -0.0005197900000000 ] - [ -0.0000518900000000, -0.0004985100000000, -0.0001915700000000 ] - [ 0.0000601600000000, 0.0002375300000000, 0.0002480000000000 ] - [ -0.0002963000000000, 0.0003392800000000, 0.0002591300000000 ] - [ -0.0003594200000000, 0.0001891500000000, -0.0001409600000000 ] - [ 0.0002241000000000, 0.0004396300000000, 0.0004751400000000 ] - [ 0.0021849800000000, -0.0170984600000000, -0.0159666200000000 ] - [ -0.0002702000000000, -0.0001676000000000, 0.0001713300000000 ] - [ -0.0001813600000000, -0.0002660600000000, 0.0001308500000000 ] - [ -0.0000543500000000, -0.0002238200000000, 0.0000439600000000 ] - [ -0.0000263100000000, -0.0000947300000000, -0.0000779400000000 ] - [ 0.0000086200000000, -0.0000993000000000, -0.0000534800000000 ] - [ -0.0000996600000000, -0.0000894500000000, -0.0002389100000000 ] - [ -0.0000336600000000, 0.0000141800000000, -0.0000555800000000 ] - [ -0.0008885900000000, 0.0198097800000000, -0.0514667700000000 ] - [ -0.0001942800000000, -0.0000776900000000, 0.0002248900000000 ] - [ -0.0000868800000000, -0.0001396900000000, 0.0002114200000000 ] - [ 0.0000861900000000, -0.0001272100000000, 0.0000029100000000 ] - [ 0.0004988000000000, 0.0000696600000000, -0.0002765000000000 ] - [ -0.0010207100000000, 0.0004306600000000, -0.0008325900000000 ] - [ -0.0005124500000000, -0.0001097500000000, -0.0000501800000000 ] - [ 0.0002937900000000, 0.0001188400000000, 0.0002005700000000 ] - [ 0.0000437800000000, 0.0000474700000000, 0.0000662700000000 ] - [ 0.0000474200000000, 0.0000410300000000, 0.0001058600000000 ] - [ 0.0002012800000000, 0.0000453800000000, -0.0004681700000000 ] - [ -0.0000757800000000, -0.0000543100000000, 0.0000001300000000 ] - [ 0.0004480000000000, 0.0000698100000000, -0.0002543500000000 ] - [ 0.0005596200000000, -0.0000498200000000, -0.0000684500000000 ] - [ -0.0001434700000000, 0.0009319400000000, -0.0001892100000000 ] - [ 0.0002542500000000, -0.0001381400000000, -0.0000008700000000 ] - [ -0.0001664600000000, 0.0000075500000000, -0.0001304100000000 ] - [ -0.0007156200000000, 0.0001974000000000, 0.0001180100000000 ] - [ -0.0005594800000000, -0.0000306300000000, 0.0000419500000000 ] - [ -0.0004264500000000, -0.0000203000000000, 0.0001520600000000 ] - [ -0.0002507200000000, -0.0000715600000000, 0.0005719200000000 ] - [ -0.0002525800000000, 0.0000613000000000, 0.0002083900000000 ] - [ -0.0001881900000000, -0.0004883000000000, 0.0001193300000000 ] - [ -0.0004540700000000, 0.0008568000000000, -0.0011287900000000 ] - [ 0.0002125100000000, -0.0013896500000000, -0.0004079000000000 ] - [ 0.0002051000000000, 0.0000879900000000, -0.0000891200000000 ] - [ 0.0001565400000000, 0.0001089200000000, -0.0000721000000000 ] - [ 0.0003304300000000, -0.0000362500000000, -0.0002444700000000 ] - [ -0.0002914600000000, 0.0000255400000000, 0.0002690600000000 ] - [ -0.0002249400000000, -0.0001754300000000, 0.0001568400000000 ] - [ -0.0004980600000000, -0.0002576400000000, 0.0001150900000000 ] - [ -0.0003527800000000, -0.0001459100000000, 0.0000970700000000 ] - [ -0.0001615100000000, -0.0004857400000000, 0.0007768500000000 ] - [ 0.0007795000000000, -0.0003189300000000, -0.0002283300000000 ] - [ -0.0016420000000000, 0.0001251100000000, -0.0002274500000000 ] - [ 0.0009956300000000, -0.0001546000000000, 0.0000820600000000 ] - [ 0.0005529900000000, 0.0002303400000000, 0.0002386300000000 ] - [ 0.0003576200000000, 0.0001053300000000, 0.0003740500000000 ] - [ 0.0001581500000000, 0.0001237800000000, 0.0002359000000000 ] - [ 0.0306431600000000, -0.0003727900000000, -0.0074939600000000 ] - [ -0.0000955200000000, 0.0000396600000000, -0.0004320400000000 ] - [ -0.0005310000000000, 0.0001559800000000, -0.0003509400000000 ] - [ -0.0004554100000000, 0.0001953800000000, -0.0002493000000000 ] - [ -0.0003808500000000, 0.0001268100000000, -0.0002678900000000 ] - [ 0.0000236500000000, 0.0002147000000000, -0.0001118100000000 ] - [ -0.0000128300000000, -0.0000222900000000, -0.0000526400000000 ] - [ 0.0001901200000000, 0.0001273900000000, 0.0000743900000000 ] - [ -0.0005694800000000, -0.0000536800000000, 0.0001080000000000 ] - [ 0.0029885400000000, -0.0021229500000000, -0.0047005700000000 ] - [ -0.0000588000000000, 0.0001319200000000, -0.0000277100000000 ] - [ 0.0002777800000000, 0.0000626900000000, -0.0004053900000000 ] - [ 0.0001499500000000, -0.0002055000000000, 0.0005285100000000 ] - [ -0.0002300200000000, -0.0002715100000000, -0.0001034600000000 ] - [ -0.0004516000000000, -0.0001101000000000, -0.0001203100000000 ] - [ 0.0001179800000000, -0.0004869100000000, -0.0001473200000000 ] - [ -0.0003067400000000, 0.0003748600000000, -0.0000373200000000 ] - [ -0.0014949400000000, -0.0013408900000000, -0.0013113400000000 ] - [ 0.0004581500000000, -0.0000638700000000, -0.0001520000000000 ] - [ 0.0006045000000000, -0.0001409700000000, -0.0000875000000000 ] - [ -0.0004286800000000, -0.0001566800000000, 0.0000756900000000 ] - [ -0.0016585900000000, 0.0013985500000000, 0.0023542500000000 ] - [ 0.0001487800000000, 0.0003211400000000, 0.0000780400000000 ] - [ 0.0002517200000000, 0.0001973000000000, 0.0003756600000000 ] - [ -0.0001429800000000, 0.0002436400000000, 0.0002636600000000 ] - [ -0.0000234700000000, 0.0001450100000000, -0.0004805100000000 ] - [ -0.0002065100000000, 0.0001360200000000, -0.0005318200000000 ] - [ 0.0000147800000000, 0.0024142000000000, 0.0007743700000000 ] - [ 0.0002508900000000, -0.0000556700000000, -0.0004840900000000 ] - [ 0.0018042600000000, 0.0037916800000000, -0.0005088900000000 ] - [ -0.0000601000000000, 0.0000352200000000, -0.0002770700000000 ] - [ -0.0000263000000000, -0.0000184600000000, -0.0003723000000000 ] - [ -0.0001601200000000, 0.0001919200000000, 0.0001181200000000 ] - [ 0.0000906800000000, -0.0000587800000000, 0.0002208600000000 ] - [ 0.0002080100000000, 0.0000142000000000, 0.0001440000000000 ] - [ 0.0003337600000000, 0.0001060300000000, 0.0004177100000000 ] - [ -0.0005028500000000, -0.0011632200000000, 0.0016872000000000 ]- atom: 17 displacement: [ 0.0099999730884809, 0.0000000000000000, -0.0000231997770880 ] forces: - [ -0.0010004300000000, -0.0001174900000000, -0.0001926000000000 ] - [ 0.0000995900000000, -0.0004547800000000, 0.0001049500000000 ] - [ -0.0007301200000000, -0.0001930300000000, 0.0000196900000000 ] - [ -0.0000280200000000, -0.0000823500000000, -0.0001757900000000 ] - [ 0.0008170600000000, -0.0006633700000000, -0.0007390900000000 ] - [ 0.0005932300000000, 0.0001918800000000, -0.0000105200000000 ] - [ 0.0002036800000000, 0.0001671300000000, -0.0004441800000000 ] - [ -0.0000946700000000, -0.0000907300000000, 0.0001246800000000 ] - [ 0.0003230300000000, 0.0000871000000000, -0.0001359800000000 ] - [ 0.0002084200000000, 0.0000897200000000, 0.0005287700000000 ] - [ 0.0032644700000000, 0.0002381100000000, 0.0007624300000000 ] - [ 0.0077735900000000, -0.0003351400000000, -0.0011002100000000 ] - [ 0.0178985800000000, -0.0032518000000000, 0.0002356700000000 ] - [ 0.0018112300000000, -0.0004518000000000, -0.0000940900000000 ] - [ 0.0005741200000000, 0.0000348500000000, 0.0001731800000000 ] - [ 0.0002220700000000, -0.0003389100000000, 0.0002970600000000 ] - [ -0.0584828000000000, -0.0026756300000000, 0.0021680300000000 ] - [ 0.0019560800000000, -0.0004760200000000, -0.0001099400000000 ] - [ 0.0002818600000000, -0.0003595800000000, -0.0001554000000000 ] - [ 0.0002257200000000, -0.0000315200000000, 0.0003072300000000 ] - [ 0.0001291000000000, -0.0007345500000000, 0.0001768000000000 ] - [ 0.0004170900000000, -0.0001819300000000, -0.0002272100000000 ] - [ -0.0004909700000000, -0.0002582000000000, -0.0002342700000000 ] - [ -0.0003000400000000, -0.0003188400000000, 0.0000133400000000 ] - [ -0.0010291400000000, 0.0008542600000000, 0.0013210600000000 ] - [ 0.0003913700000000, -0.0004127900000000, -0.0000430600000000 ] - [ 0.0004572400000000, -0.0001719900000000, 0.0003760900000000 ] - [ -0.0000656600000000, -0.0001590700000000, 0.0002998400000000 ] - [ 0.0077969700000000, -0.0006554800000000, 0.0001497000000000 ] - [ 0.0023594100000000, 0.0010580000000000, -0.0000498000000000 ] - [ 0.0001916700000000, -0.0001473400000000, 0.0000046900000000 ] - [ 0.0001831500000000, -0.0001913200000000, -0.0008247500000000 ] - [ 0.0160301500000000, -0.0050682000000000, 0.0125933600000000 ] - [ -0.0010157500000000, 0.0002507600000000, -0.0000419700000000 ] - [ -0.0002760600000000, 0.0001407900000000, -0.0000038400000000 ] - [ 0.0001631900000000, 0.0001255300000000, -0.0001728600000000 ] - [ 0.0007147300000000, 0.0000375800000000, -0.0003226000000000 ] - [ -0.0001453300000000, 0.0001969400000000, 0.0000302900000000 ] - [ 0.0004859100000000, 0.0001157700000000, 0.0000671300000000 ] - [ -0.0000970800000000, 0.0002985700000000, 0.0000553900000000 ] - [ 0.0005311000000000, 0.0002039900000000, -0.0000859100000000 ] - [ -0.0005225100000000, 0.0001779300000000, -0.0001912500000000 ] - [ 0.0003887100000000, 0.0003859100000000, 0.0001829400000000 ] - [ -0.0001885400000000, 0.0002920000000000, -0.0000578700000000 ] - [ 0.0190519000000000, 0.0067684500000000, -0.0151154500000000 ] - [ -0.0010926500000000, 0.0003450100000000, 0.0001712200000000 ] - [ -0.0000616700000000, 0.0002181100000000, 0.0000506700000000 ] - [ -0.0002201200000000, 0.0003826600000000, -0.0001832300000000 ] - [ -0.0019276800000000, -0.0010465900000000, 0.0005293100000000 ] - [ -0.0008765900000000, 0.0013746900000000, -0.0013668200000000 ] - [ 0.0004071700000000, 0.0001412700000000, -0.0000347900000000 ] - [ -0.0001389200000000, 0.0001332500000000, 0.0000635800000000 ] - [ 0.0003737100000000, -0.0002153500000000, -0.0000202500000000 ] - [ -0.0000252500000000, -0.0001465500000000, -0.0001340700000000 ] - [ -0.0006506100000000, -0.0010782300000000, 0.0005413900000000 ] - [ -0.0014318200000000, 0.0009094000000000, -0.0003203700000000 ] - [ 0.0000357300000000, -0.0008693600000000, -0.0006496000000000 ] - [ -0.0002693300000000, 0.0008527000000000, 0.0004516000000000 ] - [ -0.0002940300000000, 0.0001585000000000, -0.0000168800000000 ] - [ 0.0002496900000000, 0.0002641000000000, -0.0000008600000000 ] - [ -0.0006852300000000, 0.0002279500000000, 0.0004825000000000 ] - [ -0.0006215700000000, -0.0002266300000000, 0.0000769600000000 ] - [ -0.0002941200000000, -0.0003899900000000, 0.0003629100000000 ] - [ -0.0001613000000000, -0.0000587500000000, -0.0002313300000000 ] - [ -0.0003710500000000, -0.0004347900000000, -0.0007162700000000 ] - [ -0.0001454700000000, -0.0001571700000000, -0.0002186900000000 ] - [ -0.0018489400000000, -0.0000894000000000, 0.0010913700000000 ] - [ -0.0016246100000000, -0.0006202600000000, -0.0006059200000000 ] - [ 0.0008070200000000, 0.0000973300000000, 0.0002341600000000 ] - [ -0.0003760100000000, -0.0000961700000000, 0.0002214100000000 ] - [ -0.0000269900000000, -0.0001107800000000, 0.0002187400000000 ] - [ 0.0000751600000000, -0.0001158500000000, -0.0000147400000000 ] - [ -0.0002707700000000, 0.0001060100000000, -0.0001626300000000 ] - [ -0.0002911300000000, 0.0000068100000000, 0.0000900400000000 ] - [ -0.0001352400000000, -0.0000492200000000, 0.0000017600000000 ] - [ 0.0000662400000000, -0.0000011200000000, -0.0000498900000000 ] - [ -0.0010033000000000, 0.0005709700000000, 0.0003973400000000 ] - [ -0.0010344700000000, -0.0004298400000000, -0.0009294400000000 ] - [ -0.0000606800000000, 0.0002085400000000, 0.0006180600000000 ] - [ -0.0001532400000000, -0.0000711000000000, 0.0000419300000000 ] - [ 0.0004899000000000, -0.0000137600000000, 0.0001270900000000 ] - [ 0.0004097700000000, 0.0001827200000000, -0.0003282500000000 ] - [ 0.0007676000000000, -0.0003027600000000, -0.0000130300000000 ] - [ 0.0001079800000000, -0.0000298600000000, -0.0000439900000000 ] - [ -0.0018676600000000, 0.0021322600000000, 0.0008130100000000 ] - [ -0.0012029300000000, -0.0001050000000000, 0.0000935600000000 ] - [ -0.0003148800000000, -0.0000003500000000, 0.0002049900000000 ] - [ -0.0005330000000000, -0.0001573100000000, -0.0000532800000000 ] - [ 0.0000215700000000, 0.0003938000000000, -0.0000897100000000 ] - [ -0.0006366000000000, -0.0000383100000000, 0.0001698900000000 ] - [ -0.0003914000000000, 0.0002095900000000, 0.0004396900000000 ] - [ -0.0002602900000000, -0.0000115600000000, -0.0000494400000000 ] - [ 0.0096181500000000, 0.0020090600000000, 0.0006280600000000 ] - [ -0.0001817600000000, 0.0002447200000000, -0.0001060900000000 ] - [ 0.0001606300000000, 0.0000880600000000, 0.0001893700000000 ] - [ 0.0000472100000000, 0.0000636800000000, -0.0005502700000000 ] - [ -0.0063249900000000, -0.0009559600000000, 0.0011170100000000 ] - [ -0.0028821900000000, -0.0006420600000000, -0.0000038200000000 ] - [ 0.0004102800000000, -0.0001653900000000, -0.0000345600000000 ] - [ -0.0011088800000000, -0.0005123000000000, -0.0001592400000000 ] - [ 0.0021786700000000, 0.0009390300000000, 0.0000178200000000 ] - [ -0.0002046200000000, -0.0001003600000000, -0.0000185700000000 ] - [ 0.0000810300000000, -0.0002561400000000, -0.0000576600000000 ] - [ 0.0004220200000000, 0.0000242600000000, -0.0002945300000000 ] - [ 0.0005169000000000, 0.0003167000000000, 0.0001662100000000 ] - [ 0.0002123400000000, 0.0000376000000000, 0.0003434600000000 ] - [ -0.0002408600000000, 0.0004787000000000, 0.0002987800000000 ] - [ 0.0009668400000000, 0.0004181900000000, 0.0004406800000000 ] - [ -0.0063439200000000, 0.0015062600000000, -0.0018542400000000 ] - [ -0.0025182500000000, 0.0000742900000000, -0.0003788000000000 ] - [ -0.0010702000000000, 0.0003629500000000, -0.0000523800000000 ] - [ 0.0002280200000000, 0.0001259900000000, -0.0001587800000000 ] - [ -0.0006859800000000, 0.0025548000000000, 0.0010027500000000 ] - [ 0.0005407500000000, -0.0001574500000000, -0.0000177600000000 ] - [ 0.0006951700000000, 0.0003182700000000, -0.0004971600000000 ] - [ -0.0003337900000000, -0.0008658600000000, 0.0026704300000000 ] - [ -0.0005233400000000, 0.0022850600000000, 0.0007980500000000 ] - [ 0.0011172900000000, -0.0005113800000000, 0.0000090500000000 ] - [ -0.0000546800000000, 0.0001045300000000, -0.0002203100000000 ] - [ -0.0000384300000000, 0.0002434200000000, 0.0002210900000000 ] - [ -0.0007438900000000, -0.0021437900000000, -0.0012232300000000 ] - [ 0.0002636400000000, 0.0002207100000000, 0.0001496300000000 ] - [ -0.0008848400000000, 0.0008018200000000, -0.0020620000000000 ] - [ 0.0003575000000000, -0.0003304800000000, 0.0004227300000000 ] - [ -0.0005285500000000, -0.0036720300000000, -0.0005080700000000 ] - [ 0.0012203600000000, 0.0001183300000000, 0.0003055700000000 ] - [ 0.0004594600000000, -0.0001002800000000, -0.0001675700000000 ] - [ 0.0003491500000000, -0.0000795800000000, 0.0002140800000000 ] - [ -0.0006743900000000, 0.0027611700000000, 0.0015706500000000 ] - [ 0.0007763800000000, -0.0000297600000000, 0.0000476300000000 ] - [ 0.0000569500000000, 0.0002179400000000, 0.0002351600000000 ] - [ 0.0001428200000000, 0.0000997200000000, 0.0005942200000000 ] - [ -0.0006197300000000, 0.0008946800000000, -0.0027602900000000 ] - [ 0.0006022600000000, 0.0002381000000000, 0.0002167300000000 ] - [ -0.0008864500000000, -0.0023226700000000, -0.0024403600000000 ] - [ 0.0005866900000000, 0.0006270200000000, -0.0003957100000000 ] - [ -0.0004750800000000, -0.0025346000000000, -0.0012094900000000 ] - [ 0.0005752500000000, 0.0001850000000000, -0.0001177700000000 ] - [ -0.0000868500000000, -0.0000312000000000, -0.0004109800000000 ] - [ -0.0001904600000000, -0.0000193100000000, -0.0000937000000000 ] - [ -0.0003492100000000, -0.0005866400000000, 0.0025415600000000 ] - [ 0.0007644900000000, 0.0001158000000000, -0.0001068000000000 ] - [ 0.0012425600000000, -0.0003042200000000, -0.0003165000000000 ] - [ -0.0002307600000000, 0.0019025900000000, 0.0012925000000000 ]- atom: 17 displacement: [ -0.0099999730884809, 0.0000000000000000, 0.0000231997770880 ] forces: - [ 0.0002064600000000, -0.0000757000000000, -0.0001032600000000 ] - [ -0.0008872500000000, 0.0002636800000000, -0.0004019000000000 ] - [ -0.0000518800000000, -0.0000061100000000, -0.0003260300000000 ] - [ -0.0007592900000000, -0.0001098200000000, -0.0001219800000000 ] - [ -0.0006681800000000, 0.0006738900000000, 0.0003684900000000 ] - [ -0.0004344900000000, -0.0001759400000000, -0.0003557100000000 ] - [ -0.0000435000000000, -0.0001528400000000, 0.0000714500000000 ] - [ 0.0002530700000000, 0.0001045700000000, -0.0004930300000000 ] - [ -0.0004814800000000, -0.0000761900000000, 0.0005000700000000 ] - [ -0.0003657400000000, -0.0000769300000000, -0.0001577700000000 ] - [ -0.0034109600000000, -0.0002166200000000, -0.0004179300000000 ] - [ -0.0078914100000000, 0.0003319300000000, 0.0014839400000000 ] - [ -0.0172446900000000, 0.0031280500000000, 0.0000648800000000 ] - [ -0.0010104800000000, 0.0002559500000000, 0.0003903800000000 ] - [ 0.0002097900000000, -0.0002247800000000, 0.0001207900000000 ] - [ 0.0005648100000000, 0.0001436700000000, 0.0000036000000000 ] - [ 0.0608026400000000, 0.0019697600000000, -0.0020720800000000 ] - [ -0.0012904800000000, 0.0000403300000000, 0.0002502200000000 ] - [ 0.0003639900000000, -0.0000754500000000, 0.0002957800000000 ] - [ 0.0004240600000000, -0.0003983000000000, -0.0001658900000000 ] - [ -0.0007811500000000, 0.0003067000000000, -0.0003202300000000 ] - [ -0.0010688700000000, -0.0002539100000000, 0.0000830800000000 ] - [ -0.0001601500000000, -0.0001743300000000, 0.0000924600000000 ] - [ -0.0003512500000000, -0.0001170200000000, -0.0001583200000000 ] - [ 0.0014427600000000, -0.0011674900000000, -0.0006688200000000 ] - [ 0.0000171700000000, 0.0001079900000000, 0.0006974900000000 ] - [ -0.0000470400000000, -0.0001300800000000, 0.0002822500000000 ] - [ 0.0004722600000000, -0.0001434700000000, 0.0003564600000000 ] - [ -0.0081464100000000, 0.0003589600000000, -0.0008265600000000 ] - [ -0.0027664400000000, -0.0013778200000000, -0.0005841600000000 ] - [ -0.0006035200000000, -0.0001501700000000, -0.0006550200000000 ] - [ -0.0005888200000000, -0.0001127800000000, 0.0001617400000000 ] - [ -0.0168776600000000, 0.0058111300000000, -0.0133599900000000 ] - [ 0.0007755600000000, 0.0001273700000000, -0.0001170500000000 ] - [ 0.0000435100000000, 0.0002362600000000, -0.0001570300000000 ] - [ -0.0003926400000000, 0.0002532300000000, 0.0000089200000000 ] - [ -0.0004788700000000, 0.0003401700000000, 0.0004745100000000 ] - [ 0.0003723200000000, 0.0001796000000000, 0.0001267000000000 ] - [ -0.0002608400000000, 0.0002627100000000, 0.0000928600000000 ] - [ 0.0003256400000000, 0.0000800600000000, 0.0001030000000000 ] - [ -0.0003408100000000, 0.0002417100000000, 0.0001086000000000 ] - [ 0.0007101100000000, 0.0002702500000000, 0.0002135500000000 ] - [ -0.0001977500000000, 0.0000608000000000, -0.0001597500000000 ] - [ 0.0003750100000000, 0.0001557300000000, 0.0000788700000000 ] - [ -0.0199997800000000, -0.0065305900000000, 0.0158743600000000 ] - [ 0.0008929100000000, 0.0001060300000000, -0.0001952800000000 ] - [ -0.0001269500000000, 0.0002293000000000, -0.0000736700000000 ] - [ 0.0000277800000000, 0.0000655100000000, 0.0001591600000000 ] - [ 0.0020845800000000, 0.0013811100000000, -0.0005556100000000 ] - [ 0.0010455000000000, -0.0010315300000000, 0.0013377200000000 ] - [ -0.0002376600000000, 0.0001953900000000, 0.0000045500000000 ] - [ 0.0003071600000000, 0.0002049300000000, -0.0000916200000000 ] - [ -0.0001289200000000, -0.0001789100000000, -0.0001546800000000 ] - [ 0.0002687200000000, -0.0002487300000000, -0.0000385600000000 ] - [ 0.0008914700000000, 0.0006784000000000, -0.0007100000000000 ] - [ 0.0016709200000000, -0.0013012600000000, 0.0001478500000000 ] - [ -0.0002088800000000, 0.0012156200000000, 0.0006783600000000 ] - [ 0.0000969200000000, -0.0005088300000000, -0.0004223000000000 ] - [ 0.0001202500000000, 0.0001801300000000, 0.0000430700000000 ] - [ -0.0004195400000000, 0.0000751700000000, 0.0000263600000000 ] - [ 0.0004425300000000, -0.0006551100000000, -0.0003265400000000 ] - [ 0.0003725700000000, -0.0001686200000000, 0.0000921200000000 ] - [ 0.0000451000000000, -0.0000080600000000, -0.0001914800000000 ] - [ -0.0000854500000000, -0.0003347400000000, 0.0003996300000000 ] - [ 0.0003725100000000, 0.0002208900000000, 0.0004224900000000 ] - [ 0.0001540400000000, -0.0000617900000000, -0.0000763600000000 ] - [ 0.0018477500000000, -0.0001254500000000, -0.0013815700000000 ] - [ 0.0016261500000000, 0.0004036800000000, 0.0003139700000000 ] - [ -0.0008109500000000, -0.0003159200000000, 0.0000645400000000 ] - [ 0.0003625900000000, -0.0001223600000000, 0.0000699400000000 ] - [ 0.0000156900000000, -0.0001077700000000, 0.0000731100000000 ] - [ -0.0000864200000000, -0.0001023700000000, 0.0003067000000000 ] - [ 0.0002038700000000, -0.0001524900000000, 0.0001351200000000 ] - [ 0.0002226600000000, -0.0000539300000000, -0.0001162900000000 ] - [ 0.0000679300000000, 0.0000028500000000, -0.0000277400000000 ] - [ -0.0001325900000000, -0.0000451400000000, 0.0000234800000000 ] - [ 0.0010642400000000, -0.0006143600000000, -0.0003733700000000 ] - [ 0.0010915300000000, 0.0003821000000000, 0.0009489600000000 ] - [ 0.0001207900000000, -0.0002633600000000, -0.0006094500000000 ] - [ 0.0002211700000000, 0.0000253600000000, -0.0000178800000000 ] - [ 0.0004594200000000, -0.0001105000000000, -0.0002647600000000 ] - [ 0.0005396500000000, -0.0003070100000000, 0.0001878000000000 ] - [ 0.0001826700000000, 0.0001867100000000, -0.0001258100000000 ] - [ 0.0008396000000000, -0.0000937000000000, -0.0000953400000000 ] - [ 0.0009108200000000, -0.0022748300000000, -0.0006845200000000 ] - [ 0.0002441000000000, -0.0000185500000000, 0.0000425800000000 ] - [ -0.0006351700000000, -0.0001226800000000, -0.0000651500000000 ] - [ -0.0004192700000000, 0.0000326900000000, 0.0001869000000000 ] - [ -0.0004669800000000, -0.0002523000000000, 0.0003797400000000 ] - [ 0.0001892300000000, 0.0001969500000000, 0.0001152300000000 ] - [ -0.0000553600000000, -0.0000516400000000, -0.0001548500000000 ] - [ -0.0001878600000000, 0.0001697200000000, 0.0003326100000000 ] - [ -0.0091402500000000, -0.0017256400000000, -0.0008633600000000 ] - [ 0.0006240600000000, -0.0000830300000000, -0.0001785100000000 ] - [ 0.0002841500000000, 0.0000724100000000, -0.0004727000000000 ] - [ 0.0003958400000000, 0.0000952000000000, 0.0002615000000000 ] - [ 0.0057767700000000, 0.0005319900000000, -0.0008137500000000 ] - [ 0.0023164700000000, 0.0002510100000000, 0.0002626200000000 ] - [ -0.0009301300000000, -0.0002282300000000, 0.0002986000000000 ] - [ 0.0005717600000000, 0.0001148100000000, 0.0004227600000000 ] - [ -0.0016595900000000, -0.0013271000000000, -0.0002825200000000 ] - [ 0.0007294100000000, -0.0002933900000000, -0.0002487300000000 ] - [ 0.0004443200000000, -0.0001386700000000, -0.0002104300000000 ] - [ 0.0001056200000000, -0.0004161200000000, 0.0000253400000000 ] - [ 0.0002954900000000, 0.0000155600000000, 0.0004103400000000 ] - [ 0.0005996200000000, 0.0002932700000000, 0.0002343700000000 ] - [ 0.0010520100000000, -0.0001474100000000, 0.0002778700000000 ] - [ -0.0001456000000000, -0.0000898900000000, 0.0001359300000000 ] - [ 0.0055357000000000, -0.0011526800000000, 0.0012276300000000 ] - [ 0.0016623600000000, 0.0002517600000000, -0.0001923800000000 ] - [ 0.0002489600000000, -0.0000281600000000, -0.0005248700000000 ] - [ -0.0010366800000000, 0.0002055200000000, -0.0004211300000000 ] - [ 0.0007417200000000, -0.0023195900000000, -0.0009684700000000 ] - [ -0.0004930300000000, 0.0003877900000000, 0.0000384000000000 ] - [ -0.0006505300000000, -0.0000825500000000, 0.0005117000000000 ] - [ 0.0003825000000000, 0.0010855300000000, -0.0026201800000000 ] - [ 0.0004725200000000, -0.0020270200000000, -0.0008078600000000 ] - [ -0.0011625700000000, 0.0007412800000000, -0.0000366800000000 ] - [ 0.0000080000000000, 0.0001303400000000, 0.0001958800000000 ] - [ -0.0000066700000000, -0.0000095300000000, -0.0002440500000000 ] - [ -0.0000394700000000, 0.0018949500000000, 0.0011978100000000 ] - [ -0.0010202900000000, -0.0004423300000000, -0.0001827300000000 ] - [ 0.0001178800000000, -0.0010296400000000, 0.0020213100000000 ] - [ -0.0011114000000000, 0.0001016000000000, -0.0004543900000000 ] - [ 0.0012819700000000, 0.0034408400000000, 0.0005353200000000 ] - [ -0.0004571200000000, -0.0003420300000000, -0.0002720100000000 ] - [ 0.0002969800000000, -0.0001264000000000, 0.0001983900000000 ] - [ 0.0004076900000000, -0.0001472800000000, -0.0001813200000000 ] - [ 0.0008724800000000, -0.0023579300000000, -0.0008161700000000 ] - [ -0.0005881200000000, 0.0004213900000000, 0.0007104200000000 ] - [ 0.0001275600000000, 0.0001760900000000, 0.0005226900000000 ] - [ 0.0000410700000000, 0.0002940300000000, 0.0001662500000000 ] - [ 0.0004354400000000, -0.0004922200000000, 0.0019672100000000 ] - [ -0.0007874700000000, 0.0001525300000000, -0.0009715400000000 ] - [ 0.0006937600000000, 0.0027158500000000, 0.0016799200000000 ] - [ -0.0007681500000000, -0.0002300200000000, -0.0003647700000000 ] - [ 0.0002088800000000, 0.0025594100000000, 0.0006346100000000 ] - [ -0.0008153800000000, -0.0001404300000000, -0.0004336000000000 ] - [ -0.0001559900000000, 0.0000693700000000, -0.0001442800000000 ] - [ -0.0000526000000000, 0.0000573400000000, -0.0004604400000000 ] - [ 0.0005825700000000, 0.0006202500000000, -0.0019816200000000 ] - [ -0.0005192800000000, -0.0000763300000000, 0.0006559200000000 ] - [ -0.0010008600000000, 0.0003372400000000, 0.0008686200000000 ] - [ 0.0004695000000000, -0.0018424500000000, -0.0007340300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008596400000000, -0.0001423700000000, 0.0005174200000000 ] - [ -0.0003080700000000, 0.0000851000000000, -0.0002035000000000 ] - [ -0.0002774600000000, 0.0006440100000000, -0.0000089100000000 ] - [ -0.0004164600000000, -0.0001028700000000, -0.0001663600000000 ] - [ 0.0011046000000000, 0.0040193900000000, -0.0001661700000000 ] - [ 0.0000594500000000, 0.0000343900000000, -0.0001621100000000 ] - [ -0.0000126300000000, 0.0001101400000000, -0.0002092300000000 ] - [ 0.0001836400000000, 0.0000444700000000, -0.0002313100000000 ] - [ 0.0000385900000000, -0.0000924700000000, 0.0003334600000000 ] - [ -0.0000051200000000, -0.0000456200000000, 0.0004248100000000 ] - [ 0.0004637400000000, 0.0003857000000000, 0.0004184700000000 ] - [ -0.0031895800000000, 0.0012518700000000, 0.0004419600000000 ] - [ -0.0017950700000000, -0.0025737600000000, 0.0068720100000000 ] - [ 0.0003626300000000, -0.0007575000000000, 0.0009248600000000 ] - [ 0.0002807400000000, -0.0001055600000000, 0.0002602800000000 ] - [ 0.0004598800000000, 0.0000748700000000, -0.0001408700000000 ] - [ -0.0019429100000000, -0.0820956200000000, -0.0130851000000000 ] - [ 0.0000735100000000, -0.0002999300000000, 0.0000783000000000 ] - [ 0.0001841900000000, -0.0000197200000000, -0.0001027700000000 ] - [ 0.0005084600000000, -0.0002215200000000, 0.0000069500000000 ] - [ 0.0001938600000000, 0.0004583500000000, 0.0002932600000000 ] - [ -0.0003607100000000, -0.0001520900000000, -0.0000102900000000 ] - [ -0.0002882600000000, -0.0004964100000000, -0.0001575500000000 ] - [ -0.0002197700000000, -0.0002917600000000, 0.0000745400000000 ] - [ 0.0004568600000000, 0.0000035600000000, 0.0005505700000000 ] - [ 0.0000136500000000, 0.0003792300000000, 0.0004819700000000 ] - [ 0.0001759200000000, -0.0001230600000000, 0.0003813600000000 ] - [ 0.0002302600000000, -0.0002104500000000, 0.0002509500000000 ] - [ 0.0043282300000000, 0.0001273600000000, 0.0005577400000000 ] - [ -0.0023934900000000, 0.0007957400000000, -0.0011108300000000 ] - [ -0.0001956000000000, -0.0003293800000000, -0.0006782000000000 ] - [ -0.0003434200000000, -0.0001200600000000, -0.0000457200000000 ] - [ -0.0027268200000000, 0.0071960500000000, -0.0060600800000000 ] - [ -0.0001088700000000, 0.0003834200000000, -0.0003451600000000 ] - [ 0.0000614700000000, 0.0001334300000000, 0.0000081000000000 ] - [ -0.0002503500000000, 0.0001280500000000, 0.0000153900000000 ] - [ 0.0003785200000000, -0.0003501900000000, -0.0007313600000000 ] - [ 0.0000642000000000, 0.0002122600000000, 0.0000561700000000 ] - [ 0.0002407700000000, 0.0000844100000000, 0.0000494400000000 ] - [ 0.0000297700000000, 0.0001355700000000, 0.0000204900000000 ] - [ 0.0001574900000000, 0.0000285500000000, -0.0002006200000000 ] - [ 0.0000493400000000, 0.0001579300000000, -0.0000217600000000 ] - [ -0.0000617600000000, -0.0000302500000000, 0.0000271800000000 ] - [ 0.0001486300000000, 0.0002149100000000, 0.0000069400000000 ] - [ 0.0050187100000000, 0.0091549000000000, -0.0065445900000000 ] - [ 0.0000564300000000, 0.0003494900000000, -0.0002422900000000 ] - [ -0.0001129900000000, 0.0002120600000000, 0.0000110200000000 ] - [ -0.0001016700000000, 0.0001871600000000, 0.0001844800000000 ] - [ -0.0004810700000000, -0.0001956800000000, 0.0000909300000000 ] - [ 0.0004892900000000, 0.0001695500000000, -0.0001438000000000 ] - [ 0.0001307800000000, 0.0001266200000000, -0.0000169300000000 ] - [ 0.0001287200000000, 0.0001562000000000, -0.0000204300000000 ] - [ -0.0000282000000000, -0.0001698000000000, -0.0008235600000000 ] - [ 0.0001159500000000, -0.0001379300000000, -0.0000668600000000 ] - [ 0.0000638300000000, 0.0004726700000000, -0.0003462000000000 ] - [ 0.0001471000000000, 0.0001306400000000, 0.0000423900000000 ] - [ -0.0009603500000000, -0.0001356800000000, -0.0001117700000000 ] - [ 0.0008624700000000, -0.0001802300000000, -0.0002053700000000 ] - [ -0.0000277700000000, 0.0001484900000000, -0.0000412600000000 ] - [ -0.0001529300000000, 0.0001786900000000, 0.0000307700000000 ] - [ -0.0002754900000000, -0.0044787300000000, -0.0011372300000000 ] - [ -0.0000828700000000, -0.0002407000000000, 0.0000592600000000 ] - [ -0.0001453600000000, -0.0003120300000000, 0.0001311600000000 ] - [ -0.0001188700000000, -0.0002717200000000, 0.0001191300000000 ] - [ -0.0005372900000000, 0.0007772900000000, -0.0009375100000000 ] - [ -0.0000666600000000, -0.0001204100000000, -0.0002399700000000 ] - [ -0.0004926400000000, -0.0001659200000000, -0.0004901800000000 ] - [ 0.0009705000000000, 0.0000734500000000, 0.0000933400000000 ] - [ 0.0000256500000000, -0.0009352100000000, 0.0007956500000000 ] - [ 0.0000316700000000, -0.0001346000000000, 0.0001397700000000 ] - [ 0.0000600300000000, -0.0001112200000000, -0.0000186000000000 ] - [ -0.0000539300000000, -0.0001408100000000, 0.0001444900000000 ] - [ -0.0003168800000000, -0.0003173600000000, -0.0001299700000000 ] - [ 0.0002651400000000, -0.0004316300000000, -0.0002263500000000 ] - [ -0.0000347300000000, -0.0000236900000000, -0.0001069000000000 ] - [ -0.0000223000000000, -0.0000389300000000, 0.0000570100000000 ] - [ -0.0006350800000000, 0.0007753800000000, 0.0002490800000000 ] - [ 0.0008890600000000, 0.0002955100000000, 0.0001506000000000 ] - [ 0.0004274600000000, 0.0002522000000000, 0.0000558400000000 ] - [ 0.0000349100000000, -0.0000577300000000, -0.0000902400000000 ] - [ 0.0008157100000000, -0.0003594200000000, -0.0003749200000000 ] - [ 0.0003294400000000, -0.0001968200000000, -0.0000871000000000 ] - [ 0.0001400500000000, -0.0005067200000000, 0.0005363500000000 ] - [ 0.0005338500000000, -0.0000758300000000, -0.0000772500000000 ] - [ -0.0007801500000000, -0.0000492000000000, -0.0006503500000000 ] - [ -0.0005957500000000, -0.0000189500000000, -0.0001774800000000 ] - [ -0.0004162500000000, -0.0000702200000000, 0.0000095000000000 ] - [ -0.0005004100000000, -0.0000262800000000, 0.0001866500000000 ] - [ -0.0003325200000000, -0.0003215000000000, 0.0002954500000000 ] - [ -0.0002792500000000, 0.0000064000000000, 0.0001502300000000 ] - [ -0.0003346600000000, 0.0001177000000000, 0.0001646200000000 ] - [ -0.0002155600000000, 0.0001450500000000, 0.0001249600000000 ] - [ 0.0018137900000000, 0.0611940500000000, 0.0222462600000000 ] - [ 0.0002658900000000, 0.0001050800000000, -0.0001102600000000 ] - [ 0.0001971400000000, 0.0000863800000000, -0.0001694400000000 ] - [ 0.0002286500000000, 0.0001180400000000, -0.0000383300000000 ] - [ -0.0035535400000000, 0.0000902800000000, -0.0018654500000000 ] - [ 0.0007440500000000, -0.0004017000000000, 0.0005139900000000 ] - [ -0.0007587800000000, -0.0002707200000000, 0.0002382900000000 ] - [ 0.0001648000000000, -0.0000286000000000, 0.0002806700000000 ] - [ 0.0009083400000000, -0.0000149600000000, -0.0000692200000000 ] - [ 0.0005424100000000, -0.0003111300000000, -0.0002088300000000 ] - [ 0.0002934800000000, -0.0002097500000000, -0.0001568900000000 ] - [ 0.0002312600000000, -0.0002541000000000, -0.0000821600000000 ] - [ 0.0002853900000000, 0.0000542700000000, 0.0002723800000000 ] - [ 0.0004519100000000, 0.0000685900000000, 0.0002916700000000 ] - [ 0.0004132900000000, 0.0001287400000000, 0.0003409100000000 ] - [ -0.0005566100000000, -0.0002488700000000, 0.0003443200000000 ] - [ 0.0016149900000000, 0.0001167400000000, -0.0010847100000000 ] - [ 0.0005998600000000, 0.0003635800000000, -0.0004840800000000 ] - [ -0.0007125100000000, 0.0003091900000000, -0.0000036900000000 ] - [ -0.0003148400000000, 0.0003497700000000, -0.0004816100000000 ] - [ 0.0029245100000000, -0.0017639400000000, 0.0023878700000000 ] - [ -0.0000408700000000, -0.0002704300000000, 0.0002759600000000 ] - [ -0.0000704200000000, 0.0000776500000000, 0.0003562400000000 ] - [ 0.0000606200000000, 0.0006259500000000, -0.0007250300000000 ] - [ 0.0004868000000000, 0.0015739500000000, -0.0002556100000000 ] - [ 0.0000103900000000, 0.0002977400000000, 0.0000757800000000 ] - [ -0.0000187300000000, 0.0001130600000000, 0.0000074600000000 ] - [ -0.0000534300000000, 0.0000916700000000, 0.0000181900000000 ] - [ -0.0037145200000000, -0.0013326300000000, 0.0033215100000000 ] - [ -0.0003357700000000, -0.0004032000000000, 0.0000619700000000 ] - [ -0.0001238200000000, -0.0000691500000000, 0.0002253700000000 ] - [ -0.0006355000000000, 0.0000745900000000, -0.0000679200000000 ] - [ -0.0002517800000000, 0.0018796800000000, -0.0001172400000000 ] - [ 0.0004352700000000, 0.0000504700000000, 0.0001226100000000 ] - [ 0.0003739400000000, -0.0000875400000000, 0.0000661400000000 ] - [ 0.0003837500000000, -0.0000950600000000, 0.0000063400000000 ] - [ 0.0029759000000000, 0.0025634800000000, -0.0015904000000000 ] - [ -0.0001786800000000, 0.0002497100000000, 0.0002673200000000 ] - [ 0.0000279000000000, 0.0001929800000000, 0.0005735000000000 ] - [ 0.0001485900000000, 0.0001577800000000, 0.0003612600000000 ] - [ -0.0004339800000000, 0.0005229400000000, -0.0012612000000000 ] - [ -0.0001211800000000, 0.0003360900000000, -0.0005198400000000 ] - [ -0.0004806000000000, -0.0007098700000000, -0.0002075500000000 ] - [ -0.0002823300000000, -0.0000138800000000, -0.0002213800000000 ] - [ -0.0027679300000000, 0.0031096700000000, -0.0024686500000000 ] - [ -0.0001131100000000, -0.0002151200000000, -0.0005354300000000 ] - [ -0.0001835000000000, -0.0000986200000000, -0.0002208600000000 ] - [ -0.0000352900000000, 0.0000588200000000, -0.0001610100000000 ] - [ 0.0003027800000000, 0.0003549400000000, -0.0006858900000000 ] - [ 0.0002720600000000, 0.0002104600000000, 0.0001594800000000 ] - [ 0.0000317300000000, 0.0001645500000000, 0.0004274300000000 ] - [ 0.0006206600000000, -0.0009243100000000, 0.0008194800000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000739600000000, -0.0000525000000000, -0.0008193000000000 ] - [ -0.0004777700000000, -0.0002823300000000, -0.0000948200000000 ] - [ -0.0005122500000000, -0.0008291100000000, -0.0002896700000000 ] - [ -0.0003715300000000, -0.0000857800000000, -0.0001343100000000 ] - [ -0.0009155800000000, -0.0039123800000000, -0.0001767600000000 ] - [ 0.0001010800000000, -0.0000198200000000, -0.0002069400000000 ] - [ 0.0001766900000000, -0.0000965600000000, -0.0001598900000000 ] - [ -0.0000261400000000, -0.0000316600000000, -0.0001360900000000 ] - [ -0.0002011700000000, 0.0001032200000000, 0.0000278000000000 ] - [ -0.0001521100000000, 0.0000595200000000, -0.0000534700000000 ] - [ -0.0005814500000000, -0.0003609000000000, -0.0000609600000000 ] - [ 0.0029929200000000, -0.0012507400000000, -0.0000492100000000 ] - [ 0.0026597700000000, 0.0023584000000000, -0.0065420800000000 ] - [ 0.0004277000000000, 0.0005649000000000, -0.0006211300000000 ] - [ 0.0005063000000000, -0.0000796400000000, 0.0000312100000000 ] - [ 0.0003281500000000, -0.0002634200000000, 0.0004373200000000 ] - [ 0.0027550100000000, 0.0840613100000000, 0.0146159100000000 ] - [ 0.0005864000000000, -0.0001368100000000, 0.0000644900000000 ] - [ 0.0004683600000000, -0.0004145100000000, 0.0002404900000000 ] - [ 0.0001435100000000, -0.0002126100000000, 0.0001304200000000 ] - [ -0.0008486500000000, -0.0009012000000000, -0.0004406000000000 ] - [ -0.0002876500000000, -0.0002905800000000, -0.0001305500000000 ] - [ -0.0003722200000000, 0.0000575900000000, 0.0000153200000000 ] - [ -0.0004236300000000, -0.0001450400000000, -0.0002116200000000 ] - [ -0.0000637500000000, -0.0003066700000000, 0.0001115400000000 ] - [ 0.0004015800000000, -0.0006855200000000, 0.0001732600000000 ] - [ 0.0002351900000000, -0.0001787800000000, 0.0002765800000000 ] - [ 0.0001818800000000, -0.0000917100000000, 0.0004073800000000 ] - [ -0.0047236900000000, -0.0004032700000000, -0.0012081200000000 ] - [ 0.0019969200000000, -0.0010888900000000, 0.0004613000000000 ] - [ -0.0002149600000000, 0.0000240300000000, 0.0000182300000000 ] - [ -0.0000693100000000, -0.0001839600000000, -0.0006135900000000 ] - [ 0.0023308200000000, -0.0067076900000000, 0.0057542400000000 ] - [ -0.0001266800000000, -0.0000037800000000, 0.0001860200000000 ] - [ -0.0002938200000000, 0.0002436900000000, -0.0001638600000000 ] - [ 0.0000211500000000, 0.0002504100000000, -0.0001739900000000 ] - [ -0.0001440800000000, 0.0007392100000000, 0.0008942200000000 ] - [ 0.0001662600000000, 0.0001677300000000, 0.0001027700000000 ] - [ -0.0000062300000000, 0.0002900800000000, 0.0001077500000000 ] - [ 0.0001955800000000, 0.0002408300000000, 0.0001361700000000 ] - [ 0.0000311600000000, 0.0004220700000000, 0.0002269300000000 ] - [ 0.0001392300000000, 0.0002915600000000, 0.0000452600000000 ] - [ 0.0002544800000000, 0.0004794500000000, -0.0000095700000000 ] - [ 0.0000411200000000, 0.0002326700000000, 0.0000171700000000 ] - [ -0.0053252600000000, -0.0087152400000000, 0.0065572400000000 ] - [ -0.0002487000000000, 0.0001005400000000, 0.0002149900000000 ] - [ -0.0000775300000000, 0.0002350400000000, -0.0000317200000000 ] - [ -0.0000893500000000, 0.0002616100000000, -0.0002077300000000 ] - [ 0.0006592300000000, 0.0005408000000000, -0.0001211000000000 ] - [ -0.0003263700000000, 0.0001820000000000, 0.0001068000000000 ] - [ 0.0000412200000000, 0.0002160000000000, -0.0000137200000000 ] - [ 0.0000415600000000, 0.0001841300000000, -0.0000051300000000 ] - [ 0.0002748100000000, -0.0002255500000000, 0.0006628500000000 ] - [ 0.0001275400000000, -0.0002572100000000, -0.0001041500000000 ] - [ 0.0001773100000000, -0.0008786200000000, 0.0001748700000000 ] - [ 0.0001048500000000, -0.0005358600000000, -0.0002176900000000 ] - [ 0.0008046300000000, 0.0004712000000000, 0.0001365000000000 ] - [ -0.0010468100000000, 0.0005232500000000, 0.0002330500000000 ] - [ -0.0001435900000000, 0.0001897200000000, 0.0000691800000000 ] - [ -0.0000182300000000, 0.0001591900000000, -0.0000039200000000 ] - [ 0.0000236300000000, 0.0040001900000000, 0.0012743900000000 ] - [ -0.0001632400000000, -0.0001525600000000, 0.0001112000000000 ] - [ -0.0001003400000000, -0.0000814500000000, 0.0000408400000000 ] - [ -0.0001256300000000, -0.0001209300000000, 0.0000496300000000 ] - [ 0.0005467900000000, -0.0010060900000000, 0.0006633800000000 ] - [ 0.0000755700000000, -0.0000985000000000, -0.0000551400000000 ] - [ 0.0004820600000000, -0.0000481000000000, 0.0002045900000000 ] - [ -0.0009538600000000, -0.0002816000000000, -0.0003832800000000 ] - [ -0.0000265900000000, 0.0007254800000000, -0.0004918500000000 ] - [ -0.0000423300000000, -0.0000825900000000, 0.0001546900000000 ] - [ -0.0000708800000000, -0.0001045000000000, 0.0003118500000000 ] - [ 0.0000445700000000, -0.0000764200000000, 0.0001493300000000 ] - [ 0.0002560900000000, 0.0002756800000000, 0.0001044500000000 ] - [ -0.0003357600000000, 0.0003900000000000, 0.0002007900000000 ] - [ -0.0000309100000000, -0.0000202200000000, 0.0000812000000000 ] - [ -0.0000434500000000, -0.0000055700000000, -0.0000843600000000 ] - [ 0.0006833400000000, -0.0008272600000000, -0.0002226600000000 ] - [ -0.0008228100000000, -0.0003487700000000, -0.0001301700000000 ] - [ -0.0003560200000000, -0.0002944900000000, -0.0000343400000000 ] - [ 0.0000346400000000, 0.0000116800000000, 0.0001143100000000 ] - [ 0.0001302000000000, 0.0002403800000000, 0.0002425800000000 ] - [ 0.0006246700000000, 0.0000762900000000, -0.0000502500000000 ] - [ 0.0008141500000000, 0.0003861200000000, -0.0006800600000000 ] - [ 0.0004170600000000, -0.0000495500000000, -0.0000598800000000 ] - [ -0.0001736700000000, -0.0000664200000000, 0.0007890300000000 ] - [ -0.0003577600000000, -0.0001032400000000, 0.0003119100000000 ] - [ -0.0005339700000000, -0.0000542700000000, 0.0001303200000000 ] - [ -0.0004514000000000, -0.0000977800000000, -0.0000496100000000 ] - [ -0.0001108600000000, 0.0004883400000000, -0.0000096000000000 ] - [ -0.0001674400000000, 0.0001561700000000, 0.0001339200000000 ] - [ -0.0001103000000000, 0.0000448900000000, 0.0001205000000000 ] - [ -0.0002325400000000, 0.0000169200000000, 0.0001577600000000 ] - [ -0.0013059800000000, -0.0636298800000000, -0.0237991800000000 ] - [ 0.0001786000000000, 0.0000561400000000, -0.0001741200000000 ] - [ 0.0002474800000000, 0.0000750500000000, -0.0001117700000000 ] - [ 0.0002187500000000, 0.0000438700000000, -0.0002442400000000 ] - [ 0.0030135400000000, -0.0005124000000000, 0.0021191100000000 ] - [ -0.0012934600000000, 0.0000076300000000, -0.0002528200000000 ] - [ 0.0002332800000000, -0.0001211600000000, 0.0000303400000000 ] - [ -0.0006897100000000, -0.0003635400000000, -0.0000106500000000 ] - [ -0.0003712700000000, -0.0003549300000000, -0.0001949100000000 ] - [ -0.0000222000000000, -0.0000799000000000, -0.0000588600000000 ] - [ 0.0002337700000000, -0.0001853700000000, -0.0001102600000000 ] - [ 0.0002937900000000, -0.0001402600000000, -0.0001856700000000 ] - [ 0.0005295300000000, 0.0002811100000000, 0.0003069200000000 ] - [ 0.0003581900000000, 0.0002641500000000, 0.0002881000000000 ] - [ 0.0003976600000000, 0.0002062000000000, 0.0002387400000000 ] - [ 0.0013447800000000, 0.0005879400000000, 0.0002347500000000 ] - [ -0.0023785500000000, 0.0002028600000000, 0.0004996700000000 ] - [ -0.0014436800000000, -0.0000338500000000, -0.0000896600000000 ] - [ -0.0001056200000000, 0.0000254900000000, -0.0005725800000000 ] - [ -0.0004901300000000, -0.0000197900000000, -0.0000936900000000 ] - [ -0.0029163100000000, 0.0020101700000000, -0.0023984000000000 ] - [ 0.0000910100000000, 0.0005014500000000, -0.0002534800000000 ] - [ 0.0001167300000000, 0.0001580700000000, -0.0003400600000000 ] - [ -0.0000132800000000, -0.0003896100000000, 0.0007375600000000 ] - [ -0.0005188100000000, -0.0013360300000000, 0.0002196200000000 ] - [ -0.0000510700000000, -0.0000720500000000, -0.0001018600000000 ] - [ -0.0000247600000000, 0.0001175100000000, -0.0000320300000000 ] - [ 0.0000088200000000, 0.0001388500000000, -0.0000425500000000 ] - [ 0.0029878000000000, 0.0011060000000000, -0.0033866500000000 ] - [ -0.0004214100000000, 0.0001827100000000, -0.0000935100000000 ] - [ -0.0006380900000000, -0.0001460900000000, -0.0002770600000000 ] - [ -0.0001231800000000, -0.0002983600000000, 0.0000341000000000 ] - [ 0.0009852200000000, -0.0021286500000000, 0.0001317100000000 ] - [ 0.0003244400000000, -0.0002780600000000, -0.0000922900000000 ] - [ 0.0003820800000000, -0.0001394500000000, -0.0000377700000000 ] - [ 0.0003732600000000, -0.0001313700000000, 0.0000248700000000 ] - [ -0.0028312500000000, -0.0021730800000000, 0.0023840200000000 ] - [ 0.0003652200000000, 0.0001475800000000, 0.0004976200000000 ] - [ 0.0001570500000000, 0.0002040000000000, 0.0001831900000000 ] - [ 0.0000363400000000, 0.0002387900000000, 0.0003987400000000 ] - [ 0.0002501400000000, -0.0001211900000000, 0.0004983500000000 ] - [ -0.0000604000000000, 0.0000595200000000, -0.0002343400000000 ] - [ 0.0002827600000000, 0.0010861600000000, -0.0005510000000000 ] - [ 0.0000985200000000, 0.0004077500000000, -0.0005383100000000 ] - [ 0.0025574000000000, -0.0030953800000000, 0.0019458900000000 ] - [ -0.0001279600000000, 0.0002607000000000, -0.0000104900000000 ] - [ -0.0000561300000000, 0.0001403300000000, -0.0003311200000000 ] - [ -0.0002081600000000, -0.0000181000000000, -0.0003912700000000 ] - [ -0.0000689600000000, -0.0003152400000000, 0.0012545600000000 ] - [ -0.0000278300000000, -0.0001658700000000, 0.0003912600000000 ] - [ 0.0002129800000000, -0.0001297400000000, 0.0001200200000000 ] - [ -0.0003718500000000, 0.0009556800000000, -0.0002596000000000 ]- atom: 17 displacement: [ -0.0045549923526468, 0.0000000000000000, 0.0089023617466001 ] forces: - [ -0.0004317700000000, -0.0002120100000000, -0.0000481700000000 ] - [ -0.0007073200000000, 0.0002226000000000, -0.0002034000000000 ] - [ -0.0003437800000000, -0.0002999000000000, -0.0002816900000000 ] - [ -0.0003314000000000, -0.0002029500000000, -0.0000510300000000 ] - [ -0.0002369300000000, 0.0019726400000000, 0.0006504000000000 ] - [ -0.0001148100000000, -0.0000498800000000, -0.0002561500000000 ] - [ -0.0000961500000000, -0.0001780100000000, 0.0000423100000000 ] - [ 0.0004298700000000, 0.0000593100000000, -0.0004249000000000 ] - [ 0.0002664100000000, 0.0003791500000000, 0.0009276400000000 ] - [ -0.0002983200000000, -0.0000255200000000, -0.0001618800000000 ] - [ -0.0048712500000000, -0.0010743900000000, 0.0010848200000000 ] - [ 0.0041910300000000, -0.0001476700000000, -0.0004841700000000 ] - [ -0.0081013900000000, 0.0072689000000000, -0.0127025800000000 ] - [ -0.0003695900000000, 0.0008116400000000, -0.0016117100000000 ] - [ 0.0001984600000000, -0.0004002400000000, 0.0007237400000000 ] - [ 0.0004643000000000, -0.0001684300000000, 0.0005651200000000 ] - [ 0.0298752400000000, -0.0111528600000000, -0.0549112400000000 ] - [ -0.0005683500000000, -0.0000956600000000, 0.0001064400000000 ] - [ 0.0001512400000000, -0.0003051900000000, 0.0003936900000000 ] - [ 0.0005821600000000, -0.0003560400000000, 0.0003239500000000 ] - [ -0.0003095700000000, -0.0003082100000000, 0.0000918700000000 ] - [ -0.0008015900000000, -0.0002884400000000, 0.0000702100000000 ] - [ -0.0003942000000000, -0.0001221300000000, -0.0000205100000000 ] - [ -0.0002614400000000, -0.0003002300000000, -0.0001238100000000 ] - [ 0.0010339400000000, -0.0005098500000000, -0.0000107100000000 ] - [ 0.0000491600000000, 0.0000929500000000, 0.0005802700000000 ] - [ 0.0000604400000000, -0.0002003400000000, 0.0003265300000000 ] - [ 0.0002511200000000, -0.0002143700000000, 0.0003870500000000 ] - [ -0.0103518800000000, 0.0006277400000000, -0.0003162600000000 ] - [ 0.0009975000000000, -0.0020578100000000, 0.0003624100000000 ] - [ -0.0007867000000000, 0.0002870300000000, 0.0001392300000000 ] - [ -0.0000788500000000, -0.0000676200000000, -0.0003999100000000 ] - [ 0.0013245800000000, -0.0021280500000000, 0.0121178600000000 ] - [ 0.0003802400000000, -0.0001309100000000, 0.0003912200000000 ] - [ 0.0001345300000000, 0.0003524400000000, -0.0004837600000000 ] - [ -0.0002901900000000, 0.0002974900000000, -0.0003167200000000 ] - [ -0.0002444500000000, 0.0003247600000000, 0.0000959000000000 ] - [ 0.0003406700000000, 0.0001754600000000, 0.0000479500000000 ] - [ 0.0000716600000000, 0.0002009300000000, 0.0000752800000000 ] - [ 0.0000516500000000, 0.0002371200000000, 0.0000085700000000 ] - [ 0.0000418100000000, 0.0003517900000000, -0.0001157800000000 ] - [ 0.0004445400000000, 0.0002450200000000, 0.0000684300000000 ] - [ 0.0001379700000000, 0.0000678700000000, 0.0000543800000000 ] - [ 0.0000730000000000, 0.0003130000000000, 0.0000404300000000 ] - [ -0.0197018600000000, -0.0094243200000000, 0.0267994600000000 ] - [ 0.0003699800000000, -0.0000847100000000, 0.0005492400000000 ] - [ -0.0000681100000000, 0.0003203500000000, -0.0003932100000000 ] - [ -0.0000335800000000, 0.0001784500000000, -0.0002330600000000 ] - [ 0.0023899800000000, 0.0013359400000000, -0.0004221700000000 ] - [ -0.0002707200000000, -0.0011496000000000, 0.0014895500000000 ] - [ -0.0000413600000000, 0.0001089700000000, -0.0002055800000000 ] - [ 0.0000969900000000, 0.0001951000000000, -0.0001675600000000 ] - [ -0.0000723600000000, -0.0001982100000000, -0.0004541100000000 ] - [ 0.0002525200000000, -0.0001970600000000, -0.0001655400000000 ] - [ 0.0008888900000000, -0.0000793500000000, 0.0001633300000000 ] - [ -0.0002196300000000, 0.0001781700000000, 0.0001711700000000 ] - [ -0.0005197300000000, 0.0006766800000000, 0.0003854600000000 ] - [ 0.0003622600000000, -0.0002781600000000, -0.0000034500000000 ] - [ -0.0000696700000000, 0.0001601300000000, -0.0001354200000000 ] - [ -0.0001183700000000, 0.0002720200000000, -0.0001162000000000 ] - [ 0.0002773100000000, -0.0017645100000000, -0.0009926300000000 ] - [ 0.0000847400000000, -0.0002210300000000, 0.0001568600000000 ] - [ 0.0001045300000000, -0.0000528400000000, -0.0002678400000000 ] - [ -0.0002568500000000, -0.0002952900000000, 0.0001654300000000 ] - [ 0.0001078300000000, -0.0001244300000000, -0.0002650900000000 ] - [ 0.0001203200000000, -0.0000201000000000, -0.0001025700000000 ] - [ 0.0018246600000000, -0.0001277400000000, -0.0003673700000000 ] - [ -0.0005102100000000, -0.0003044600000000, -0.0000979600000000 ] - [ -0.0000277600000000, -0.0009742900000000, 0.0012824700000000 ] - [ 0.0001298800000000, -0.0000993400000000, 0.0001082600000000 ] - [ 0.0001090500000000, -0.0000690400000000, -0.0000315800000000 ] - [ -0.0000941200000000, -0.0001010300000000, 0.0001658200000000 ] - [ -0.0001080500000000, 0.0000237600000000, 0.0000004300000000 ] - [ 0.0002481400000000, 0.0000373200000000, 0.0000898600000000 ] - [ -0.0000771000000000, -0.0000002100000000, -0.0001225200000000 ] - [ -0.0000468800000000, -0.0000059600000000, -0.0000662400000000 ] - [ 0.0010087200000000, -0.0005176100000000, -0.0001947700000000 ] - [ 0.0001147400000000, 0.0003380900000000, 0.0008800200000000 ] - [ -0.0001665100000000, -0.0003739200000000, -0.0003890500000000 ] - [ -0.0000795800000000, 0.0000689500000000, 0.0001406900000000 ] - [ 0.0006570500000000, -0.0001636400000000, -0.0003118300000000 ] - [ 0.0003709500000000, -0.0004119300000000, 0.0000518800000000 ] - [ 0.0003564400000000, 0.0004416300000000, -0.0000715000000000 ] - [ 0.0004917700000000, -0.0000319800000000, -0.0000611700000000 ] - [ 0.0000089500000000, -0.0010538300000000, 0.0010444400000000 ] - [ -0.0002465200000000, -0.0001403400000000, 0.0006765000000000 ] - [ -0.0006047300000000, -0.0001097400000000, -0.0002759200000000 ] - [ -0.0003806600000000, -0.0000982500000000, -0.0000922200000000 ] - [ -0.0003931700000000, 0.0003511700000000, 0.0000475100000000 ] - [ 0.0000660900000000, 0.0001384100000000, 0.0001430100000000 ] - [ -0.0000347000000000, -0.0000768000000000, -0.0000550500000000 ] - [ -0.0002550100000000, 0.0000368100000000, 0.0001940300000000 ] - [ -0.0033912100000000, 0.0195904800000000, 0.0175985700000000 ] - [ 0.0004493600000000, 0.0000515600000000, -0.0001605400000000 ] - [ 0.0003446300000000, 0.0000348300000000, -0.0003909700000000 ] - [ 0.0001598000000000, 0.0000445200000000, -0.0002344100000000 ] - [ 0.0071254900000000, -0.0009274200000000, 0.0017549800000000 ] - [ 0.0010014100000000, 0.0003207600000000, -0.0000863500000000 ] - [ 0.0002001100000000, -0.0001070700000000, -0.0000456300000000 ] - [ -0.0005358500000000, -0.0003475300000000, -0.0000779600000000 ] - [ -0.0004912100000000, -0.0005646700000000, -0.0001310300000000 ] - [ 0.0006877800000000, -0.0002405600000000, -0.0001047200000000 ] - [ 0.0003140700000000, -0.0001525500000000, -0.0002316700000000 ] - [ 0.0002450700000000, -0.0001430300000000, -0.0002032100000000 ] - [ 0.0001080300000000, 0.0001130200000000, 0.0002266000000000 ] - [ 0.0006762900000000, 0.0002614600000000, 0.0001628200000000 ] - [ 0.0006799200000000, 0.0000255700000000, 0.0003105400000000 ] - [ -0.0001442000000000, -0.0000969800000000, 0.0003569200000000 ] - [ -0.0035420500000000, -0.0003316900000000, 0.0037141400000000 ] - [ 0.0011798300000000, 0.0001307200000000, -0.0007843600000000 ] - [ 0.0002794100000000, 0.0000079500000000, -0.0005721400000000 ] - [ -0.0014852500000000, 0.0003141000000000, -0.0006052100000000 ] - [ 0.0014456400000000, 0.0002385400000000, 0.0014331900000000 ] - [ -0.0005605500000000, 0.0003685700000000, 0.0000101900000000 ] - [ -0.0001863200000000, 0.0000493800000000, 0.0001651800000000 ] - [ -0.0000317600000000, -0.0001176800000000, 0.0004837600000000 ] - [ 0.0001704700000000, -0.0018700500000000, -0.0014799700000000 ] - [ -0.0006594200000000, 0.0005998700000000, -0.0000805300000000 ] - [ -0.0001742900000000, 0.0001756200000000, 0.0002746100000000 ] - [ 0.0001128000000000, 0.0001381400000000, 0.0000759100000000 ] - [ -0.0011540100000000, 0.0020119800000000, 0.0022327300000000 ] - [ -0.0006238100000000, -0.0003920800000000, -0.0000420500000000 ] - [ -0.0004042600000000, -0.0008127500000000, 0.0016070300000000 ] - [ -0.0002579100000000, -0.0001585900000000, -0.0000096300000000 ] - [ 0.0010065000000000, -0.0002618700000000, -0.0004935300000000 ] - [ -0.0003224400000000, -0.0002111800000000, -0.0005105400000000 ] - [ 0.0003658900000000, -0.0001578500000000, 0.0002528100000000 ] - [ 0.0004429100000000, -0.0001076000000000, 0.0000522200000000 ] - [ 0.0014686900000000, -0.0019731600000000, -0.0017181400000000 ] - [ -0.0000394000000000, 0.0002145600000000, 0.0000141800000000 ] - [ 0.0000902200000000, 0.0001716200000000, 0.0006878400000000 ] - [ 0.0000765900000000, 0.0001887600000000, 0.0003821500000000 ] - [ 0.0002453800000000, -0.0003216700000000, 0.0019726100000000 ] - [ -0.0004987700000000, 0.0002640100000000, -0.0008391400000000 ] - [ -0.0002189500000000, 0.0027331300000000, 0.0017077000000000 ] - [ -0.0000621500000000, 0.0003181300000000, -0.0006008200000000 ] - [ -0.0014458600000000, 0.0004125600000000, -0.0019768200000000 ] - [ -0.0003605500000000, -0.0000220100000000, -0.0004644200000000 ] - [ -0.0003390800000000, 0.0000402000000000, -0.0000609300000000 ] - [ 0.0000681200000000, 0.0000782500000000, -0.0001874100000000 ] - [ 0.0007607700000000, 0.0001660400000000, -0.0000937100000000 ] - [ -0.0006029400000000, -0.0000162500000000, 0.0006421900000000 ] - [ -0.0002976200000000, 0.0002122700000000, 0.0004608000000000 ] - [ 0.0005185500000000, 0.0004543500000000, 0.0002110300000000 ]- atom: 17 displacement: [ 0.0045549923526468, 0.0000000000000000, -0.0089023617466001 ] forces: - [ -0.0003583300000000, 0.0000217500000000, -0.0002482300000000 ] - [ -0.0000783200000000, -0.0004089800000000, -0.0000940200000000 ] - [ -0.0004328600000000, 0.0001072600000000, -0.0000290800000000 ] - [ -0.0004546700000000, 0.0000145100000000, -0.0002473200000000 ] - [ 0.0003917700000000, -0.0019431700000000, -0.0010089500000000 ] - [ 0.0002795000000000, 0.0000623100000000, -0.0001159900000000 ] - [ 0.0002579000000000, 0.0001910100000000, -0.0004150200000000 ] - [ -0.0002671300000000, -0.0000465700000000, 0.0000521300000000 ] - [ -0.0004242100000000, -0.0003714100000000, -0.0005536800000000 ] - [ 0.0001373400000000, 0.0000322200000000, 0.0005299300000000 ] - [ 0.0047187200000000, 0.0010889700000000, -0.0007125600000000 ] - [ -0.0043611200000000, 0.0001479000000000, 0.0008848800000000 ] - [ 0.0088610300000000, -0.0073994000000000, 0.0129082800000000 ] - [ 0.0011606900000000, -0.0010119200000000, 0.0019330000000000 ] - [ 0.0005873300000000, 0.0002144600000000, -0.0004318100000000 ] - [ 0.0003223100000000, -0.0000182600000000, -0.0002733500000000 ] - [ -0.0279680500000000, 0.0113380800000000, 0.0542526800000000 ] - [ 0.0012322600000000, -0.0003414600000000, 0.0000343200000000 ] - [ 0.0005023100000000, -0.0001280500000000, -0.0002600200000000 ] - [ 0.0000717700000000, -0.0000783000000000, -0.0001851700000000 ] - [ -0.0003395200000000, -0.0001286100000000, -0.0002326300000000 ] - [ 0.0001490900000000, -0.0001474300000000, -0.0002139200000000 ] - [ -0.0002550300000000, -0.0003143600000000, -0.0001189300000000 ] - [ -0.0003933600000000, -0.0001374700000000, -0.0000196500000000 ] - [ -0.0006152700000000, 0.0001957300000000, 0.0006650700000000 ] - [ 0.0003617900000000, -0.0003961500000000, 0.0000780800000000 ] - [ 0.0003528700000000, -0.0001028400000000, 0.0003324900000000 ] - [ 0.0001608100000000, -0.0000875000000000, 0.0002711100000000 ] - [ 0.0100737900000000, -0.0009398700000000, -0.0003894100000000 ] - [ -0.0013594600000000, 0.0017284600000000, -0.0010223700000000 ] - [ 0.0003759600000000, -0.0005917600000000, -0.0008045200000000 ] - [ -0.0003326500000000, -0.0002370700000000, -0.0002619900000000 ] - [ -0.0016600600000000, 0.0025539900000000, -0.0123405000000000 ] - [ -0.0006133400000000, 0.0005123600000000, -0.0005577200000000 ] - [ -0.0003655100000000, 0.0000221800000000, 0.0003286300000000 ] - [ 0.0000567500000000, 0.0000780700000000, 0.0001601000000000 ] - [ 0.0004843100000000, 0.0000524700000000, 0.0000521200000000 ] - [ -0.0001091600000000, 0.0001999900000000, 0.0001069800000000 ] - [ 0.0001535000000000, 0.0001762100000000, 0.0000841900000000 ] - [ 0.0001825300000000, 0.0001388000000000, 0.0001481300000000 ] - [ 0.0001511700000000, 0.0000955500000000, 0.0001398400000000 ] - [ -0.0002525600000000, 0.0002036300000000, -0.0000436700000000 ] - [ 0.0000541300000000, 0.0003791100000000, -0.0000309100000000 ] - [ 0.0001186200000000, 0.0001341100000000, -0.0000171600000000 ] - [ 0.0182279100000000, 0.0095356400000000, -0.0256164900000000 ] - [ -0.0005720100000000, 0.0005357100000000, -0.0005808500000000 ] - [ -0.0001231600000000, 0.0001264800000000, 0.0003740900000000 ] - [ -0.0001551300000000, 0.0002684900000000, 0.0002091200000000 ] - [ -0.0022368500000000, -0.0009996600000000, 0.0003951500000000 ] - [ 0.0004307000000000, 0.0014831000000000, -0.0015013300000000 ] - [ 0.0002105800000000, 0.0002278900000000, 0.0001795800000000 ] - [ 0.0000727500000000, 0.0001421800000000, 0.0001419000000000 ] - [ 0.0003186300000000, -0.0001961300000000, 0.0002795900000000 ] - [ -0.0000089200000000, -0.0001978500000000, -0.0000061100000000 ] - [ -0.0006487100000000, -0.0003201200000000, -0.0003358800000000 ] - [ 0.0004773100000000, -0.0005814600000000, -0.0003441800000000 ] - [ 0.0003463300000000, -0.0003290900000000, -0.0003575500000000 ] - [ -0.0005303000000000, 0.0006175100000000, 0.0000269500000000 ] - [ -0.0001001200000000, 0.0001780200000000, 0.0001615800000000 ] - [ -0.0000510700000000, 0.0000659200000000, 0.0001445100000000 ] - [ -0.0005138100000000, 0.0013353500000000, 0.0011446100000000 ] - [ -0.0003290300000000, -0.0001749400000000, 0.0000118000000000 ] - [ -0.0003487400000000, -0.0003453000000000, 0.0004404300000000 ] - [ 0.0000122600000000, -0.0000999100000000, 0.0000067400000000 ] - [ -0.0001007800000000, -0.0000938800000000, -0.0000374600000000 ] - [ -0.0001120300000000, -0.0001952100000000, -0.0001886300000000 ] - [ -0.0018397800000000, -0.0000881200000000, 0.0000754000000000 ] - [ 0.0005309600000000, 0.0000902500000000, -0.0001971300000000 ] - [ 0.0000218800000000, 0.0007571400000000, -0.0009859900000000 ] - [ -0.0001396300000000, -0.0001216400000000, 0.0001848600000000 ] - [ -0.0001180700000000, -0.0001511000000000, 0.0003267700000000 ] - [ 0.0000839700000000, -0.0001182700000000, 0.0001298800000000 ] - [ 0.0000420400000000, -0.0000656900000000, -0.0000295700000000 ] - [ -0.0003134300000000, -0.0000848500000000, -0.0001204400000000 ] - [ 0.0000115400000000, -0.0000450200000000, 0.0000953300000000 ] - [ -0.0000181700000000, -0.0000388000000000, 0.0000404100000000 ] - [ -0.0009403200000000, 0.0004753000000000, 0.0002224800000000 ] - [ -0.0000590800000000, -0.0003851400000000, -0.0008471600000000 ] - [ 0.0002380000000000, 0.0003334000000000, 0.0004149400000000 ] - [ 0.0001499400000000, -0.0001141700000000, -0.0001160500000000 ] - [ 0.0002928400000000, 0.0000389600000000, 0.0001765900000000 ] - [ 0.0005795100000000, 0.0002817700000000, -0.0001885700000000 ] - [ 0.0005932600000000, -0.0005663100000000, -0.0000652300000000 ] - [ 0.0004594700000000, -0.0000950000000000, -0.0000764100000000 ] - [ -0.0009666200000000, 0.0009186300000000, -0.0009064000000000 ] - [ -0.0007045700000000, 0.0000148800000000, -0.0005466300000000 ] - [ -0.0003444400000000, -0.0000171800000000, 0.0004137800000000 ] - [ -0.0005698800000000, -0.0000280100000000, 0.0002289800000000 ] - [ -0.0000491700000000, -0.0001940000000000, 0.0002374800000000 ] - [ -0.0005142400000000, 0.0000209500000000, 0.0001418600000000 ] - [ -0.0004100500000000, 0.0002378700000000, 0.0003386000000000 ] - [ -0.0001889800000000, 0.0001261300000000, 0.0000897300000000 ] - [ 0.0038102000000000, -0.0197726300000000, -0.0179559000000000 ] - [ -0.0000042700000000, 0.0001127000000000, -0.0001242900000000 ] - [ 0.0001011900000000, 0.0001288500000000, 0.0001100300000000 ] - [ 0.0002873900000000, 0.0001185200000000, -0.0000481600000000 ] - [ -0.0076765800000000, 0.0005759300000000, -0.0015643900000000 ] - [ -0.0015202900000000, -0.0007126600000000, 0.0003542300000000 ] - [ -0.0007261100000000, -0.0002861700000000, 0.0003147500000000 ] - [ 0.0000137800000000, -0.0000448800000000, 0.0003468900000000 ] - [ 0.0010043100000000, 0.0001741500000000, -0.0001347500000000 ] - [ -0.0001621500000000, -0.0001529100000000, -0.0001651700000000 ] - [ 0.0002097200000000, -0.0002412000000000, -0.0000368200000000 ] - [ 0.0002805300000000, -0.0002514400000000, -0.0000645300000000 ] - [ 0.0007018900000000, 0.0002197300000000, 0.0003523800000000 ] - [ 0.0001353600000000, 0.0000698100000000, 0.0004170000000000 ] - [ 0.0001281900000000, 0.0003066100000000, 0.0002665900000000 ] - [ 0.0009577000000000, 0.0004252000000000, 0.0002189400000000 ] - [ 0.0027685600000000, 0.0006628600000000, -0.0042953500000000 ] - [ -0.0020195100000000, 0.0001993500000000, 0.0002142600000000 ] - [ -0.0010865100000000, 0.0003259500000000, -0.0000037800000000 ] - [ 0.0006722600000000, 0.0000198200000000, 0.0000262900000000 ] - [ -0.0013899300000000, 0.0000007100000000, -0.0013901600000000 ] - [ 0.0006069300000000, -0.0001427700000000, 0.0000123200000000 ] - [ 0.0002332500000000, 0.0001817200000000, -0.0001453600000000 ] - [ 0.0000771900000000, 0.0003507200000000, -0.0004696500000000 ] - [ -0.0002178700000000, 0.0021220100000000, 0.0014745900000000 ] - [ 0.0006138000000000, -0.0003655600000000, 0.0000570400000000 ] - [ 0.0001308400000000, 0.0000539400000000, -0.0003012900000000 ] - [ -0.0001565800000000, 0.0000910400000000, -0.0001014200000000 ] - [ 0.0003876100000000, -0.0022692000000000, -0.0022650600000000 ] - [ -0.0001302600000000, 0.0001632300000000, 0.0000111400000000 ] - [ -0.0003548100000000, 0.0005920400000000, -0.0016526600000000 ] - [ -0.0005005500000000, -0.0000684400000000, -0.0000216200000000 ] - [ -0.0002451700000000, 0.0000172900000000, 0.0005142900000000 ] - [ 0.0010845600000000, -0.0000130000000000, 0.0005441400000000 ] - [ 0.0003912000000000, -0.0000689400000000, -0.0002257800000000 ] - [ 0.0003131500000000, -0.0001194100000000, -0.0000251600000000 ] - [ -0.0012848100000000, 0.0023734200000000, 0.0024802500000000 ] - [ 0.0002213000000000, 0.0001805400000000, 0.0007486300000000 ] - [ 0.0000931400000000, 0.0002244900000000, 0.0000698800000000 ] - [ 0.0001072300000000, 0.0002072400000000, 0.0003752200000000 ] - [ -0.0004297800000000, 0.0007214000000000, -0.0027575700000000 ] - [ 0.0003149100000000, 0.0001315400000000, 0.0000716300000000 ] - [ 0.0000283100000000, -0.0023457800000000, -0.0024600900000000 ] - [ -0.0001215000000000, 0.0000781200000000, -0.0001571000000000 ] - [ 0.0011971700000000, -0.0003600000000000, 0.0014234200000000 ] - [ 0.0001239400000000, 0.0000656700000000, -0.0000816800000000 ] - [ 0.0001006600000000, -0.0000005300000000, -0.0004905000000000 ] - [ -0.0003064000000000, -0.0000377000000000, -0.0003624900000000 ] - [ -0.0005191700000000, -0.0001302800000000, 0.0006558200000000 ] - [ 0.0008459200000000, 0.0000584400000000, -0.0000990200000000 ] - [ 0.0005400600000000, -0.0001745800000000, 0.0000877000000000 ] - [ -0.0002804600000000, -0.0004182200000000, 0.0003339000000000 ]- atom: 25 displacement: [ 0.0099999730884809, 0.0000000000000000, -0.0000231997770880 ] forces: - [ 0.0017498000000000, 0.0006787600000000, 0.0008798800000000 ] - [ 0.0048670700000000, 0.0027049600000000, 0.0084095500000000 ] - [ -0.0012330200000000, -0.0011377100000000, -0.0002832400000000 ] - [ -0.0004820700000000, -0.0000879900000000, -0.0004598300000000 ] - [ -0.0001461700000000, -0.0004231200000000, 0.0004136800000000 ] - [ -0.0002230100000000, 0.0002330800000000, -0.0005168500000000 ] - [ 0.0010704100000000, -0.0001078200000000, -0.0004418600000000 ] - [ -0.0016908100000000, 0.0001700700000000, 0.0001343400000000 ] - [ -0.0006224400000000, 0.0005199400000000, -0.0001724100000000 ] - [ 0.0001709400000000, -0.0001580900000000, 0.0002845100000000 ] - [ 0.0001685400000000, -0.0000993300000000, -0.0004086700000000 ] - [ 0.0000636900000000, -0.0000005800000000, 0.0001926100000000 ] - [ -0.0015189800000000, -0.0013028000000000, 0.0000077400000000 ] - [ 0.0006980900000000, -0.0001509300000000, 0.0002999600000000 ] - [ 0.0006015500000000, -0.0000468000000000, -0.0002360800000000 ] - [ 0.0003383200000000, -0.0001626800000000, 0.0003209600000000 ] - [ -0.0009214600000000, 0.0000489600000000, 0.0003681700000000 ] - [ 0.0005156800000000, -0.0004102800000000, -0.0000081300000000 ] - [ 0.0005752000000000, -0.0002457100000000, 0.0000349900000000 ] - [ 0.0000565400000000, -0.0001921600000000, -0.0000170300000000 ] - [ 0.0076369100000000, -0.0047263200000000, -0.0074500800000000 ] - [ 0.0022094500000000, 0.0019443700000000, 0.0025431600000000 ] - [ 0.0000671100000000, -0.0002271100000000, -0.0005241400000000 ] - [ 0.0000628600000000, -0.0000789500000000, 0.0002717200000000 ] - [ -0.1021257900000000, -0.0040093100000000, 0.0000630500000000 ] - [ 0.0006005400000000, -0.0003076900000000, 0.0004198800000000 ] - [ 0.0002917200000000, -0.0000753600000000, 0.0002018400000000 ] - [ 0.0000517500000000, -0.0000658400000000, 0.0005814700000000 ] - [ -0.0000132200000000, -0.0001186000000000, -0.0003467800000000 ] - [ 0.0001961500000000, -0.0005224600000000, 0.0000276400000000 ] - [ -0.0001086600000000, -0.0001622300000000, -0.0002609700000000 ] - [ -0.0003081400000000, -0.0001981400000000, -0.0004498300000000 ] - [ 0.0007953100000000, 0.0003287300000000, -0.0003352700000000 ] - [ -0.0003501200000000, 0.0002385100000000, -0.0001192800000000 ] - [ -0.0003007900000000, 0.0001569800000000, 0.0000428500000000 ] - [ 0.0000469800000000, 0.0001698400000000, -0.0000810000000000 ] - [ 0.0005706600000000, 0.0003367100000000, 0.0006496100000000 ] - [ 0.0008643000000000, -0.0008034700000000, -0.0002518100000000 ] - [ 0.0001648900000000, 0.0002531700000000, 0.0002541100000000 ] - [ -0.0001329600000000, 0.0001474400000000, 0.0000764600000000 ] - [ -0.0048920600000000, 0.0011529000000000, 0.0027665500000000 ] - [ 0.0012743700000000, 0.0002116500000000, -0.0015519100000000 ] - [ 0.0012548500000000, 0.0011917200000000, 0.0007781200000000 ] - [ 0.0001770400000000, 0.0002371000000000, 0.0000926500000000 ] - [ 0.0008882800000000, 0.0000689400000000, -0.0000979900000000 ] - [ -0.0003478400000000, 0.0002627300000000, -0.0000324300000000 ] - [ -0.0001410100000000, 0.0001815900000000, 0.0001657200000000 ] - [ -0.0001338300000000, 0.0002768400000000, -0.0000831100000000 ] - [ -0.0001679100000000, 0.0002438800000000, -0.0001039400000000 ] - [ 0.0003678500000000, 0.0001355500000000, -0.0001937600000000 ] - [ 0.0000953600000000, 0.0002311000000000, -0.0000730800000000 ] - [ 0.0001103700000000, 0.0001955200000000, 0.0000979100000000 ] - [ 0.0001922500000000, -0.0007828800000000, 0.0006425500000000 ] - [ -0.0000727600000000, 0.0000229100000000, -0.0002388200000000 ] - [ 0.0003655100000000, 0.0000566200000000, 0.0002113000000000 ] - [ 0.0000536400000000, -0.0002491200000000, -0.0001738700000000 ] - [ 0.0094403000000000, -0.0005657100000000, 0.0000109500000000 ] - [ -0.0003481300000000, 0.0000644900000000, -0.0001989900000000 ] - [ -0.0000121400000000, 0.0001336000000000, 0.0001449900000000 ] - [ -0.0001515100000000, 0.0004288500000000, 0.0001638800000000 ] - [ -0.0001917000000000, -0.0000526200000000, -0.0002051100000000 ] - [ -0.0003268400000000, -0.0003589900000000, 0.0001387900000000 ] - [ -0.0005280400000000, -0.0002042300000000, 0.0002474400000000 ] - [ 0.0002754000000000, -0.0004426600000000, -0.0001910000000000 ] - [ -0.0000973500000000, -0.0003279100000000, 0.0000035300000000 ] - [ -0.0002538500000000, 0.0000388300000000, -0.0002292300000000 ] - [ -0.0000521800000000, -0.0000582100000000, 0.0000506500000000 ] - [ -0.0000503900000000, -0.0001079100000000, -0.0001964600000000 ] - [ 0.0009267700000000, -0.0001642500000000, 0.0002280800000000 ] - [ -0.0001769200000000, -0.0002973600000000, 0.0004949000000000 ] - [ -0.0005656800000000, -0.0000368500000000, 0.0002151100000000 ] - [ 0.0004472900000000, -0.0002676700000000, -0.0003067800000000 ] - [ 0.0076230200000000, 0.0016733500000000, -0.0034138600000000 ] - [ -0.0003480300000000, -0.0000134600000000, -0.0001555200000000 ] - [ 0.0000756500000000, -0.0000309500000000, 0.0001123600000000 ] - [ -0.0000317400000000, 0.0000587900000000, -0.0003494100000000 ] - [ -0.0001508200000000, -0.0000067100000000, -0.0000581200000000 ] - [ 0.0005297400000000, -0.0001113600000000, -0.0002085900000000 ] - [ 0.0000276100000000, 0.0000004100000000, -0.0000253700000000 ] - [ 0.0000631000000000, -0.0000201500000000, 0.0001061900000000 ] - [ 0.0001274500000000, -0.0002838600000000, -0.0000565000000000 ] - [ 0.0009807300000000, 0.0004194600000000, -0.0014183900000000 ] - [ 0.0005007600000000, -0.0000814500000000, -0.0003149600000000 ] - [ 0.0003545900000000, -0.0001129500000000, 0.0001264800000000 ] - [ -0.0000420800000000, 0.0011164500000000, 0.0004654800000000 ] - [ -0.0006030600000000, -0.0000541700000000, -0.0000023600000000 ] - [ -0.0004462000000000, 0.0000435800000000, 0.0002963800000000 ] - [ -0.0004827400000000, -0.0000896600000000, -0.0000060200000000 ] - [ -0.0008441700000000, 0.0016549000000000, 0.0003116100000000 ] - [ -0.0004735700000000, -0.0003864400000000, 0.0002319400000000 ] - [ -0.0003618500000000, 0.0000992500000000, 0.0003023000000000 ] - [ -0.0002317600000000, 0.0001028500000000, -0.0000014200000000 ] - [ 0.0003711400000000, -0.0006616300000000, -0.0006562500000000 ] - [ 0.0000687500000000, 0.0003443300000000, -0.0000430400000000 ] - [ 0.0001151800000000, 0.0000703700000000, -0.0000223300000000 ] - [ 0.0003077000000000, 0.0000986600000000, -0.0002135400000000 ] - [ -0.0004876200000000, -0.0000519300000000, 0.0000922800000000 ] - [ -0.0001182500000000, -0.0002361700000000, 0.0000470900000000 ] - [ -0.0003230400000000, -0.0001914900000000, 0.0001655600000000 ] - [ -0.0001799700000000, -0.0001795700000000, 0.0001481400000000 ] - [ 0.0710820900000000, -0.0025225900000000, -0.0028885600000000 ] - [ -0.0001627500000000, -0.0001507400000000, -0.0001005500000000 ] - [ 0.0001485000000000, -0.0002447700000000, 0.0000996600000000 ] - [ 0.0005071600000000, -0.0002493300000000, -0.0001610900000000 ] - [ 0.0013472100000000, 0.0001412400000000, 0.0003812800000000 ] - [ -0.0013209900000000, 0.0000681500000000, 0.0005087100000000 ] - [ 0.0015624100000000, 0.0012126900000000, -0.0015464200000000 ] - [ -0.0001357200000000, 0.0002801000000000, -0.0001763700000000 ] - [ -0.0005066600000000, 0.0001315700000000, -0.0003903000000000 ] - [ -0.0004500600000000, 0.0003290800000000, -0.0002088400000000 ] - [ -0.0007267200000000, 0.0001300500000000, -0.0003361200000000 ] - [ 0.0002783000000000, 0.0002145400000000, -0.0000035300000000 ] - [ -0.0012216400000000, 0.0061760900000000, -0.0016641100000000 ] - [ 0.0004321900000000, 0.0001912500000000, 0.0000254700000000 ] - [ 0.0001383100000000, 0.0001656100000000, -0.0001858700000000 ] - [ -0.0000423100000000, 0.0000424400000000, 0.0001627300000000 ] - [ 0.0004948200000000, -0.0000991000000000, 0.0003959400000000 ] - [ 0.0010443600000000, 0.0013717300000000, -0.0006168100000000 ] - [ 0.0002396000000000, 0.0001831600000000, -0.0000120100000000 ] - [ -0.0002920300000000, 0.0000706800000000, -0.0000512300000000 ] - [ -0.0000275300000000, 0.0002409900000000, -0.0001224400000000 ] - [ 0.0007699200000000, -0.0018419900000000, 0.0003700900000000 ] - [ -0.0004318900000000, -0.0001302000000000, -0.0000782000000000 ] - [ -0.0004154400000000, -0.0001168800000000, -0.0000251900000000 ] - [ -0.0017326000000000, -0.0039895300000000, 0.0033451900000000 ] - [ 0.0007795400000000, -0.0001516300000000, 0.0000190800000000 ] - [ 0.0003893500000000, -0.0002822200000000, -0.0005479900000000 ] - [ 0.0003718500000000, 0.0000002500000000, 0.0001999800000000 ] - [ -0.0017162400000000, 0.0016601800000000, 0.0042039500000000 ] - [ 0.0003635000000000, 0.0001942200000000, 0.0004414900000000 ] - [ 0.0001470400000000, 0.0006616100000000, -0.0001604500000000 ] - [ 0.0002787200000000, 0.0000024800000000, 0.0007116800000000 ] - [ 0.0003357000000000, -0.0006222700000000, -0.0004985100000000 ] - [ -0.0000931600000000, 0.0004898200000000, -0.0003684800000000 ] - [ -0.0004456400000000, 0.0002474500000000, -0.0005820700000000 ] - [ 0.0000111600000000, 0.0002329600000000, -0.0004365100000000 ] - [ 0.0001487200000000, 0.0001955000000000, 0.0001109700000000 ] - [ 0.0015578700000000, -0.0005479500000000, -0.0021123400000000 ] - [ 0.0002367900000000, 0.0001388200000000, -0.0003541500000000 ] - [ -0.0008646100000000, 0.0000769200000000, -0.0003323600000000 ] - [ -0.0006987300000000, -0.0002985900000000, 0.0000402900000000 ] - [ 0.0005201400000000, 0.0000528200000000, 0.0003546500000000 ] - [ 0.0003197200000000, -0.0000327900000000, -0.0000231100000000 ] - [ 0.0001432100000000, -0.0001207400000000, 0.0004607400000000 ]- atom: 25 displacement: [ -0.0099999730884809, 0.0000000000000000, 0.0000231997770880 ] forces: - [ -0.0025542800000000, -0.0008733900000000, -0.0011731700000000 ] - [ -0.0056292000000000, -0.0029244000000000, -0.0088877000000000 ] - [ 0.0004448300000000, 0.0009406700000000, -0.0000173800000000 ] - [ -0.0003016900000000, -0.0001065300000000, 0.0001501400000000 ] - [ 0.0003049100000000, 0.0004236700000000, -0.0007580600000000 ] - [ 0.0003860800000000, -0.0002243500000000, 0.0001674800000000 ] - [ -0.0009280500000000, 0.0001199000000000, 0.0000705000000000 ] - [ 0.0018666900000000, -0.0001562500000000, -0.0005013000000000 ] - [ 0.0004594100000000, -0.0005070400000000, 0.0005401700000000 ] - [ -0.0003348800000000, 0.0001724700000000, 0.0000830800000000 ] - [ -0.0003273200000000, 0.0001079700000000, 0.0007639400000000 ] - [ -0.0002269300000000, 0.0000111900000000, 0.0001767100000000 ] - [ 0.0022852600000000, 0.0010726300000000, 0.0002834300000000 ] - [ 0.0000927800000000, -0.0000378500000000, -0.0000011200000000 ] - [ 0.0001905900000000, -0.0001441500000000, 0.0005311000000000 ] - [ 0.0004510700000000, -0.0000295000000000, -0.0000268500000000 ] - [ 0.0015533600000000, -0.0004711500000000, -0.0002196200000000 ] - [ 0.0001432800000000, -0.0000212300000000, 0.0001528600000000 ] - [ 0.0000764100000000, -0.0001864300000000, 0.0001064600000000 ] - [ 0.0005965100000000, -0.0002413600000000, 0.0001585900000000 ] - [ -0.0082739700000000, 0.0043210200000000, 0.0073529200000000 ] - [ -0.0029321200000000, -0.0024435100000000, -0.0027324500000000 ] - [ -0.0007286200000000, -0.0002079800000000, 0.0003777600000000 ] - [ -0.0007143100000000, -0.0003544400000000, -0.0004123900000000 ] - [ 0.0989876800000000, 0.0038629100000000, 0.0011484100000000 ] - [ -0.0001927500000000, 0.0000067200000000, 0.0002370200000000 ] - [ 0.0001215000000000, -0.0002225500000000, 0.0004553900000000 ] - [ 0.0003626100000000, -0.0002295000000000, 0.0000697700000000 ] - [ -0.0003994700000000, -0.0001816100000000, -0.0003131900000000 ] - [ -0.0006045900000000, 0.0002152700000000, -0.0006865600000000 ] - [ -0.0003035800000000, -0.0001388400000000, -0.0003968000000000 ] - [ -0.0001040400000000, -0.0001010500000000, -0.0002107900000000 ] - [ -0.0010133900000000, 0.0000560700000000, 0.0001676100000000 ] - [ 0.0001151900000000, 0.0001422500000000, -0.0000435100000000 ] - [ 0.0000674900000000, 0.0002224500000000, -0.0002016700000000 ] - [ -0.0002798100000000, 0.0002104900000000, -0.0000780600000000 ] - [ -0.0003473800000000, 0.0000371600000000, -0.0005107900000000 ] - [ -0.0006599000000000, 0.0012218100000000, 0.0004404300000000 ] - [ 0.0000668700000000, 0.0001272900000000, -0.0000894200000000 ] - [ 0.0003594800000000, 0.0002330800000000, 0.0000850800000000 ] - [ 0.0051019200000000, -0.0007058500000000, -0.0027546800000000 ] - [ -0.0010968600000000, 0.0002430800000000, 0.0016111100000000 ] - [ -0.0010617500000000, -0.0007375900000000, -0.0007719300000000 ] - [ 0.0000170600000000, 0.0002119400000000, -0.0000673100000000 ] - [ -0.0010653500000000, 0.0003771400000000, 0.0000775200000000 ] - [ 0.0001547600000000, 0.0001853200000000, 0.0000108100000000 ] - [ -0.0000516600000000, 0.0002670900000000, -0.0001855500000000 ] - [ -0.0000578500000000, 0.0001723400000000, 0.0000629100000000 ] - [ 0.0003360600000000, 0.0000938400000000, 0.0000763000000000 ] - [ -0.0002007700000000, 0.0001971200000000, 0.0001674300000000 ] - [ 0.0000731800000000, 0.0001060200000000, 0.0000473900000000 ] - [ 0.0000565600000000, 0.0001405700000000, -0.0001228100000000 ] - [ 0.0000515300000000, 0.0003852100000000, -0.0008114800000000 ] - [ 0.0003193400000000, -0.0004209400000000, 0.0000677800000000 ] - [ -0.0001173400000000, -0.0004456200000000, -0.0003799700000000 ] - [ 0.0001926400000000, -0.0001437800000000, -0.0000004400000000 ] - [ -0.0095951500000000, 0.0009410000000000, 0.0000332700000000 ] - [ 0.0001802500000000, 0.0002711400000000, 0.0002253100000000 ] - [ -0.0001567200000000, 0.0002018300000000, -0.0001167200000000 ] - [ -0.0000182400000000, -0.0000889100000000, -0.0001325000000000 ] - [ -0.0000556800000000, -0.0003401300000000, 0.0003761100000000 ] - [ 0.0000783000000000, -0.0000340600000000, 0.0000325000000000 ] - [ 0.0002876300000000, -0.0001866100000000, -0.0000732000000000 ] - [ -0.0005246400000000, 0.0000543200000000, 0.0003682000000000 ] - [ 0.0001058500000000, 0.0001064400000000, -0.0002987000000000 ] - [ 0.0002647900000000, -0.0002573300000000, -0.0000659500000000 ] - [ 0.0000606400000000, -0.0001609000000000, -0.0003409500000000 ] - [ 0.0000610500000000, -0.0001113900000000, -0.0000980000000000 ] - [ -0.0009474100000000, -0.0000378200000000, 0.0000203900000000 ] - [ 0.0001666500000000, 0.0000787400000000, -0.0002044200000000 ] - [ 0.0005584300000000, -0.0001835600000000, 0.0000797300000000 ] - [ -0.0004633600000000, 0.0000497400000000, 0.0006105500000000 ] - [ -0.0076009100000000, -0.0016983100000000, 0.0033313200000000 ] - [ 0.0002807700000000, -0.0000301300000000, 0.0001295300000000 ] - [ -0.0001425300000000, -0.0000133900000000, -0.0001365100000000 ] - [ -0.0000329100000000, -0.0001076500000000, 0.0003316400000000 ] - [ 0.0002206100000000, -0.0000372100000000, 0.0000837800000000 ] - [ -0.0004583900000000, 0.0000682900000000, 0.0002288000000000 ] - [ 0.0000425500000000, -0.0000435100000000, 0.0000526100000000 ] - [ 0.0000062300000000, -0.0000239400000000, -0.0000793300000000 ] - [ 0.0008215000000000, 0.0001650800000000, -0.0000810700000000 ] - [ -0.0000484500000000, -0.0005585600000000, 0.0012778100000000 ] - [ 0.0004485000000000, -0.0000419200000000, 0.0001788900000000 ] - [ 0.0005901300000000, -0.0000092800000000, -0.0002619300000000 ] - [ -0.0009042100000000, -0.0012175800000000, -0.0003218100000000 ] - [ -0.0003437200000000, -0.0000675700000000, 0.0001383000000000 ] - [ -0.0005005000000000, -0.0001651300000000, -0.0001583400000000 ] - [ -0.0004630700000000, -0.0000277500000000, 0.0001458500000000 ] - [ 0.0003932700000000, -0.0014938700000000, -0.0000206700000000 ] - [ 0.0000309500000000, 0.0005600300000000, 0.0000452500000000 ] - [ -0.0000793300000000, 0.0000582000000000, -0.0000130400000000 ] - [ -0.0002103200000000, 0.0000529200000000, 0.0002891100000000 ] - [ 0.0000639300000000, 0.0007899900000000, 0.0003551000000000 ] - [ 0.0003702900000000, -0.0001886300000000, -0.0002455700000000 ] - [ 0.0003279400000000, 0.0000875400000000, -0.0002609900000000 ] - [ 0.0001352000000000, 0.0000582700000000, -0.0000714200000000 ] - [ -0.0000390600000000, -0.0003368500000000, 0.0001695600000000 ] - [ -0.0004130000000000, -0.0001486000000000, 0.0002123700000000 ] - [ -0.0002014100000000, -0.0001969700000000, 0.0000985500000000 ] - [ -0.0003475500000000, -0.0002098200000000, 0.0001153100000000 ] - [ -0.0669781600000000, 0.0018209800000000, 0.0022434000000000 ] - [ 0.0006964400000000, -0.0002420600000000, -0.0001672000000000 ] - [ 0.0003782000000000, -0.0001456700000000, -0.0003598700000000 ] - [ 0.0000231600000000, -0.0001426300000000, -0.0001029700000000 ] - [ -0.0005410900000000, 0.0001913200000000, 0.0001956100000000 ] - [ 0.0021677300000000, 0.0002708200000000, 0.0000747800000000 ] - [ -0.0007607300000000, -0.0008722100000000, 0.0020973500000000 ] - [ 0.0009461500000000, 0.0000536500000000, 0.0007450300000000 ] - [ -0.0003061500000000, 0.0001981800000000, -0.0001838600000000 ] - [ -0.0003660300000000, 0.0000030400000000, -0.0003610500000000 ] - [ -0.0000841000000000, 0.0002001700000000, -0.0002365700000000 ] - [ -0.0010905100000000, 0.0001143000000000, -0.0005675200000000 ] - [ 0.0012248300000000, -0.0059072900000000, 0.0016850100000000 ] - [ -0.0003893500000000, 0.0000479000000000, -0.0000023800000000 ] - [ -0.0000917100000000, 0.0000729200000000, 0.0002054500000000 ] - [ 0.0000851600000000, 0.0001942500000000, -0.0001395300000000 ] - [ -0.0005372200000000, 0.0003357500000000, -0.0004192100000000 ] - [ -0.0010650000000000, -0.0011410500000000, 0.0006155400000000 ] - [ -0.0002840500000000, 0.0000515100000000, -0.0000210000000000 ] - [ 0.0002507500000000, 0.0001655600000000, 0.0000237800000000 ] - [ -0.0007279900000000, -0.0004690100000000, 0.0000849100000000 ] - [ -0.0015076300000000, 0.0016368200000000, -0.0003908800000000 ] - [ -0.0003271800000000, -0.0000965700000000, 0.0000403300000000 ] - [ -0.0003405200000000, -0.0001097400000000, -0.0000114400000000 ] - [ 0.0024592400000000, 0.0037347500000000, -0.0032852300000000 ] - [ -0.0000239400000000, -0.0000757300000000, 0.0000210600000000 ] - [ 0.0003677400000000, 0.0000558900000000, 0.0005829400000000 ] - [ 0.0003842200000000, -0.0002287600000000, -0.0001715600000000 ] - [ 0.0018606300000000, -0.0012448600000000, -0.0034010500000000 ] - [ -0.0001825500000000, 0.0001990300000000, 0.0003223000000000 ] - [ 0.0000335400000000, -0.0002694200000000, 0.0009224300000000 ] - [ -0.0000984800000000, 0.0003975300000000, 0.0000460800000000 ] - [ -0.0005138700000000, 0.0010149900000000, -0.0002645800000000 ] - [ -0.0000815400000000, -0.0001059100000000, -0.0003913900000000 ] - [ 0.0002627100000000, 0.0001452700000000, -0.0001845500000000 ] - [ -0.0001891500000000, 0.0001614200000000, -0.0003265600000000 ] - [ -0.0003835800000000, -0.0001588800000000, -0.0006626600000000 ] - [ -0.0017626700000000, 0.0005915700000000, 0.0015602100000000 ] - [ -0.0004750400000000, -0.0000996400000000, -0.0002019800000000 ] - [ 0.0006291200000000, -0.0000385000000000, -0.0002246800000000 ] - [ 0.0009345500000000, 0.0003309600000000, 0.0005149000000000 ] - [ -0.0002860600000000, -0.0000220100000000, 0.0001990400000000 ] - [ -0.0000785700000000, 0.0000699300000000, 0.0005712000000000 ] - [ 0.0000925600000000, 0.0001574800000000, 0.0000926000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001689800000000, -0.0000367400000000, 0.0004078000000000 ] - [ 0.0006798500000000, 0.0017005600000000, 0.0045526600000000 ] - [ -0.0006117600000000, -0.0008487600000000, -0.0003147700000000 ] - [ -0.0003230700000000, -0.0002950700000000, -0.0004951100000000 ] - [ -0.0000518700000000, -0.0002454200000000, -0.0001240100000000 ] - [ 0.0005427800000000, -0.0004071700000000, 0.0004238500000000 ] - [ 0.0000167400000000, -0.0001035200000000, -0.0002525700000000 ] - [ 0.0003130100000000, -0.0001100500000000, -0.0002563600000000 ] - [ 0.0000316700000000, -0.0000088500000000, 0.0000463300000000 ] - [ -0.0001566000000000, 0.0000119100000000, -0.0000399900000000 ] - [ -0.0000690700000000, 0.0002202300000000, 0.0015996600000000 ] - [ -0.0001673700000000, 0.0000083200000000, 0.0002226900000000 ] - [ 0.0009760600000000, 0.0038898300000000, 0.0019095800000000 ] - [ 0.0002631600000000, -0.0000642000000000, 0.0001987700000000 ] - [ 0.0003663300000000, -0.0001408500000000, 0.0001743200000000 ] - [ 0.0004797300000000, -0.0001054900000000, 0.0001235300000000 ] - [ 0.0013329200000000, -0.0000552200000000, 0.0001927900000000 ] - [ 0.0000632600000000, 0.0003216000000000, 0.0002145600000000 ] - [ 0.0003038600000000, -0.0001852000000000, 0.0000042000000000 ] - [ 0.0003170900000000, -0.0002733800000000, -0.0000055200000000 ] - [ 0.0001646100000000, 0.0000681100000000, -0.0006667100000000 ] - [ -0.0015479600000000, 0.0007318500000000, 0.0014451800000000 ] - [ -0.0003295800000000, -0.0003909900000000, -0.0005656100000000 ] - [ -0.0002874300000000, -0.0001839700000000, -0.0001458000000000 ] - [ -0.0034773500000000, -0.0917792000000000, 0.0074302000000000 ] - [ 0.0000464500000000, -0.0002579400000000, 0.0001816200000000 ] - [ 0.0002807900000000, -0.0001696700000000, 0.0003358200000000 ] - [ 0.0002901300000000, -0.0000440800000000, 0.0002765400000000 ] - [ -0.0002382600000000, -0.0001343100000000, -0.0003133800000000 ] - [ 0.0001562800000000, 0.0023576100000000, -0.0011399200000000 ] - [ -0.0001955900000000, -0.0001490200000000, -0.0004216800000000 ] - [ -0.0001589000000000, -0.0000782600000000, -0.0003263200000000 ] - [ -0.0005720400000000, -0.0004854700000000, -0.0003089200000000 ] - [ 0.0000164100000000, 0.0000732300000000, -0.0000516900000000 ] - [ -0.0000412100000000, 0.0001867500000000, -0.0000878500000000 ] - [ -0.0001283700000000, 0.0001451700000000, -0.0000433400000000 ] - [ 0.0004012600000000, 0.0001694800000000, -0.0002861000000000 ] - [ -0.0009458600000000, 0.0002485300000000, -0.0008444100000000 ] - [ 0.0002596000000000, 0.0003907200000000, 0.0003147100000000 ] - [ -0.0000602000000000, 0.0002449200000000, 0.0001496300000000 ] - [ -0.0002801000000000, 0.0003600700000000, 0.0001207900000000 ] - [ 0.0041708300000000, 0.0016138200000000, 0.0020950900000000 ] - [ 0.0003059500000000, 0.0007714200000000, 0.0001176600000000 ] - [ 0.0001188900000000, 0.0002826900000000, 0.0002097500000000 ] - [ -0.0005470200000000, -0.0001912400000000, -0.0001405500000000 ] - [ 0.0000081200000000, 0.0001487900000000, -0.0001147600000000 ] - [ -0.0001218400000000, 0.0002241400000000, 0.0000186400000000 ] - [ -0.0001603800000000, 0.0002322500000000, 0.0000249800000000 ] - [ 0.0000803200000000, 0.0001336500000000, -0.0000490000000000 ] - [ -0.0002966900000000, -0.0017335200000000, 0.0001370100000000 ] - [ 0.0001006800000000, 0.0001980800000000, 0.0000147400000000 ] - [ 0.0000607700000000, 0.0000923000000000, 0.0000530100000000 ] - [ -0.0001030200000000, 0.0000110600000000, -0.0000145900000000 ] - [ 0.0003826500000000, -0.0000899900000000, 0.0001898900000000 ] - [ 0.0000027500000000, 0.0003272900000000, -0.0002496200000000 ] - [ 0.0001543700000000, -0.0001771200000000, -0.0000912200000000 ] - [ -0.0020423800000000, 0.0471983400000000, 0.0181169800000000 ] - [ 0.0000102500000000, 0.0001776300000000, -0.0000314200000000 ] - [ -0.0000979500000000, 0.0002226100000000, 0.0000533900000000 ] - [ -0.0000625600000000, 0.0003153500000000, 0.0001248800000000 ] - [ 0.0001133500000000, -0.0003572500000000, 0.0003272400000000 ] - [ -0.0004793300000000, -0.0003158900000000, 0.0001523700000000 ] - [ -0.0001297200000000, -0.0002293600000000, 0.0000933500000000 ] - [ -0.0001444700000000, -0.0001084700000000, 0.0001168600000000 ] - [ -0.0001621600000000, -0.0003030200000000, 0.0000137300000000 ] - [ 0.0003198500000000, -0.0004330400000000, 0.0000787400000000 ] - [ 0.0001145400000000, -0.0000069700000000, -0.0004479400000000 ] - [ 0.0000358800000000, -0.0001277800000000, -0.0001492800000000 ] - [ -0.0002562700000000, 0.0008464500000000, -0.0004086700000000 ] - [ -0.0000256600000000, 0.0001677100000000, 0.0001585700000000 ] - [ -0.0000756900000000, -0.0000996700000000, 0.0001994000000000 ] - [ 0.0000448800000000, -0.0001016400000000, 0.0002368100000000 ] - [ 0.0026240600000000, 0.0253413100000000, -0.0282209000000000 ] - [ -0.0000007500000000, -0.0000035600000000, -0.0000122100000000 ] - [ -0.0000597000000000, -0.0000259300000000, 0.0000082200000000 ] - [ 0.0000227000000000, -0.0002698400000000, 0.0002771200000000 ] - [ 0.0000496000000000, -0.0000205300000000, -0.0000023800000000 ] - [ -0.0000385200000000, -0.0017263300000000, 0.0003415000000000 ] - [ 0.0000645000000000, -0.0000513000000000, 0.0000500300000000 ] - [ -0.0000295700000000, -0.0000791100000000, 0.0000230700000000 ] - [ 0.0004686800000000, 0.0000158400000000, -0.0001183300000000 ] - [ -0.0000949200000000, 0.0022184200000000, -0.0026837000000000 ] - [ 0.0003792600000000, -0.0000057800000000, -0.0001658600000000 ] - [ 0.0005607400000000, -0.0000506100000000, -0.0001615900000000 ] - [ -0.0001017400000000, -0.0011114000000000, -0.0003124500000000 ] - [ -0.0004612800000000, -0.0001096300000000, 0.0000191900000000 ] - [ -0.0004622500000000, -0.0000661600000000, 0.0000827000000000 ] - [ -0.0005603600000000, 0.0000609300000000, 0.0001443200000000 ] - [ -0.0001817200000000, 0.0003849300000000, 0.0000732600000000 ] - [ -0.0002121400000000, 0.0000625500000000, 0.0000254300000000 ] - [ -0.0002108100000000, -0.0000063400000000, 0.0002867000000000 ] - [ -0.0002073200000000, 0.0000486100000000, 0.0001738900000000 ] - [ -0.0007878800000000, 0.0010630500000000, 0.0001547800000000 ] - [ 0.0009809900000000, -0.0001557300000000, -0.0004760700000000 ] - [ 0.0002207700000000, 0.0000848300000000, -0.0001293100000000 ] - [ 0.0002143000000000, 0.0001518000000000, -0.0001219700000000 ] - [ -0.0002214700000000, -0.0002446800000000, 0.0001184200000000 ] - [ -0.0004329200000000, -0.0012373900000000, 0.0001647800000000 ] - [ -0.0003640400000000, -0.0002297400000000, 0.0001793300000000 ] - [ -0.0002468200000000, -0.0002244200000000, 0.0001370400000000 ] - [ -0.0020964300000000, 0.0082854500000000, 0.0006750300000000 ] - [ 0.0004046600000000, -0.0001158800000000, -0.0001132700000000 ] - [ 0.0002124100000000, -0.0001354800000000, -0.0001047300000000 ] - [ 0.0001424500000000, -0.0001689700000000, -0.0001548300000000 ] - [ 0.0003438200000000, 0.0001295200000000, 0.0001855400000000 ] - [ 0.0002057900000000, 0.0002055000000000, 0.0001639900000000 ] - [ 0.0001264400000000, 0.0003496300000000, -0.0001341400000000 ] - [ 0.0005244900000000, 0.0001258200000000, 0.0003168600000000 ] - [ -0.0003435700000000, 0.0001613400000000, -0.0003213700000000 ] - [ -0.0002753400000000, 0.0001276400000000, -0.0007193100000000 ] - [ -0.0003146200000000, 0.0001631000000000, -0.0002413400000000 ] - [ -0.0003702100000000, 0.0000369400000000, -0.0000833700000000 ] - [ 0.0054850200000000, 0.0023104600000000, -0.0035610900000000 ] - [ -0.0001238600000000, 0.0000877000000000, -0.0000422600000000 ] - [ 0.0000211300000000, 0.0000090000000000, 0.0000556200000000 ] - [ -0.0000039300000000, 0.0000950300000000, -0.0000251600000000 ] - [ -0.0000818300000000, 0.0001769700000000, 0.0000809700000000 ] - [ 0.0018100700000000, 0.0021021500000000, -0.0001266400000000 ] - [ -0.0000600500000000, 0.0001455000000000, -0.0001116000000000 ] - [ -0.0000035800000000, 0.0001721100000000, -0.0000444500000000 ] - [ -0.0004446300000000, -0.0002007800000000, 0.0000292000000000 ] - [ -0.0037888300000000, 0.0008726600000000, -0.0031745000000000 ] - [ -0.0003320000000000, -0.0002116400000000, 0.0000099800000000 ] - [ -0.0003814600000000, -0.0001477400000000, -0.0000182700000000 ] - [ -0.0024322300000000, 0.0028336500000000, -0.0006868200000000 ] - [ 0.0005029800000000, -0.0000575100000000, 0.0001379600000000 ] - [ 0.0003922700000000, -0.0001062200000000, -0.0001099800000000 ] - [ 0.0004425600000000, -0.0001326800000000, -0.0002104200000000 ] - [ 0.0016343400000000, -0.0029276700000000, 0.0023186400000000 ] - [ 0.0000717200000000, 0.0000037500000000, 0.0004934300000000 ] - [ 0.0000987000000000, 0.0002327100000000, 0.0003152900000000 ] - [ 0.0001474900000000, 0.0004320300000000, 0.0001594200000000 ] - [ -0.0000576000000000, 0.0001635900000000, -0.0003564100000000 ] - [ 0.0001568300000000, 0.0001884300000000, -0.0001433800000000 ] - [ -0.0000367600000000, 0.0003775800000000, -0.0003825100000000 ] - [ -0.0000222100000000, 0.0003031800000000, -0.0004576000000000 ] - [ -0.0002349700000000, -0.0000169100000000, -0.0002637600000000 ] - [ -0.0008498400000000, -0.0037958900000000, 0.0018426200000000 ] - [ -0.0001803300000000, -0.0000003100000000, -0.0003429900000000 ] - [ -0.0001410200000000, 0.0000094000000000, -0.0002732200000000 ] - [ -0.0000193800000000, 0.0002897300000000, 0.0004225700000000 ] - [ 0.0000663300000000, 0.0000839200000000, 0.0002711400000000 ] - [ 0.0000335500000000, 0.0003652600000000, 0.0001964900000000 ] - [ 0.0000508300000000, 0.0000994400000000, 0.0002024400000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006290600000000, -0.0001568700000000, -0.0007043400000000 ] - [ -0.0015657900000000, -0.0019242300000000, -0.0050017500000000 ] - [ -0.0001769200000000, 0.0006518500000000, 0.0000100700000000 ] - [ -0.0004651900000000, 0.0001016600000000, 0.0001909500000000 ] - [ 0.0002158200000000, 0.0002579300000000, -0.0002388100000000 ] - [ -0.0003820800000000, 0.0004199500000000, -0.0007718500000000 ] - [ 0.0001445200000000, 0.0001165900000000, -0.0001146700000000 ] - [ -0.0001421200000000, 0.0001259700000000, -0.0001128900000000 ] - [ -0.0001883600000000, 0.0000173800000000, 0.0003218400000000 ] - [ -0.0000087000000000, 0.0000001700000000, 0.0004052700000000 ] - [ -0.0000898000000000, -0.0002058000000000, -0.0012414700000000 ] - [ 0.0000043500000000, 0.0000039000000000, 0.0001451800000000 ] - [ -0.0001902000000000, -0.0040848000000000, -0.0016030600000000 ] - [ 0.0005223500000000, -0.0001215600000000, 0.0001009000000000 ] - [ 0.0004207400000000, -0.0000493100000000, 0.0001251900000000 ] - [ 0.0003090700000000, -0.0000845500000000, 0.0001709400000000 ] - [ -0.0006825000000000, -0.0003654800000000, -0.0000473300000000 ] - [ 0.0005913300000000, -0.0007427700000000, -0.0000651900000000 ] - [ 0.0003484700000000, -0.0002413800000000, 0.0001385600000000 ] - [ 0.0003386900000000, -0.0001547000000000, 0.0001488800000000 ] - [ -0.0008509000000000, -0.0004645400000000, 0.0005737500000000 ] - [ 0.0008751700000000, -0.0011539300000000, -0.0015683200000000 ] - [ -0.0003295600000000, -0.0000396000000000, 0.0004206400000000 ] - [ -0.0003813500000000, -0.0002468400000000, -0.0000008500000000 ] - [ 0.0043660600000000, 0.0893527400000000, -0.0083011400000000 ] - [ 0.0003596700000000, -0.0000429600000000, 0.0004744300000000 ] - [ 0.0001312000000000, -0.0001308100000000, 0.0003205600000000 ] - [ 0.0001236000000000, -0.0002544500000000, 0.0003794300000000 ] - [ -0.0001734000000000, -0.0001672900000000, -0.0003448400000000 ] - [ -0.0005760900000000, -0.0026822700000000, 0.0005076700000000 ] - [ -0.0002167300000000, -0.0001508700000000, -0.0002370500000000 ] - [ -0.0002515700000000, -0.0002225900000000, -0.0003321700000000 ] - [ 0.0003493600000000, 0.0008644000000000, 0.0001390900000000 ] - [ -0.0002450000000000, 0.0003049900000000, -0.0001095100000000 ] - [ -0.0001898700000000, 0.0001920100000000, -0.0000724600000000 ] - [ -0.0001036300000000, 0.0002350000000000, -0.0001177300000000 ] - [ -0.0001692100000000, 0.0002082100000000, 0.0004339200000000 ] - [ 0.0011892500000000, 0.0001228000000000, 0.0010134100000000 ] - [ -0.0000301300000000, -0.0000095900000000, -0.0001518400000000 ] - [ 0.0002893500000000, 0.0001355800000000, 0.0000125900000000 ] - [ 0.0004933100000000, 0.0000856500000000, -0.0001136700000000 ] - [ -0.0039351100000000, -0.0011474500000000, -0.0020571800000000 ] - [ -0.0001122200000000, -0.0003144400000000, -0.0001038400000000 ] - [ 0.0000727000000000, 0.0001650300000000, -0.0001864000000000 ] - [ 0.0003631200000000, 0.0006335400000000, 0.0001232600000000 ] - [ -0.0001934700000000, 0.0002980900000000, 0.0000920500000000 ] - [ -0.0000702800000000, 0.0002244800000000, -0.0000404500000000 ] - [ -0.0000286300000000, 0.0002135100000000, -0.0000420800000000 ] - [ 0.0000896000000000, 0.0002030200000000, 0.0000229000000000 ] - [ 0.0004742000000000, 0.0020969700000000, -0.0001709400000000 ] - [ 0.0000690300000000, 0.0001362400000000, -0.0000386700000000 ] - [ 0.0001080400000000, 0.0002427100000000, -0.0000790400000000 ] - [ 0.0003453300000000, -0.0003998700000000, -0.0001582200000000 ] - [ -0.0001337000000000, -0.0003028600000000, -0.0003594700000000 ] - [ 0.0002411400000000, -0.0007254400000000, 0.0000716400000000 ] - [ 0.0000917800000000, -0.0002144200000000, -0.0000824800000000 ] - [ 0.0015795000000000, -0.0446971100000000, -0.0171458500000000 ] - [ -0.0001783500000000, 0.0001591700000000, 0.0000584900000000 ] - [ -0.0000723100000000, 0.0001159900000000, -0.0000264700000000 ] - [ -0.0001083300000000, 0.0000261400000000, -0.0000962000000000 ] - [ -0.0003596600000000, -0.0000368300000000, -0.0001539600000000 ] - [ 0.0002339100000000, -0.0000783000000000, 0.0000174900000000 ] - [ -0.0001141900000000, -0.0001644800000000, 0.0000783700000000 ] - [ -0.0001034400000000, -0.0002838100000000, 0.0000593700000000 ] - [ 0.0001688900000000, 0.0000823900000000, -0.0003080500000000 ] - [ -0.0003040000000000, 0.0002111400000000, -0.0003698900000000 ] - [ -0.0001033600000000, -0.0002129400000000, 0.0001549900000000 ] - [ -0.0000249200000000, -0.0000912100000000, -0.0001452300000000 ] - [ 0.0002305300000000, -0.0010599600000000, 0.0006880000000000 ] - [ 0.0000210300000000, -0.0003804900000000, 0.0001296300000000 ] - [ 0.0000685900000000, -0.0001190400000000, 0.0000927300000000 ] - [ -0.0000584000000000, -0.0001172600000000, 0.0000598000000000 ] - [ -0.0027815400000000, -0.0256036300000000, 0.0289008200000000 ] - [ -0.0000647100000000, -0.0000401000000000, -0.0000135800000000 ] - [ -0.0000081000000000, -0.0000182800000000, -0.0000348600000000 ] - [ -0.0000922500000000, 0.0002207000000000, -0.0002984700000000 ] - [ 0.0000203800000000, -0.0000242800000000, 0.0000285400000000 ] - [ 0.0001055200000000, 0.0016850000000000, -0.0003160400000000 ] - [ 0.0000046500000000, 0.0000067700000000, -0.0000228500000000 ] - [ 0.0000979500000000, 0.0000347200000000, 0.0000035200000000 ] - [ 0.0004814800000000, -0.0001346600000000, -0.0000195000000000 ] - [ 0.0010480500000000, -0.0023363900000000, 0.0025245700000000 ] - [ 0.0005676000000000, -0.0001158600000000, 0.0000273800000000 ] - [ 0.0003916800000000, -0.0000673800000000, 0.0000196800000000 ] - [ -0.0008510400000000, 0.0010140100000000, 0.0004555500000000 ] - [ -0.0004863600000000, -0.0000113900000000, 0.0001185100000000 ] - [ -0.0004870000000000, -0.0000564200000000, 0.0000543800000000 ] - [ -0.0003881700000000, -0.0001788400000000, -0.0000043800000000 ] - [ -0.0002666100000000, -0.0002332800000000, 0.0002168600000000 ] - [ -0.0002276600000000, 0.0000925000000000, 0.0002596900000000 ] - [ -0.0002323800000000, 0.0001619800000000, 0.0000009900000000 ] - [ -0.0002355100000000, 0.0001068900000000, 0.0001141500000000 ] - [ 0.0012168900000000, -0.0009178500000000, -0.0004466800000000 ] - [ -0.0005282700000000, 0.0003073300000000, 0.0001878900000000 ] - [ 0.0002232000000000, 0.0000725900000000, -0.0001565300000000 ] - [ 0.0002293100000000, 0.0000038500000000, -0.0001638000000000 ] - [ -0.0003064500000000, -0.0001466800000000, 0.0001463500000000 ] - [ -0.0000900800000000, 0.0008472900000000, 0.0000968500000000 ] - [ -0.0001635800000000, -0.0001621900000000, 0.0000856800000000 ] - [ -0.0002813600000000, -0.0001675800000000, 0.0001278600000000 ] - [ 0.0025637400000000, -0.0086614600000000, -0.0009085200000000 ] - [ 0.0001311800000000, -0.0002761900000000, -0.0001515000000000 ] - [ 0.0003154100000000, -0.0002555300000000, -0.0001605600000000 ] - [ 0.0003889600000000, -0.0002233600000000, -0.0001123500000000 ] - [ 0.0004625700000000, 0.0002004700000000, 0.0003897000000000 ] - [ 0.0006149800000000, 0.0001238000000000, 0.0004057900000000 ] - [ 0.0006778100000000, -0.0000070500000000, 0.0006946200000000 ] - [ 0.0002959100000000, 0.0002061700000000, 0.0002599900000000 ] - [ -0.0004693400000000, 0.0001701800000000, -0.0002539600000000 ] - [ -0.0005412100000000, 0.0001998900000000, 0.0001418100000000 ] - [ -0.0004962100000000, 0.0001685600000000, -0.0003332200000000 ] - [ -0.0004461500000000, 0.0002938100000000, -0.0004900900000000 ] - [ -0.0053924100000000, -0.0020599800000000, 0.0035497700000000 ] - [ 0.0001638500000000, 0.0001503100000000, 0.0000631300000000 ] - [ 0.0000213500000000, 0.0002286400000000, -0.0000300800000000 ] - [ 0.0000475800000000, 0.0001426300000000, 0.0000480500000000 ] - [ 0.0000350200000000, 0.0000630200000000, -0.0001045600000000 ] - [ -0.0018571900000000, -0.0018652400000000, 0.0001236300000000 ] - [ 0.0000145100000000, 0.0000946200000000, 0.0000898200000000 ] - [ -0.0000383800000000, 0.0000673600000000, 0.0000201900000000 ] - [ -0.0003116100000000, -0.0000288100000000, -0.0000663000000000 ] - [ 0.0030169100000000, -0.0010929700000000, 0.0031305800000000 ] - [ -0.0004237800000000, -0.0000146100000000, -0.0000446500000000 ] - [ -0.0003747200000000, -0.0000783300000000, -0.0000172200000000 ] - [ 0.0032076600000000, -0.0030629600000000, 0.0007394000000000 ] - [ 0.0002517100000000, -0.0001673200000000, -0.0001008000000000 ] - [ 0.0003656200000000, -0.0001179900000000, 0.0001480400000000 ] - [ 0.0003140800000000, -0.0000932600000000, 0.0002418700000000 ] - [ -0.0014435200000000, 0.0033016900000000, -0.0015661000000000 ] - [ 0.0001054900000000, 0.0003865400000000, 0.0002709900000000 ] - [ 0.0000816500000000, 0.0001567900000000, 0.0004492000000000 ] - [ 0.0000329100000000, -0.0000379100000000, 0.0005985200000000 ] - [ -0.0001217900000000, 0.0002322800000000, -0.0004076700000000 ] - [ -0.0003429400000000, 0.0002003000000000, -0.0006249600000000 ] - [ -0.0001437000000000, 0.0000165800000000, -0.0003848600000000 ] - [ -0.0001577200000000, 0.0000911600000000, -0.0003059200000000 ] - [ -0.0000030100000000, 0.0000496400000000, -0.0002902000000000 ] - [ 0.0005972900000000, 0.0038220700000000, -0.0023921600000000 ] - [ -0.0000598400000000, 0.0000342100000000, -0.0002109700000000 ] - [ -0.0000937300000000, 0.0000259400000000, -0.0002812900000000 ] - [ 0.0002662800000000, -0.0002520400000000, 0.0001282600000000 ] - [ 0.0001675000000000, -0.0000463000000000, 0.0002803700000000 ] - [ 0.0002055500000000, -0.0003261600000000, 0.0003550300000000 ] - [ 0.0001849200000000, -0.0000600700000000, 0.0003499900000000 ]- atom: 25 displacement: [ -0.0045549923526468, 0.0000000000000000, 0.0089023617466001 ] forces: - [ -0.0009093600000000, -0.0001339900000000, 0.0002566000000000 ] - [ 0.0029172400000000, 0.0041868600000000, 0.0042459200000000 ] - [ 0.0004699700000000, -0.0000678100000000, -0.0004703500000000 ] - [ -0.0006062300000000, -0.0001185800000000, 0.0004764100000000 ] - [ 0.0005054300000000, 0.0006518400000000, -0.0002150900000000 ] - [ -0.0002614700000000, -0.0001262700000000, -0.0001898500000000 ] - [ -0.0000074200000000, -0.0000380800000000, -0.0004609800000000 ] - [ 0.0004793600000000, 0.0004064500000000, -0.0000083800000000 ] - [ -0.0000046500000000, -0.0001198800000000, 0.0003425000000000 ] - [ -0.0001287600000000, -0.0000180600000000, 0.0001304500000000 ] - [ -0.0000173600000000, 0.0004962900000000, 0.0001858400000000 ] - [ -0.0001710900000000, 0.0000215500000000, 0.0001858600000000 ] - [ 0.0015179600000000, 0.0010514600000000, 0.0002504600000000 ] - [ 0.0001096100000000, -0.0000559900000000, 0.0000864000000000 ] - [ 0.0002939000000000, -0.0001637600000000, 0.0004420100000000 ] - [ 0.0005842100000000, -0.0000653400000000, 0.0002156000000000 ] - [ 0.0017737900000000, -0.0001375500000000, 0.0000545200000000 ] - [ -0.0000853700000000, 0.0000097100000000, 0.0001904300000000 ] - [ 0.0002543000000000, -0.0001562400000000, 0.0001055300000000 ] - [ 0.0004253200000000, -0.0002975600000000, 0.0001554800000000 ] - [ -0.0035268900000000, 0.0010777100000000, 0.0035895500000000 ] - [ -0.0012754700000000, -0.0005155700000000, -0.0004532000000000 ] - [ -0.0002147200000000, 0.0000962100000000, 0.0007589800000000 ] - [ -0.0009435400000000, -0.0005341700000000, -0.0005207500000000 ] - [ 0.0449496200000000, 0.0091850100000000, -0.0964052200000000 ] - [ 0.0001032000000000, -0.0002115400000000, 0.0002406000000000 ] - [ 0.0000600300000000, -0.0001808700000000, 0.0004570400000000 ] - [ 0.0005068500000000, -0.0002351700000000, 0.0003155900000000 ] - [ -0.0003082100000000, -0.0001818300000000, -0.0003176900000000 ] - [ -0.0000705500000000, 0.0007436100000000, -0.0004045400000000 ] - [ -0.0001892100000000, -0.0000658800000000, -0.0003647700000000 ] - [ -0.0002634200000000, -0.0001349200000000, -0.0002060800000000 ] - [ -0.0006961600000000, 0.0003828400000000, -0.0001209400000000 ] - [ 0.0001214700000000, 0.0001043100000000, -0.0000135700000000 ] - [ 0.0000031100000000, 0.0002165500000000, -0.0001850300000000 ] - [ -0.0002496100000000, 0.0001993500000000, -0.0001281800000000 ] - [ 0.0002756300000000, 0.0000255600000000, -0.0006074000000000 ] - [ -0.0001555900000000, 0.0003539200000000, -0.0003771800000000 ] - [ -0.0006983000000000, 0.0000824700000000, -0.0001039400000000 ] - [ 0.0007192800000000, 0.0002908500000000, 0.0000375300000000 ] - [ 0.0010681400000000, 0.0000566200000000, -0.0005976200000000 ] - [ 0.0010503900000000, 0.0010241200000000, 0.0027750800000000 ] - [ 0.0001845400000000, -0.0002108300000000, -0.0000111000000000 ] - [ 0.0000257900000000, 0.0001853900000000, -0.0001733900000000 ] - [ -0.0008356500000000, -0.0002044700000000, -0.0000493200000000 ] - [ 0.0001444400000000, 0.0002004000000000, -0.0000247200000000 ] - [ -0.0000714300000000, 0.0002561300000000, -0.0001419400000000 ] - [ -0.0001828500000000, 0.0002385200000000, -0.0000930300000000 ] - [ 0.0001960600000000, 0.0001064600000000, 0.0000360600000000 ] - [ -0.0002501200000000, 0.0004698800000000, 0.0008568700000000 ] - [ 0.0000070700000000, 0.0000513400000000, 0.0000183100000000 ] - [ 0.0001480200000000, 0.0001843100000000, -0.0001680300000000 ] - [ 0.0001547500000000, 0.0001549300000000, -0.0002992600000000 ] - [ 0.0001519600000000, -0.0001956500000000, 0.0001179200000000 ] - [ -0.0000462400000000, -0.0007927200000000, -0.0006568600000000 ] - [ 0.0001849400000000, -0.0001735700000000, -0.0000605800000000 ] - [ -0.0049592400000000, 0.0144508900000000, 0.0154643800000000 ] - [ 0.0000640700000000, 0.0002419900000000, 0.0000976500000000 ] - [ -0.0000353300000000, 0.0002575500000000, -0.0001118900000000 ] - [ -0.0002127800000000, 0.0001317800000000, -0.0001040000000000 ] - [ -0.0002994500000000, -0.0004639500000000, -0.0000159700000000 ] - [ 0.0001715600000000, -0.0001245600000000, -0.0002341300000000 ] - [ -0.0000495000000000, -0.0002246000000000, 0.0000424200000000 ] - [ -0.0002185700000000, -0.0003650700000000, 0.0001154700000000 ] - [ 0.0001206500000000, 0.0000120400000000, -0.0002620800000000 ] - [ 0.0000631900000000, -0.0001824200000000, -0.0001083800000000 ] - [ -0.0001064700000000, -0.0003385100000000, -0.0004228900000000 ] - [ 0.0000739200000000, -0.0001209300000000, -0.0001636400000000 ] - [ -0.0017918600000000, -0.0004301100000000, 0.0003150700000000 ] - [ 0.0006804900000000, -0.0001356800000000, 0.0002439500000000 ] - [ 0.0001037200000000, -0.0001133300000000, 0.0000931500000000 ] - [ -0.0000729300000000, -0.0002578100000000, 0.0001276200000000 ] - [ -0.0074737500000000, -0.0255127100000000, 0.0610391700000000 ] - [ 0.0000654900000000, -0.0000352600000000, 0.0000567900000000 ] - [ -0.0000144100000000, -0.0000535100000000, -0.0001101500000000 ] - [ -0.0002158400000000, -0.0000685500000000, -0.0000713900000000 ] - [ 0.0001195500000000, -0.0000264200000000, 0.0000556500000000 ] - [ -0.0002836400000000, -0.0004498400000000, 0.0007864000000000 ] - [ -0.0000218600000000, -0.0000760500000000, 0.0000094300000000 ] - [ 0.0000493900000000, -0.0000149600000000, -0.0000836100000000 ] - [ 0.0006195000000000, 0.0000594200000000, -0.0001448000000000 ] - [ -0.0008289200000000, -0.0019163200000000, 0.0016509100000000 ] - [ 0.0002596400000000, 0.0000243500000000, -0.0002263500000000 ] - [ 0.0007772700000000, 0.0000997800000000, -0.0004475000000000 ] - [ -0.0010151500000000, 0.0008236700000000, 0.0000808100000000 ] - [ -0.0003579800000000, -0.0000886800000000, 0.0000764300000000 ] - [ -0.0004691300000000, -0.0001120700000000, -0.0000527700000000 ] - [ -0.0005195400000000, -0.0000014900000000, 0.0001305700000000 ] - [ 0.0001224600000000, -0.0005916300000000, -0.0000733500000000 ] - [ -0.0000639500000000, -0.0000745500000000, 0.0005193800000000 ] - [ -0.0001645900000000, 0.0001436200000000, -0.0000628000000000 ] - [ -0.0001392800000000, 0.0000395500000000, 0.0002528700000000 ] - [ -0.0006010300000000, 0.0007803500000000, 0.0005068300000000 ] - [ 0.0006879300000000, -0.0002022600000000, -0.0000248700000000 ] - [ 0.0002614400000000, 0.0000736700000000, -0.0002457700000000 ] - [ 0.0002122200000000, 0.0001367900000000, -0.0002372900000000 ] - [ -0.0001555400000000, -0.0002641800000000, 0.0001550500000000 ] - [ -0.0003238100000000, -0.0001048700000000, 0.0004624300000000 ] - [ -0.0003132800000000, -0.0002126800000000, 0.0001189200000000 ] - [ -0.0001646100000000, -0.0002250800000000, 0.0000566200000000 ] - [ -0.0321463000000000, 0.0010319000000000, 0.0080309100000000 ] - [ 0.0004683300000000, -0.0001200300000000, -0.0000864800000000 ] - [ 0.0004831700000000, -0.0002115600000000, -0.0003355100000000 ] - [ 0.0000954300000000, -0.0001506600000000, -0.0002362600000000 ] - [ 0.0003004700000000, -0.0001351200000000, 0.0000500800000000 ] - [ 0.0001983300000000, 0.0000747200000000, 0.0001022500000000 ] - [ -0.0009375100000000, -0.0005046800000000, 0.0009802500000000 ] - [ 0.0013900200000000, 0.0001803800000000, 0.0007261900000000 ] - [ -0.0003307600000000, 0.0001928900000000, -0.0002707000000000 ] - [ -0.0003724200000000, -0.0003186800000000, -0.0005020500000000 ] - [ -0.0003194000000000, 0.0001970600000000, -0.0002506400000000 ] - [ -0.0004948400000000, 0.0002814400000000, -0.0003606700000000 ] - [ 0.0004990800000000, -0.0047764000000000, -0.0001257700000000 ] - [ -0.0001923300000000, 0.0000186800000000, -0.0001046600000000 ] - [ -0.0001688900000000, 0.0001013300000000, 0.0003417400000000 ] - [ 0.0000964800000000, 0.0001659700000000, 0.0000254800000000 ] - [ -0.0003478300000000, 0.0002881700000000, -0.0000420000000000 ] - [ -0.0031928100000000, -0.0025896400000000, -0.0012818600000000 ] - [ -0.0000524100000000, 0.0000912300000000, 0.0000916000000000 ] - [ -0.0000339900000000, 0.0002248700000000, 0.0001653100000000 ] - [ -0.0005479400000000, -0.0003074500000000, 0.0000183400000000 ] - [ -0.0011432000000000, -0.0006781500000000, -0.0017134600000000 ] - [ -0.0001744900000000, -0.0000342000000000, 0.0001755400000000 ] - [ -0.0004603700000000, -0.0001073700000000, 0.0001019000000000 ] - [ 0.0043653500000000, 0.0001046300000000, -0.0026419900000000 ] - [ 0.0000683700000000, -0.0000948500000000, -0.0001183300000000 ] - [ 0.0003309400000000, -0.0000560900000000, 0.0002340300000000 ] - [ 0.0005129900000000, -0.0001456900000000, -0.0000503200000000 ] - [ 0.0052923000000000, 0.0014183500000000, 0.0012343500000000 ] - [ -0.0002465600000000, 0.0001984400000000, 0.0003489300000000 ] - [ 0.0000256600000000, 0.0001094600000000, 0.0005804600000000 ] - [ 0.0006266000000000, 0.0003486300000000, 0.0008327300000000 ] - [ -0.0002675900000000, 0.0004032400000000, -0.0002960600000000 ] - [ -0.0001949900000000, 0.0002574600000000, -0.0005746300000000 ] - [ 0.0003832000000000, 0.0002685800000000, -0.0002171100000000 ] - [ -0.0002819600000000, 0.0001848500000000, -0.0002502500000000 ] - [ -0.0002710700000000, -0.0001981700000000, -0.0004080900000000 ] - [ -0.0037551000000000, 0.0019025300000000, 0.0026298400000000 ] - [ -0.0002517900000000, -0.0000663400000000, -0.0001722200000000 ] - [ -0.0003579400000000, -0.0000603100000000, 0.0002172300000000 ] - [ 0.0005924400000000, 0.0003145100000000, 0.0001888300000000 ] - [ -0.0000142800000000, 0.0000578800000000, 0.0002037500000000 ] - [ -0.0000294200000000, -0.0000350900000000, 0.0006473100000000 ] - [ 0.0000603000000000, 0.0003116000000000, 0.0001591700000000 ]- atom: 25 displacement: [ 0.0045549923526468, 0.0000000000000000, -0.0089023617466001 ] forces: - [ 0.0001123300000000, -0.0000619900000000, -0.0005536900000000 ] - [ -0.0037863800000000, -0.0044731800000000, -0.0046520600000000 ] - [ -0.0012554700000000, -0.0001259800000000, 0.0001686400000000 ] - [ -0.0001767900000000, -0.0000736000000000, -0.0007807300000000 ] - [ -0.0003445900000000, -0.0006464400000000, -0.0001367200000000 ] - [ 0.0004184900000000, 0.0001330100000000, -0.0001594300000000 ] - [ 0.0001745900000000, 0.0000494900000000, 0.0000878800000000 ] - [ -0.0003087800000000, -0.0004010800000000, -0.0003685800000000 ] - [ -0.0001511500000000, 0.0001304900000000, 0.0000302600000000 ] - [ -0.0000347000000000, 0.0000310500000000, 0.0002412100000000 ] - [ -0.0001395700000000, -0.0004809900000000, 0.0001717800000000 ] - [ 0.0000094800000000, -0.0000113500000000, 0.0001861000000000 ] - [ -0.0007423600000000, -0.0012728600000000, 0.0000421100000000 ] - [ 0.0006732000000000, -0.0001323100000000, 0.0002131400000000 ] - [ 0.0004918900000000, -0.0000238700000000, -0.0001406000000000 ] - [ 0.0001982500000000, -0.0001236900000000, 0.0000802000000000 ] - [ -0.0011229900000000, -0.0002907700000000, 0.0000914000000000 ] - [ 0.0007419700000000, -0.0004445900000000, -0.0000477500000000 ] - [ 0.0004010000000000, -0.0002775700000000, 0.0000361300000000 ] - [ 0.0002260000000000, -0.0001421200000000, -0.0000162200000000 ] - [ 0.0028475000000000, -0.0014734900000000, -0.0036711700000000 ] - [ 0.0005853500000000, 0.0000836100000000, 0.0003230800000000 ] - [ -0.0004462700000000, -0.0005341800000000, -0.0008948700000000 ] - [ 0.0002866800000000, 0.0000973600000000, 0.0003782100000000 ] - [ -0.0451833800000000, -0.0084302900000000, 0.0946873300000000 ] - [ 0.0003034300000000, -0.0000919200000000, 0.0004229100000000 ] - [ 0.0003514300000000, -0.0001227700000000, 0.0002039600000000 ] - [ -0.0000878700000000, -0.0000654500000000, 0.0003492800000000 ] - [ -0.0001037900000000, -0.0001219100000000, -0.0003453800000000 ] - [ -0.0003438400000000, -0.0010531000000000, -0.0002533600000000 ] - [ -0.0002250900000000, -0.0002376800000000, -0.0002986800000000 ] - [ -0.0001472500000000, -0.0001686700000000, -0.0004560300000000 ] - [ 0.0004721500000000, 0.0000017300000000, -0.0000409900000000 ] - [ -0.0003518500000000, 0.0002732100000000, -0.0001442200000000 ] - [ -0.0002342500000000, 0.0001611700000000, 0.0000270800000000 ] - [ 0.0000191900000000, 0.0001781000000000, -0.0000278500000000 ] - [ -0.0000484300000000, 0.0003490000000000, 0.0007536000000000 ] - [ 0.0004181500000000, 0.0000111200000000, 0.0005569000000000 ] - [ 0.0009270600000000, 0.0002955000000000, 0.0002634900000000 ] - [ -0.0004894300000000, 0.0000879900000000, 0.0001216000000000 ] - [ -0.0008568500000000, 0.0003873800000000, 0.0006071900000000 ] - [ -0.0008340700000000, -0.0005599100000000, -0.0027346700000000 ] - [ 0.0000119100000000, 0.0006634000000000, 0.0000215800000000 ] - [ 0.0001649700000000, 0.0002631700000000, 0.0002016300000000 ] - [ 0.0006514700000000, 0.0006490300000000, 0.0000294700000000 ] - [ -0.0003331500000000, 0.0002478300000000, 0.0000017100000000 ] - [ -0.0001200400000000, 0.0001922100000000, 0.0001193200000000 ] - [ -0.0000043900000000, 0.0002087300000000, 0.0000729300000000 ] - [ -0.0000252800000000, 0.0002305200000000, -0.0000602500000000 ] - [ 0.0004201700000000, -0.0001299400000000, -0.0008766600000000 ] - [ 0.0001640300000000, 0.0002860300000000, -0.0000428900000000 ] - [ 0.0000214100000000, 0.0001530600000000, 0.0001425200000000 ] - [ 0.0000858400000000, -0.0005493100000000, 0.0001267900000000 ] - [ 0.0000962100000000, -0.0002012200000000, -0.0002885600000000 ] - [ 0.0002906700000000, 0.0003920100000000, 0.0004796300000000 ] - [ 0.0000599700000000, -0.0002200400000000, -0.0001109600000000 ] - [ 0.0047787300000000, -0.0137354700000000, -0.0152985700000000 ] - [ -0.0002329200000000, 0.0000957200000000, -0.0000692400000000 ] - [ -0.0001361500000000, 0.0000798900000000, 0.0001397100000000 ] - [ 0.0000427500000000, 0.0002054200000000, 0.0001335000000000 ] - [ 0.0000528300000000, 0.0000702100000000, 0.0001879600000000 ] - [ -0.0004137900000000, -0.0002681500000000, 0.0004044000000000 ] - [ -0.0001945600000000, -0.0001715200000000, 0.0001289400000000 ] - [ -0.0000280200000000, -0.0000274000000000, 0.0000590700000000 ] - [ -0.0001109100000000, -0.0002313200000000, -0.0000353900000000 ] - [ -0.0000512600000000, -0.0000372300000000, -0.0001857000000000 ] - [ 0.0001143000000000, 0.0001172300000000, 0.0001300600000000 ] - [ -0.0000640200000000, -0.0000984800000000, -0.0001301500000000 ] - [ 0.0017657100000000, 0.0002232200000000, -0.0000561100000000 ] - [ -0.0006819900000000, -0.0000800400000000, 0.0000447100000000 ] - [ -0.0001109300000000, -0.0001053400000000, 0.0002002000000000 ] - [ 0.0000611500000000, 0.0000416600000000, 0.0001742200000000 ] - [ 0.0072009500000000, 0.0241185800000000, -0.0588884900000000 ] - [ -0.0001295400000000, -0.0000084800000000, -0.0000823400000000 ] - [ -0.0000522700000000, 0.0000096800000000, 0.0000841700000000 ] - [ 0.0001506000000000, 0.0000210800000000, 0.0000531600000000 ] - [ -0.0000506200000000, -0.0000184400000000, -0.0000271800000000 ] - [ 0.0003509700000000, 0.0004003400000000, -0.0007599000000000 ] - [ 0.0000904300000000, 0.0000318100000000, 0.0000201300000000 ] - [ 0.0000188900000000, -0.0000291100000000, 0.0001117000000000 ] - [ 0.0003315700000000, -0.0001799100000000, 0.0000080300000000 ] - [ 0.0017884300000000, 0.0018084000000000, -0.0018050700000000 ] - [ 0.0006896900000000, -0.0001494100000000, 0.0000896100000000 ] - [ 0.0001738700000000, -0.0002226200000000, 0.0003094800000000 ] - [ 0.0000602000000000, -0.0009152100000000, 0.0000652600000000 ] - [ -0.0005903700000000, -0.0000354800000000, 0.0000613800000000 ] - [ -0.0004806100000000, -0.0000124200000000, 0.0001902100000000 ] - [ -0.0004285500000000, -0.0001206700000000, 0.0000084100000000 ] - [ -0.0005698600000000, 0.0007438000000000, 0.0003629200000000 ] - [ -0.0003736900000000, 0.0002388200000000, -0.0002311000000000 ] - [ -0.0002791200000000, 0.0000169900000000, 0.0003479100000000 ] - [ -0.0003049600000000, 0.0001187800000000, 0.0000349400000000 ] - [ 0.0010390100000000, -0.0006326800000000, -0.0007957100000000 ] - [ -0.0002429600000000, 0.0003599400000000, -0.0002583600000000 ] - [ 0.0001842600000000, 0.0000852300000000, -0.0000382300000000 ] - [ 0.0002319100000000, 0.0000219100000000, -0.0000435000000000 ] - [ -0.0003689800000000, -0.0001282400000000, 0.0001125500000000 ] - [ -0.0002030500000000, -0.0002820900000000, -0.0001949000000000 ] - [ -0.0002095800000000, -0.0001798600000000, 0.0001492500000000 ] - [ -0.0003623200000000, -0.0001678600000000, 0.0002117000000000 ] - [ 0.0336336900000000, -0.0015320300000000, -0.0082813400000000 ] - [ 0.0000676300000000, -0.0002745300000000, -0.0001793800000000 ] - [ 0.0000420400000000, -0.0001812600000000, 0.0000698800000000 ] - [ 0.0004300600000000, -0.0002406600000000, -0.0000316500000000 ] - [ 0.0005025800000000, 0.0004691400000000, 0.0005290900000000 ] - [ 0.0006121500000000, 0.0002530000000000, 0.0004701900000000 ] - [ 0.0017235300000000, 0.0008451200000000, -0.0004200000000000 ] - [ -0.0005788900000000, 0.0001543600000000, -0.0001491800000000 ] - [ -0.0004796300000000, 0.0001385600000000, -0.0003054000000000 ] - [ -0.0004407900000000, 0.0006464000000000, -0.0000733100000000 ] - [ -0.0004880300000000, 0.0001345000000000, -0.0003252000000000 ] - [ -0.0003210300000000, 0.0000483600000000, -0.0002156800000000 ] - [ -0.0004526200000000, 0.0050235400000000, 0.0001712400000000 ] - [ 0.0002344300000000, 0.0002174100000000, 0.0001277900000000 ] - [ 0.0002133800000000, 0.0001352700000000, -0.0003178700000000 ] - [ -0.0000523200000000, 0.0000695500000000, -0.0000035100000000 ] - [ 0.0003035700000000, -0.0000530500000000, 0.0000173700000000 ] - [ 0.0031383200000000, 0.0028071900000000, 0.0012602200000000 ] - [ 0.0000055800000000, 0.0001458100000000, -0.0001096300000000 ] - [ -0.0000078100000000, 0.0000102800000000, -0.0001883200000000 ] - [ -0.0002097600000000, 0.0000797600000000, -0.0000525000000000 ] - [ 0.0003897200000000, 0.0004627600000000, 0.0016998500000000 ] - [ -0.0005839500000000, -0.0001901400000000, -0.0002088600000000 ] - [ -0.0002962100000000, -0.0001173900000000, -0.0001362900000000 ] - [ -0.0036084800000000, -0.0003299800000000, 0.0026618400000000 ] - [ 0.0006876600000000, -0.0001307800000000, 0.0001531900000000 ] - [ 0.0004287300000000, -0.0001677900000000, -0.0001952800000000 ] - [ 0.0002439100000000, -0.0000813800000000, 0.0000801500000000 ] - [ -0.0050950400000000, -0.0009977000000000, -0.0004687200000000 ] - [ 0.0004275900000000, 0.0001946600000000, 0.0004131900000000 ] - [ 0.0001589300000000, 0.0002800300000000, 0.0001835000000000 ] - [ -0.0004545800000000, 0.0000451200000000, -0.0000866000000000 ] - [ 0.0000850700000000, -0.0000079200000000, -0.0004645800000000 ] - [ 0.0000125200000000, 0.0001292000000000, -0.0001831600000000 ] - [ -0.0005668200000000, 0.0001229600000000, -0.0005462800000000 ] - [ 0.0001000100000000, 0.0002084300000000, -0.0005108500000000 ] - [ 0.0000333700000000, 0.0002355500000000, -0.0001457900000000 ] - [ 0.0034920800000000, -0.0018349800000000, -0.0031576500000000 ] - [ 0.0000093200000000, 0.0001005000000000, -0.0003803700000000 ] - [ 0.0001302600000000, 0.0000974400000000, -0.0007792300000000 ] - [ -0.0003497100000000, -0.0002788100000000, 0.0003682900000000 ] - [ 0.0002498400000000, -0.0000189100000000, 0.0003499400000000 ] - [ 0.0002697400000000, 0.0000712400000000, -0.0000946100000000 ] - [ 0.0001779900000000, -0.0002740700000000, 0.0003951100000000 ]- atom: 33 displacement: [ 0.0099999730884809, 0.0000000000000000, -0.0000231997770880 ] forces: - [ -0.0005571200000000, -0.0001203200000000, 0.0000873500000000 ] - [ -0.0005617500000000, -0.0000649700000000, -0.0005766900000000 ] - [ 0.0002383700000000, 0.0000163500000000, -0.0004038800000000 ] - [ -0.0007170500000000, -0.0000920800000000, -0.0000057100000000 ] - [ 0.0000084300000000, -0.0003694800000000, -0.0002083500000000 ] - [ -0.0002728800000000, -0.0000714400000000, -0.0002653100000000 ] - [ -0.0000596700000000, -0.0000044800000000, -0.0001348600000000 ] - [ 0.0002666300000000, 0.0000379200000000, -0.0002410700000000 ] - [ 0.0011436100000000, 0.0001370100000000, -0.0004393700000000 ] - [ -0.0000973400000000, 0.0000762300000000, 0.0002582300000000 ] - [ 0.0009726000000000, 0.0012812100000000, -0.0021372500000000 ] - [ -0.0046868100000000, -0.0005461600000000, 0.0015821200000000 ] - [ 0.0253929300000000, 0.0081393900000000, -0.0107533700000000 ] - [ -0.0001688400000000, -0.0000406000000000, 0.0003281300000000 ] - [ -0.0000712900000000, -0.0005954500000000, 0.0006390900000000 ] - [ 0.0004982000000000, -0.0000511500000000, 0.0000971900000000 ] - [ 0.0170039200000000, -0.0029027800000000, 0.0103886500000000 ] - [ -0.0005749100000000, -0.0002042900000000, 0.0001688200000000 ] - [ 0.0001674900000000, -0.0000370100000000, 0.0002710800000000 ] - [ 0.0006039700000000, -0.0003537000000000, 0.0000193600000000 ] - [ 0.0002697100000000, -0.0004762400000000, -0.0001778900000000 ] - [ -0.0005835900000000, -0.0001675400000000, 0.0000490600000000 ] - [ 0.0000485000000000, -0.0003407000000000, 0.0000739800000000 ] - [ -0.0005391600000000, -0.0001348300000000, -0.0002538600000000 ] - [ 0.0011105600000000, -0.0006138300000000, 0.0001318900000000 ] - [ -0.0000274200000000, -0.0000208500000000, 0.0004762200000000 ] - [ 0.0000209600000000, -0.0000773800000000, 0.0003688200000000 ] - [ 0.0003687700000000, -0.0001642400000000, 0.0002617600000000 ] - [ 0.0002556300000000, -0.0004390500000000, 0.0000893200000000 ] - [ 0.0005151700000000, 0.0009235500000000, -0.0002868300000000 ] - [ -0.0001573300000000, -0.0002958800000000, -0.0012186600000000 ] - [ -0.0004499000000000, 0.0000248900000000, 0.0002256500000000 ] - [ -0.0549409700000000, 0.0038760900000000, 0.0053489000000000 ] - [ 0.0000818300000000, 0.0001062500000000, -0.0000449600000000 ] - [ 0.0004284200000000, 0.0005047900000000, -0.0002770800000000 ] - [ -0.0001654700000000, 0.0002101000000000, -0.0000877600000000 ] - [ 0.0002885300000000, 0.0001119500000000, -0.0001357200000000 ] - [ 0.0000197200000000, 0.0002590500000000, 0.0001785900000000 ] - [ -0.0003192100000000, 0.0002593900000000, 0.0000558700000000 ] - [ 0.0004305700000000, 0.0001096900000000, 0.0001057800000000 ] - [ 0.0001285800000000, 0.0002718300000000, -0.0000905900000000 ] - [ 0.0003830200000000, 0.0002296000000000, 0.0001723500000000 ] - [ -0.0002655000000000, 0.0001542800000000, -0.0000935900000000 ] - [ 0.0003134200000000, 0.0001219000000000, 0.0000372600000000 ] - [ -0.0051754400000000, 0.0000657100000000, 0.0023319700000000 ] - [ 0.0005271200000000, 0.0002975900000000, -0.0002524700000000 ] - [ -0.0000752000000000, 0.0002781500000000, -0.0002272300000000 ] - [ -0.0002071800000000, 0.0002778600000000, 0.0002341300000000 ] - [ 0.0000509900000000, 0.0001372000000000, -0.0000394100000000 ] - [ 0.0009323600000000, 0.0002092400000000, -0.0002679200000000 ] - [ -0.0000344600000000, 0.0001603100000000, 0.0001680000000000 ] - [ 0.0002354800000000, 0.0001537900000000, -0.0001371100000000 ] - [ -0.0000308900000000, -0.0001253200000000, -0.0000621200000000 ] - [ 0.0001737800000000, -0.0002161700000000, -0.0000282000000000 ] - [ 0.0002338000000000, 0.0010198100000000, -0.0014686300000000 ] - [ 0.0015362900000000, -0.0010360200000000, 0.0001458900000000 ] - [ -0.0007150000000000, 0.0006457300000000, 0.0003964200000000 ] - [ 0.0001715900000000, 0.0000099900000000, -0.0001863100000000 ] - [ 0.0000624300000000, 0.0001500700000000, -0.0000796300000000 ] - [ -0.0002797300000000, 0.0000990200000000, 0.0000529100000000 ] - [ -0.0002779100000000, 0.0005690200000000, 0.0006911300000000 ] - [ 0.0002015000000000, -0.0002446200000000, 0.0000759200000000 ] - [ -0.0000610200000000, -0.0002442600000000, -0.0000184800000000 ] - [ -0.0001650700000000, -0.0002537900000000, 0.0001783800000000 ] - [ -0.0001116400000000, -0.0013339800000000, -0.0026100700000000 ] - [ -0.0000459400000000, -0.0002961900000000, -0.0003749100000000 ] - [ 0.0002462500000000, 0.0001742700000000, -0.0023550200000000 ] - [ 0.0008909100000000, 0.0003394200000000, 0.0001587700000000 ] - [ -0.0003137300000000, -0.0003396300000000, 0.0002252500000000 ] - [ 0.0002215200000000, -0.0001356700000000, 0.0001305800000000 ] - [ 0.0000695600000000, -0.0001482200000000, 0.0000558700000000 ] - [ -0.0000864000000000, -0.0000987600000000, 0.0001935100000000 ] - [ -0.0002618100000000, -0.0001065100000000, 0.0002317900000000 ] - [ 0.0001680700000000, -0.0001405700000000, -0.0001444500000000 ] - [ 0.0000276600000000, -0.0000492800000000, -0.0000667000000000 ] - [ -0.0001197500000000, -0.0000635000000000, 0.0000602700000000 ] - [ 0.0000687400000000, 0.0000521300000000, 0.0000551100000000 ] - [ 0.0017377700000000, 0.0003039800000000, 0.0008395200000000 ] - [ 0.0003589500000000, -0.0000446700000000, 0.0001060500000000 ] - [ 0.0001249300000000, -0.0002033900000000, -0.0003204800000000 ] - [ 0.0005698500000000, -0.0000246000000000, -0.0001566500000000 ] - [ 0.0004099800000000, -0.0000242800000000, -0.0000306200000000 ] - [ 0.0002259700000000, -0.0002041200000000, 0.0001836800000000 ] - [ 0.0007378400000000, 0.0000239300000000, -0.0001861000000000 ] - [ 0.0008085300000000, -0.0047787400000000, -0.0027134900000000 ] - [ -0.0002127600000000, 0.0000094500000000, -0.0001011900000000 ] - [ -0.0004165900000000, -0.0001005500000000, -0.0000806100000000 ] - [ -0.0004957800000000, 0.0000043300000000, 0.0002185500000000 ] - [ -0.0009602900000000, 0.0009035700000000, 0.0000958800000000 ] - [ -0.0001179100000000, 0.0000587400000000, 0.0001653300000000 ] - [ -0.0002779600000000, 0.0001687400000000, -0.0000444300000000 ] - [ -0.0001674900000000, 0.0000978400000000, 0.0002549000000000 ] - [ 0.0010227100000000, -0.0049039200000000, -0.0013381000000000 ] - [ 0.0004556700000000, 0.0000266200000000, -0.0001079700000000 ] - [ 0.0001690700000000, 0.0000890700000000, -0.0004291300000000 ] - [ 0.0002478200000000, 0.0001853500000000, 0.0000884700000000 ] - [ -0.0004619600000000, 0.0002550400000000, -0.0005302500000000 ] - [ 0.0015533700000000, -0.0005620000000000, 0.0006643700000000 ] - [ -0.0012914700000000, -0.0003284000000000, 0.0003292800000000 ] - [ 0.0004620600000000, -0.0000195500000000, 0.0001836600000000 ] - [ -0.0004983100000000, -0.0003362300000000, -0.0000809000000000 ] - [ 0.0005785500000000, -0.0002488000000000, -0.0002043400000000 ] - [ 0.0004138800000000, -0.0001419000000000, -0.0002308500000000 ] - [ 0.0001185500000000, -0.0003179300000000, -0.0000348100000000 ] - [ 0.0002408300000000, 0.0000926300000000, 0.0003219100000000 ] - [ 0.0005548200000000, 0.0001695500000000, 0.0002607400000000 ] - [ 0.0008116100000000, -0.0001176400000000, 0.0002969300000000 ] - [ 0.0004754600000000, 0.0001349300000000, 0.0003173000000000 ] - [ 0.0066643400000000, -0.0016326100000000, 0.0025840000000000 ] - [ 0.0015673300000000, 0.0006938400000000, -0.0001736600000000 ] - [ -0.0004188600000000, 0.0001836100000000, -0.0003152900000000 ] - [ -0.0006318400000000, 0.0003317800000000, -0.0001512100000000 ] - [ 0.0018531200000000, 0.0008489800000000, 0.0006393600000000 ] - [ -0.0001853300000000, 0.0000432900000000, 0.0000671400000000 ] - [ -0.0007143000000000, -0.0001467000000000, 0.0008781100000000 ] - [ 0.0002598200000000, 0.0006153200000000, -0.0015158600000000 ] - [ -0.0002255500000000, 0.0000313700000000, 0.0000597100000000 ] - [ -0.0004907000000000, 0.0005429800000000, -0.0002454100000000 ] - [ 0.0000564400000000, 0.0001752900000000, 0.0001264200000000 ] - [ -0.0000599700000000, 0.0001150700000000, -0.0000651500000000 ] - [ -0.0009027200000000, -0.0002104600000000, 0.0005042700000000 ] - [ -0.0006432100000000, -0.0003778900000000, -0.0001634900000000 ] - [ 0.0004572100000000, -0.0002019500000000, -0.0000377400000000 ] - [ -0.0008904800000000, -0.0000636500000000, -0.0002569000000000 ] - [ 0.0023782800000000, -0.0016124900000000, -0.0004717500000000 ] - [ 0.0000775800000000, -0.0001020500000000, 0.0000402200000000 ] - [ 0.0003024300000000, -0.0001037400000000, 0.0001869800000000 ] - [ 0.0004414500000000, -0.0001106500000000, -0.0001029000000000 ] - [ 0.0013563000000000, 0.0005160300000000, -0.0000460200000000 ] - [ -0.0003945300000000, 0.0002594200000000, 0.0006528900000000 ] - [ -0.0000278800000000, 0.0002031000000000, 0.0005444900000000 ] - [ 0.0001292100000000, 0.0002321100000000, 0.0002820000000000 ] - [ -0.0001760900000000, 0.0001576100000000, -0.0003446200000000 ] - [ -0.0000748700000000, 0.0002979200000000, -0.0004650200000000 ] - [ 0.0010509300000000, 0.0000529500000000, -0.0001421900000000 ] - [ -0.0005185900000000, 0.0000018500000000, -0.0002437000000000 ] - [ -0.0004020300000000, 0.0011947500000000, -0.0001625200000000 ] - [ -0.0005594200000000, -0.0003821300000000, -0.0005858900000000 ] - [ -0.0001421600000000, 0.0000015000000000, -0.0002147900000000 ] - [ -0.0000115200000000, 0.0001279200000000, -0.0002560700000000 ] - [ 0.0008234300000000, -0.0000325700000000, -0.0001838400000000 ] - [ 0.0000032400000000, 0.0000074400000000, 0.0002768400000000 ] - [ -0.0009190600000000, 0.0003885200000000, 0.0010231400000000 ] - [ 0.0001900800000000, -0.0006867100000000, -0.0001081100000000 ]- atom: 33 displacement: [ -0.0099999730884809, 0.0000000000000000, 0.0000231997770880 ] forces: - [ -0.0002291300000000, -0.0000708000000000, -0.0003832000000000 ] - [ -0.0002257300000000, -0.0001216300000000, 0.0002788400000000 ] - [ -0.0010208100000000, -0.0002077400000000, 0.0001018600000000 ] - [ -0.0000726300000000, -0.0000959600000000, -0.0002948400000000 ] - [ 0.0001510100000000, 0.0003775500000000, -0.0001569600000000 ] - [ 0.0004353500000000, 0.0000856400000000, -0.0001049800000000 ] - [ 0.0002205000000000, 0.0000164900000000, -0.0002346500000000 ] - [ -0.0001037800000000, -0.0000246900000000, -0.0001317100000000 ] - [ -0.0012844800000000, -0.0001215100000000, 0.0007949700000000 ] - [ -0.0000622400000000, -0.0000669300000000, 0.0001079200000000 ] - [ -0.0011232000000000, -0.0012775100000000, 0.0025030200000000 ] - [ 0.0045002800000000, 0.0005514900000000, -0.0011910700000000 ] - [ -0.0254374800000000, -0.0086758200000000, 0.0120279400000000 ] - [ 0.0009547600000000, -0.0001456300000000, -0.0000377300000000 ] - [ 0.0008483300000000, 0.0003960400000000, -0.0003318200000000 ] - [ 0.0002882000000000, -0.0001352800000000, 0.0002026100000000 ] - [ -0.0158875100000000, 0.0021285200000000, -0.0097322700000000 ] - [ 0.0012197800000000, -0.0002202100000000, -0.0000279300000000 ] - [ 0.0004863100000000, -0.0003929500000000, -0.0001300500000000 ] - [ 0.0000517800000000, -0.0000809200000000, 0.0001230000000000 ] - [ -0.0009256800000000, 0.0000491900000000, 0.0000294400000000 ] - [ -0.0000713300000000, -0.0002700600000000, -0.0001915500000000 ] - [ -0.0007027400000000, -0.0000938300000000, -0.0002160900000000 ] - [ -0.0001187600000000, -0.0002998200000000, 0.0001093900000000 ] - [ -0.0006963800000000, 0.0003065200000000, 0.0005213200000000 ] - [ 0.0004380200000000, -0.0002828900000000, 0.0001848000000000 ] - [ 0.0003897400000000, -0.0002252600000000, 0.0002906800000000 ] - [ 0.0000431700000000, -0.0001388800000000, 0.0003982900000000 ] - [ -0.0006620200000000, 0.0001344800000000, -0.0007475300000000 ] - [ -0.0010136200000000, -0.0012053700000000, -0.0004284000000000 ] - [ -0.0002509300000000, -0.0000056100000000, 0.0005581200000000 ] - [ 0.0000378700000000, -0.0003255500000000, -0.0008834800000000 ] - [ 0.0552153700000000, -0.0027815600000000, -0.0068649100000000 ] - [ -0.0003098400000000, 0.0002662900000000, -0.0001039500000000 ] - [ -0.0006484700000000, -0.0001242800000000, 0.0001103800000000 ] - [ -0.0000675900000000, 0.0001685500000000, -0.0000720500000000 ] - [ -0.0000577700000000, 0.0002630100000000, 0.0002912300000000 ] - [ 0.0002135700000000, 0.0001183200000000, -0.0000199700000000 ] - [ 0.0005478900000000, 0.0001192100000000, 0.0001034600000000 ] - [ -0.0001976200000000, 0.0002684200000000, 0.0000533900000000 ] - [ 0.0000603100000000, 0.0001740600000000, 0.0001154600000000 ] - [ -0.0001916300000000, 0.0002184500000000, -0.0001491400000000 ] - [ 0.0004549600000000, 0.0002914100000000, 0.0001162000000000 ] - [ -0.0001215500000000, 0.0003261300000000, -0.0000134700000000 ] - [ 0.0049485000000000, 0.0004034000000000, -0.0023992700000000 ] - [ -0.0007118200000000, 0.0001494100000000, 0.0002283900000000 ] - [ -0.0001182400000000, 0.0001704800000000, 0.0002037400000000 ] - [ 0.0000198000000000, 0.0001680700000000, -0.0002565200000000 ] - [ 0.0001198800000000, 0.0002010900000000, 0.0000108300000000 ] - [ -0.0007584500000000, 0.0001246800000000, 0.0002499600000000 ] - [ 0.0002038300000000, 0.0001772700000000, -0.0001945700000000 ] - [ -0.0000647700000000, 0.0001835100000000, 0.0001102300000000 ] - [ 0.0002726800000000, -0.0002695100000000, -0.0001071000000000 ] - [ 0.0000718100000000, -0.0001789800000000, -0.0001436800000000 ] - [ 0.0000125700000000, -0.0014222300000000, 0.0012930100000000 ] - [ -0.0012819000000000, 0.0006317100000000, -0.0003155200000000 ] - [ 0.0005404900000000, -0.0002952400000000, -0.0003622700000000 ] - [ -0.0003421700000000, 0.0003270800000000, 0.0002126300000000 ] - [ -0.0002329100000000, 0.0001873300000000, 0.0001060500000000 ] - [ 0.0001079800000000, 0.0002385000000000, -0.0000251600000000 ] - [ 0.0000300000000000, -0.0009524500000000, -0.0005162600000000 ] - [ -0.0004449300000000, -0.0001506300000000, 0.0000957700000000 ] - [ -0.0001839000000000, -0.0001508600000000, 0.0001891500000000 ] - [ -0.0000782700000000, -0.0001426700000000, -0.0000042200000000 ] - [ 0.0000876200000000, 0.0010973300000000, 0.0022853000000000 ] - [ 0.0000549000000000, 0.0000808200000000, 0.0000883000000000 ] - [ -0.0002370600000000, -0.0003788400000000, 0.0020609700000000 ] - [ -0.0008713000000000, -0.0005530300000000, -0.0004486900000000 ] - [ 0.0003017500000000, 0.0001175600000000, 0.0000701200000000 ] - [ -0.0002306700000000, -0.0000832300000000, 0.0001627100000000 ] - [ -0.0000800700000000, -0.0000708600000000, 0.0002371600000000 ] - [ 0.0000755200000000, -0.0001203400000000, 0.0001013300000000 ] - [ 0.0001999800000000, 0.0000546200000000, -0.0002568500000000 ] - [ -0.0002338800000000, 0.0000945400000000, 0.0001182900000000 ] - [ -0.0000940100000000, 0.0000026100000000, 0.0000419400000000 ] - [ 0.0000530100000000, 0.0000172500000000, -0.0000850200000000 ] - [ 0.0000007800000000, -0.0000982100000000, -0.0000293700000000 ] - [ -0.0016781100000000, -0.0003515400000000, -0.0008201800000000 ] - [ -0.0002913500000000, -0.0000034300000000, -0.0000859700000000 ] - [ -0.0000576300000000, 0.0001531200000000, 0.0003395700000000 ] - [ 0.0003802000000000, -0.0000995500000000, 0.0000186400000000 ] - [ 0.0005417300000000, -0.0001032100000000, -0.0001039500000000 ] - [ 0.0007230700000000, 0.0000830700000000, -0.0003211700000000 ] - [ 0.0002131000000000, -0.0001477200000000, 0.0000482200000000 ] - [ -0.0017810000000000, 0.0046529500000000, 0.0028629000000000 ] - [ -0.0007364400000000, -0.0001334000000000, 0.0002376800000000 ] - [ -0.0005340800000000, -0.0000226100000000, 0.0002182300000000 ] - [ -0.0004539800000000, -0.0001287800000000, -0.0000817400000000 ] - [ 0.0005043900000000, -0.0007520300000000, 0.0001980100000000 ] - [ -0.0003260800000000, 0.0000953300000000, 0.0001223300000000 ] - [ -0.0001674400000000, -0.0000097700000000, 0.0003304000000000 ] - [ -0.0002774500000000, 0.0000602900000000, 0.0000321500000000 ] - [ -0.0005687900000000, 0.0050214300000000, 0.0010553800000000 ] - [ -0.0000095500000000, 0.0001299200000000, -0.0001770800000000 ] - [ 0.0002748700000000, 0.0000714400000000, 0.0001434600000000 ] - [ 0.0001973300000000, -0.0000273600000000, -0.0003723900000000 ] - [ -0.0000526300000000, -0.0006431600000000, 0.0008032100000000 ] - [ -0.0021405100000000, 0.0001662900000000, -0.0003997900000000 ] - [ 0.0007587000000000, -0.0000673800000000, -0.0000633500000000 ] - [ -0.0009844600000000, -0.0003735400000000, 0.0000832900000000 ] - [ 0.0010219200000000, -0.0000573700000000, -0.0001857500000000 ] - [ -0.0000506800000000, -0.0001454400000000, -0.0000631000000000 ] - [ 0.0001131200000000, -0.0002514700000000, -0.0000365300000000 ] - [ 0.0004078100000000, -0.0000766500000000, -0.0002318900000000 ] - [ 0.0005702700000000, 0.0002368000000000, 0.0002574000000000 ] - [ 0.0002590100000000, 0.0001624800000000, 0.0003169400000000 ] - [ -0.0000027000000000, 0.0004507900000000, 0.0002814700000000 ] - [ 0.0003389800000000, 0.0001971400000000, 0.0002603800000000 ] - [ -0.0074275500000000, 0.0019682900000000, -0.0031543200000000 ] - [ -0.0023709700000000, -0.0003518500000000, -0.0004060300000000 ] - [ -0.0003897500000000, 0.0001469400000000, -0.0002644400000000 ] - [ -0.0001834100000000, 0.0000007900000000, -0.0004242400000000 ] - [ -0.0017986800000000, -0.0006216900000000, -0.0006140500000000 ] - [ 0.0002278800000000, 0.0001939900000000, -0.0000456900000000 ] - [ 0.0007560000000000, 0.0003813600000000, -0.0008522200000000 ] - [ -0.0002108000000000, -0.0003795200000000, 0.0015360700000000 ] - [ 0.0001803300000000, 0.0002007900000000, -0.0000794300000000 ] - [ 0.0004432900000000, -0.0003080300000000, 0.0002270100000000 ] - [ -0.0001006200000000, 0.0000617700000000, -0.0001476600000000 ] - [ 0.0000160000000000, 0.0001212100000000, 0.0000432900000000 ] - [ 0.0001422400000000, -0.0000152100000000, -0.0005368100000000 ] - [ -0.0001180700000000, 0.0001537000000000, 0.0001297300000000 ] - [ -0.0012123100000000, -0.0000239400000000, -0.0000007600000000 ] - [ 0.0001298200000000, -0.0001617500000000, 0.0002187200000000 ] - [ -0.0015963200000000, 0.0013795600000000, 0.0005067300000000 ] - [ 0.0006782700000000, -0.0001244800000000, -0.0000047900000000 ] - [ 0.0004555500000000, -0.0001218000000000, -0.0001510200000000 ] - [ 0.0003150700000000, -0.0001145100000000, 0.0001369700000000 ] - [ -0.0011652100000000, -0.0001189700000000, 0.0008052400000000 ] - [ 0.0005748900000000, 0.0001341000000000, 0.0001101900000000 ] - [ 0.0002094500000000, 0.0001899800000000, 0.0002177900000000 ] - [ 0.0000523300000000, 0.0001605700000000, 0.0004772700000000 ] - [ -0.0000035000000000, 0.0002324800000000, -0.0004183700000000 ] - [ -0.0001142700000000, 0.0000936300000000, -0.0003023400000000 ] - [ -0.0012319900000000, 0.0003373200000000, -0.0006209700000000 ] - [ 0.0003342200000000, 0.0003890400000000, -0.0005182700000000 ] - [ 0.0001594200000000, -0.0011593700000000, -0.0003951400000000 ] - [ 0.0003176500000000, 0.0004159600000000, 0.0000303800000000 ] - [ -0.0000974400000000, 0.0000345000000000, -0.0003404400000000 ] - [ -0.0002257500000000, -0.0000906600000000, -0.0003002700000000 ] - [ -0.0005884800000000, 0.0000792900000000, 0.0007004900000000 ] - [ 0.0002337100000000, 0.0000275300000000, 0.0002798600000000 ] - [ 0.0011576700000000, -0.0003480300000000, -0.0004664200000000 ] - [ 0.0000487100000000, 0.0007210500000000, 0.0006612000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004773300000000, -0.0001169200000000, -0.0002718200000000 ] - [ -0.0004196000000000, -0.0003582800000000, -0.0000415200000000 ] - [ -0.0003208700000000, -0.0003452500000000, -0.0002050000000000 ] - [ -0.0003790500000000, -0.0001185800000000, -0.0000940700000000 ] - [ 0.0001873400000000, -0.0009085900000000, -0.0000727900000000 ] - [ 0.0001375100000000, -0.0000464800000000, -0.0001954300000000 ] - [ 0.0000880800000000, 0.0000065300000000, -0.0001808600000000 ] - [ 0.0001273800000000, -0.0000741300000000, -0.0001409200000000 ] - [ 0.0004362600000000, 0.0004816200000000, 0.0003151500000000 ] - [ -0.0000154800000000, 0.0000623100000000, 0.0002304300000000 ] - [ -0.0010955900000000, 0.0006106300000000, -0.0005373300000000 ] - [ 0.0015642400000000, 0.0001556100000000, -0.0001493800000000 ] - [ 0.0109008200000000, 0.0129321100000000, -0.0080567000000000 ] - [ 0.0005943800000000, 0.0000221000000000, -0.0001517200000000 ] - [ 0.0001556900000000, -0.0002861100000000, 0.0004842800000000 ] - [ 0.0004026900000000, -0.0002432200000000, 0.0004638900000000 ] - [ -0.0050441800000000, 0.0067178800000000, -0.0052807000000000 ] - [ 0.0003880200000000, -0.0000195300000000, -0.0002613000000000 ] - [ 0.0002779200000000, -0.0002689200000000, 0.0002335600000000 ] - [ 0.0002657600000000, -0.0002744700000000, 0.0001635800000000 ] - [ -0.0001759700000000, -0.0007583400000000, -0.0001476700000000 ] - [ -0.0003326500000000, -0.0001943400000000, -0.0000620100000000 ] - [ -0.0002504200000000, -0.0003200400000000, -0.0000468000000000 ] - [ -0.0004383100000000, -0.0002671000000000, -0.0001832600000000 ] - [ 0.0003413100000000, -0.0008262000000000, 0.0006180200000000 ] - [ 0.0002531000000000, -0.0002667400000000, 0.0002609700000000 ] - [ 0.0001718400000000, -0.0001538400000000, 0.0003457000000000 ] - [ 0.0001847700000000, -0.0001954100000000, 0.0003327600000000 ] - [ -0.0003555100000000, -0.0001725900000000, -0.0002229600000000 ] - [ 0.0008138400000000, -0.0000821000000000, 0.0000036000000000 ] - [ -0.0002677600000000, 0.0000494100000000, -0.0002433100000000 ] - [ -0.0001627200000000, -0.0000963300000000, -0.0004234500000000 ] - [ 0.0032166600000000, -0.0380635500000000, 0.0162728300000000 ] - [ -0.0001947800000000, 0.0000353700000000, 0.0002279200000000 ] - [ 0.0002011500000000, 0.0002443800000000, -0.0004328700000000 ] - [ -0.0000945800000000, 0.0002581900000000, -0.0002442300000000 ] - [ 0.0001906300000000, 0.0002854100000000, 0.0002139200000000 ] - [ 0.0000435100000000, 0.0001680900000000, 0.0000396500000000 ] - [ 0.0000437900000000, 0.0002834900000000, 0.0001057000000000 ] - [ 0.0001945900000000, 0.0002462600000000, 0.0001139600000000 ] - [ 0.0002750000000000, 0.0004154100000000, -0.0000556900000000 ] - [ 0.0001840000000000, 0.0003365100000000, 0.0000611000000000 ] - [ 0.0000291800000000, 0.0003218700000000, 0.0000769400000000 ] - [ 0.0000580600000000, 0.0002829400000000, 0.0000072500000000 ] - [ 0.0021569700000000, 0.0009297600000000, -0.0048710500000000 ] - [ -0.0002006100000000, 0.0001446400000000, 0.0001252500000000 ] - [ -0.0000661400000000, 0.0002709600000000, -0.0001685700000000 ] - [ -0.0001047100000000, 0.0002445900000000, -0.0001974900000000 ] - [ 0.0000714100000000, 0.0001023400000000, 0.0000105800000000 ] - [ -0.0010378000000000, 0.0003298500000000, -0.0003140100000000 ] - [ 0.0000651600000000, 0.0001175900000000, -0.0000011200000000 ] - [ 0.0000462700000000, 0.0001474500000000, -0.0000123600000000 ] - [ -0.0001978300000000, -0.0002233400000000, 0.0002002200000000 ] - [ 0.0001128200000000, -0.0002155500000000, -0.0001253700000000 ] - [ 0.0004409100000000, 0.0003948900000000, -0.0005480000000000 ] - [ -0.0003348900000000, -0.0000283100000000, -0.0001253200000000 ] - [ 0.0002853400000000, 0.0004145600000000, -0.0001559700000000 ] - [ -0.0002447100000000, 0.0002688500000000, 0.0001445500000000 ] - [ -0.0000778500000000, 0.0001818600000000, -0.0000305000000000 ] - [ -0.0000529900000000, 0.0002018100000000, -0.0000622100000000 ] - [ 0.0000144300000000, 0.0013596900000000, 0.0009867000000000 ] - [ -0.0002156700000000, -0.0001977500000000, 0.0001498700000000 ] - [ -0.0001224200000000, -0.0002054500000000, 0.0000335100000000 ] - [ -0.0002027200000000, -0.0001051300000000, -0.0000381000000000 ] - [ -0.0002543800000000, -0.0007851300000000, -0.0006316100000000 ] - [ 0.0000420500000000, -0.0001518200000000, -0.0001626100000000 ] - [ 0.0005870100000000, -0.0004395700000000, -0.0008943500000000 ] - [ -0.0002689500000000, -0.0002752800000000, -0.0002371200000000 ] - [ 0.0005808100000000, 0.0004620700000000, 0.0002199200000000 ] - [ -0.0000366300000000, -0.0000640700000000, 0.0001833100000000 ] - [ 0.0000103000000000, -0.0001047200000000, 0.0001281100000000 ] - [ 0.0000067700000000, -0.0000740300000000, 0.0001084800000000 ] - [ -0.0009091700000000, 0.0007474500000000, 0.0001287600000000 ] - [ -0.0001038100000000, 0.0001009600000000, 0.0000594500000000 ] - [ -0.0000370600000000, -0.0000207400000000, -0.0000068000000000 ] - [ -0.0000596700000000, -0.0000181800000000, -0.0000315700000000 ] - [ 0.0000039000000000, -0.0000370900000000, 0.0000666000000000 ] - [ -0.0005553900000000, -0.0005026000000000, 0.0000539800000000 ] - [ -0.0002941000000000, -0.0001878400000000, -0.0002093900000000 ] - [ -0.0000670000000000, -0.0000504300000000, 0.0000788800000000 ] - [ 0.0004794700000000, 0.0000105900000000, -0.0000632500000000 ] - [ 0.0006768800000000, 0.0002130100000000, -0.0001379100000000 ] - [ 0.0004572700000000, 0.0001300100000000, -0.0001642300000000 ] - [ 0.0004582700000000, -0.0000311100000000, -0.0000815800000000 ] - [ -0.0035936900000000, -0.0037598300000000, 0.0014765100000000 ] - [ -0.0005257500000000, -0.0000997800000000, 0.0001311500000000 ] - [ -0.0003738900000000, -0.0001241000000000, -0.0000578000000000 ] - [ -0.0005217600000000, -0.0000755500000000, -0.0000411200000000 ] - [ -0.0000325100000000, 0.0008416000000000, -0.0002763600000000 ] - [ -0.0002178800000000, 0.0001238700000000, 0.0001359900000000 ] - [ -0.0001853700000000, 0.0001884100000000, 0.0000900600000000 ] - [ -0.0002337100000000, 0.0000791900000000, 0.0001278300000000 ] - [ -0.0042666600000000, 0.0050706200000000, -0.0018919700000000 ] - [ 0.0002070500000000, 0.0000564600000000, -0.0000637400000000 ] - [ 0.0001973400000000, 0.0000890700000000, -0.0002369300000000 ] - [ 0.0001972100000000, 0.0000397000000000, -0.0002447400000000 ] - [ -0.0000819500000000, -0.0004696700000000, 0.0003516600000000 ] - [ -0.0017703500000000, -0.0000724600000000, -0.0001934200000000 ] - [ -0.0001379400000000, -0.0001961300000000, 0.0000971100000000 ] - [ -0.0003364600000000, -0.0002629000000000, 0.0000298500000000 ] - [ 0.0001339900000000, 0.0006821500000000, -0.0004580900000000 ] - [ 0.0002154000000000, -0.0001631900000000, -0.0000917600000000 ] - [ 0.0002821300000000, -0.0001596100000000, -0.0001926200000000 ] - [ 0.0002390300000000, -0.0001348300000000, -0.0001785800000000 ] - [ 0.0003971800000000, 0.0002824700000000, 0.0002194300000000 ] - [ 0.0003921500000000, 0.0001700400000000, 0.0002626800000000 ] - [ 0.0004144900000000, 0.0004088500000000, 0.0003234800000000 ] - [ 0.0007795700000000, 0.0004826000000000, 0.0004432900000000 ] - [ -0.0029424200000000, 0.0010239200000000, -0.0013745100000000 ] - [ 0.0000982100000000, 0.0000820500000000, -0.0004180200000000 ] - [ -0.0005137700000000, 0.0001782500000000, -0.0003427200000000 ] - [ -0.0003615400000000, -0.0000216200000000, -0.0001621200000000 ] - [ 0.0006056700000000, 0.0046591100000000, 0.0016704800000000 ] - [ 0.0000784200000000, 0.0001364000000000, -0.0000375300000000 ] - [ -0.0002090500000000, 0.0000556000000000, 0.0002320200000000 ] - [ 0.0000360300000000, -0.0001287500000000, 0.0006295100000000 ] - [ -0.0004137200000000, -0.0000058300000000, -0.0000200600000000 ] - [ 0.0001142400000000, -0.0000685100000000, -0.0002094100000000 ] - [ -0.0000069600000000, 0.0001532700000000, 0.0000609900000000 ] - [ -0.0000331000000000, 0.0001565600000000, 0.0000673900000000 ] - [ -0.0002163400000000, 0.0001546000000000, -0.0005459500000000 ] - [ -0.0004035100000000, 0.0001921300000000, -0.0000960300000000 ] - [ -0.0003004300000000, -0.0002402300000000, 0.0002791800000000 ] - [ -0.0002485200000000, -0.0001596800000000, 0.0000688300000000 ] - [ -0.0006581800000000, 0.0082185800000000, 0.0029273400000000 ] - [ 0.0004426800000000, -0.0001317600000000, -0.0000220700000000 ] - [ 0.0003645100000000, -0.0001026500000000, 0.0000659500000000 ] - [ 0.0004236900000000, -0.0001276100000000, 0.0000689100000000 ] - [ -0.0001495400000000, -0.0004402700000000, 0.0004015600000000 ] - [ 0.0002105100000000, 0.0001698300000000, 0.0002777200000000 ] - [ 0.0000995100000000, 0.0001513800000000, 0.0003788600000000 ] - [ 0.0000954200000000, 0.0001933600000000, 0.0004322700000000 ] - [ -0.0002995700000000, 0.0002039300000000, -0.0003517400000000 ] - [ 0.0000881900000000, 0.0001325600000000, -0.0000509900000000 ] - [ 0.0000626100000000, 0.0005052900000000, -0.0005448000000000 ] - [ -0.0000017500000000, 0.0002677300000000, -0.0004389900000000 ] - [ 0.0001734500000000, -0.0006149800000000, -0.0001064400000000 ] - [ -0.0002687200000000, -0.0002397100000000, -0.0004047800000000 ] - [ -0.0001239000000000, 0.0000252900000000, -0.0002355300000000 ] - [ -0.0001445800000000, -0.0000054100000000, -0.0002856500000000 ] - [ 0.0001164000000000, -0.0005634400000000, 0.0015831800000000 ] - [ 0.0001572200000000, 0.0000246400000000, 0.0002915900000000 ] - [ 0.0002094600000000, 0.0001965100000000, -0.0000487200000000 ] - [ -0.0000124800000000, 0.0004586400000000, 0.0002213200000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003126300000000, -0.0000764300000000, -0.0000262400000000 ] - [ -0.0003676300000000, 0.0001638200000000, -0.0002571300000000 ] - [ -0.0004671600000000, 0.0001451700000000, -0.0000923400000000 ] - [ -0.0004083200000000, -0.0000770300000000, -0.0002011800000000 ] - [ -0.0000256900000000, 0.0009228300000000, -0.0002892700000000 ] - [ 0.0000218300000000, 0.0000602200000000, -0.0001722100000000 ] - [ 0.0000723500000000, 0.0000043400000000, -0.0001873800000000 ] - [ 0.0000354100000000, 0.0000850600000000, -0.0002258200000000 ] - [ -0.0005874300000000, -0.0004690000000000, 0.0000559100000000 ] - [ -0.0001445900000000, -0.0000512500000000, 0.0001371400000000 ] - [ 0.0009144200000000, -0.0005905700000000, 0.0008924500000000 ] - [ -0.0016985600000000, -0.0001453000000000, 0.0005118700000000 ] - [ -0.0101240500000000, -0.0130341500000000, 0.0083923100000000 ] - [ 0.0001923600000000, -0.0002141300000000, 0.0004382300000000 ] - [ 0.0006301000000000, 0.0000890800000000, -0.0001821600000000 ] - [ 0.0003876000000000, 0.0000489300000000, -0.0001632800000000 ] - [ 0.0058583100000000, -0.0071893400000000, 0.0055564700000000 ] - [ 0.0002681000000000, -0.0004099300000000, 0.0003997100000000 ] - [ 0.0003789300000000, -0.0001609000000000, -0.0000867600000000 ] - [ 0.0003942800000000, -0.0001577400000000, -0.0000179900000000 ] - [ -0.0004827000000000, 0.0003283500000000, 0.0000033600000000 ] - [ -0.0003220200000000, -0.0002407100000000, -0.0000815100000000 ] - [ -0.0004027800000000, -0.0001168100000000, -0.0000956700000000 ] - [ -0.0002202700000000, -0.0001684500000000, 0.0000398500000000 ] - [ 0.0000703000000000, 0.0005266000000000, 0.0000478400000000 ] - [ 0.0001596500000000, -0.0000337900000000, 0.0003991800000000 ] - [ 0.0002381700000000, -0.0001462400000000, 0.0003128800000000 ] - [ 0.0002270300000000, -0.0001039200000000, 0.0003265800000000 ] - [ -0.0000578800000000, -0.0001305400000000, -0.0004303500000000 ] - [ -0.0012145600000000, -0.0002061000000000, -0.0006443100000000 ] - [ -0.0001428000000000, -0.0003477700000000, -0.0004139500000000 ] - [ -0.0002494600000000, -0.0002024800000000, -0.0002351500000000 ] - [ -0.0035222800000000, 0.0381369200000000, -0.0166472700000000 ] - [ -0.0000397300000000, 0.0003425600000000, -0.0003861200000000 ] - [ -0.0004286400000000, 0.0001363900000000, 0.0002679800000000 ] - [ -0.0001377100000000, 0.0001217600000000, 0.0000807100000000 ] - [ 0.0000417500000000, 0.0000943900000000, -0.0000526000000000 ] - [ 0.0001863200000000, 0.0002115200000000, 0.0001220200000000 ] - [ 0.0001869900000000, 0.0000964700000000, 0.0000553300000000 ] - [ 0.0000386500000000, 0.0001336700000000, 0.0000471600000000 ] - [ -0.0000834500000000, 0.0000319900000000, 0.0000766900000000 ] - [ 0.0000060200000000, 0.0001101800000000, -0.0000393500000000 ] - [ 0.0001627100000000, 0.0001256300000000, -0.0000557300000000 ] - [ 0.0001344700000000, 0.0001648600000000, 0.0000129400000000 ] - [ -0.0023368300000000, -0.0004663500000000, 0.0048755300000000 ] - [ 0.0000099100000000, 0.0003017400000000, -0.0001445100000000 ] - [ -0.0001231900000000, 0.0001773700000000, 0.0001452600000000 ] - [ -0.0000858700000000, 0.0002030100000000, 0.0001752000000000 ] - [ 0.0000950800000000, 0.0002318700000000, -0.0000357800000000 ] - [ 0.0011919200000000, 0.0000112700000000, 0.0002824200000000 ] - [ 0.0001031800000000, 0.0002164400000000, -0.0000254600000000 ] - [ 0.0001218400000000, 0.0001864000000000, -0.0000151400000000 ] - [ 0.0004460100000000, -0.0001699500000000, -0.0003752700000000 ] - [ 0.0001326300000000, -0.0001751600000000, -0.0000495300000000 ] - [ -0.0001877400000000, -0.0007806800000000, 0.0003664900000000 ] - [ 0.0005735100000000, -0.0003586800000000, -0.0000494000000000 ] - [ -0.0004602300000000, -0.0000832300000000, 0.0001827400000000 ] - [ 0.0000755000000000, 0.0000661000000000, -0.0001176800000000 ] - [ -0.0000909500000000, 0.0001525800000000, 0.0000549500000000 ] - [ -0.0001159400000000, 0.0001351000000000, 0.0000881000000000 ] - [ -0.0002621000000000, -0.0017426500000000, -0.0008119400000000 ] - [ -0.0000297800000000, -0.0001910400000000, 0.0000253200000000 ] - [ -0.0001238100000000, -0.0001857400000000, 0.0001404600000000 ] - [ -0.0000446300000000, -0.0002841500000000, 0.0002101400000000 ] - [ 0.0002493900000000, 0.0005546600000000, 0.0003292800000000 ] - [ -0.0000296000000000, -0.0000684600000000, -0.0001314400000000 ] - [ -0.0005711800000000, 0.0002202600000000, 0.0005914400000000 ] - [ 0.0002743700000000, 0.0000538600000000, -0.0000553600000000 ] - [ -0.0005861400000000, -0.0006779400000000, 0.0000755500000000 ] - [ 0.0000253600000000, -0.0001556900000000, 0.0001119800000000 ] - [ -0.0000212000000000, -0.0001146800000000, 0.0001653900000000 ] - [ -0.0000179500000000, -0.0001452700000000, 0.0001847300000000 ] - [ 0.0008322200000000, -0.0007832800000000, -0.0001564600000000 ] - [ 0.0000357200000000, -0.0001438800000000, -0.0000870700000000 ] - [ -0.0000305500000000, -0.0000239100000000, -0.0000201000000000 ] - [ -0.0000079800000000, -0.0000267100000000, 0.0000056300000000 ] - [ 0.0000644600000000, -0.0000074500000000, -0.0000392200000000 ] - [ 0.0006437900000000, 0.0004519200000000, -0.0000224400000000 ] - [ 0.0003614600000000, 0.0001413100000000, 0.0002334600000000 ] - [ 0.0001349600000000, 0.0000066100000000, -0.0000509000000000 ] - [ 0.0004689300000000, -0.0001315300000000, -0.0000741100000000 ] - [ 0.0002710700000000, -0.0003338000000000, -0.0000007800000000 ] - [ 0.0004906900000000, -0.0002463500000000, 0.0000242400000000 ] - [ 0.0004892100000000, -0.0000902900000000, -0.0000565400000000 ] - [ 0.0026330300000000, 0.0036465100000000, -0.0013272900000000 ] - [ -0.0004228300000000, -0.0000217700000000, 0.0000075500000000 ] - [ -0.0005732700000000, 0.0000034600000000, 0.0001938200000000 ] - [ -0.0004263900000000, -0.0000462700000000, 0.0001771700000000 ] - [ -0.0004074800000000, -0.0006918300000000, 0.0005651400000000 ] - [ -0.0002246000000000, 0.0000316100000000, 0.0001511800000000 ] - [ -0.0002578100000000, -0.0000338000000000, 0.0001969900000000 ] - [ -0.0002099800000000, 0.0000747700000000, 0.0001596500000000 ] - [ 0.0047758400000000, -0.0049592100000000, 0.0016310800000000 ] - [ 0.0002361000000000, 0.0000973300000000, -0.0002224500000000 ] - [ 0.0002461300000000, 0.0000663500000000, -0.0000506200000000 ] - [ 0.0002453300000000, 0.0001158200000000, -0.0000423400000000 ] - [ -0.0004399000000000, 0.0000781400000000, -0.0000910700000000 ] - [ 0.0012179700000000, -0.0003233400000000, 0.0004552400000000 ] - [ -0.0003910900000000, -0.0001958900000000, 0.0001680800000000 ] - [ -0.0001929100000000, -0.0001299900000000, 0.0002322200000000 ] - [ 0.0003991700000000, -0.0010648000000000, 0.0001901700000000 ] - [ 0.0003121200000000, -0.0002278000000000, -0.0001724300000000 ] - [ 0.0002477300000000, -0.0002315500000000, -0.0000732800000000 ] - [ 0.0002906900000000, -0.0002558900000000, -0.0000869400000000 ] - [ 0.0004185000000000, 0.0000499700000000, 0.0003542400000000 ] - [ 0.0004225700000000, 0.0001602900000000, 0.0003119300000000 ] - [ 0.0003997600000000, -0.0000794800000000, 0.0002516300000000 ] - [ 0.0000376600000000, -0.0001515900000000, 0.0001328100000000 ] - [ 0.0020900200000000, -0.0006812900000000, 0.0007808900000000 ] - [ -0.0009032200000000, 0.0002492500000000, -0.0001603600000000 ] - [ -0.0003039900000000, 0.0001525400000000, -0.0002334600000000 ] - [ -0.0004551300000000, 0.0003516800000000, -0.0004125700000000 ] - [ -0.0006011000000000, -0.0046026100000000, -0.0017743300000000 ] - [ -0.0000340900000000, 0.0001010500000000, 0.0000613700000000 ] - [ 0.0002483800000000, 0.0001809200000000, -0.0002031400000000 ] - [ 0.0000079200000000, 0.0003629700000000, -0.0005962300000000 ] - [ 0.0003676400000000, 0.0002430400000000, -0.0000043200000000 ] - [ -0.0001563500000000, 0.0003044400000000, 0.0001808700000000 ] - [ -0.0000366000000000, 0.0000848200000000, -0.0000831600000000 ] - [ -0.0000109500000000, 0.0000809200000000, -0.0000895900000000 ] - [ -0.0005371900000000, -0.0003822300000000, 0.0005049700000000 ] - [ -0.0003538600000000, -0.0004186100000000, 0.0000623000000000 ] - [ -0.0004536600000000, 0.0000122400000000, -0.0003110700000000 ] - [ -0.0005063700000000, -0.0000679100000000, -0.0001018200000000 ] - [ 0.0013375000000000, -0.0080331700000000, -0.0027792400000000 ] - [ 0.0003144300000000, -0.0000954700000000, 0.0000557200000000 ] - [ 0.0003914600000000, -0.0001247700000000, -0.0000300800000000 ] - [ 0.0003341100000000, -0.0001003500000000, -0.0000331400000000 ] - [ 0.0003277500000000, 0.0008208100000000, 0.0003590300000000 ] - [ -0.0000287300000000, 0.0002219900000000, 0.0004829600000000 ] - [ 0.0000795900000000, 0.0002419200000000, 0.0003864300000000 ] - [ 0.0000859500000000, 0.0001992000000000, 0.0003326100000000 ] - [ 0.0001180800000000, 0.0001861600000000, -0.0004115300000000 ] - [ -0.0002680300000000, 0.0002622500000000, -0.0007081400000000 ] - [ -0.0002416200000000, -0.0001106100000000, -0.0002189000000000 ] - [ -0.0001778000000000, 0.0001263200000000, -0.0003250400000000 ] - [ -0.0004079300000000, 0.0006397200000000, -0.0004476800000000 ] - [ 0.0000295100000000, 0.0002732800000000, -0.0001522500000000 ] - [ -0.0001140600000000, 0.0000112300000000, -0.0003157500000000 ] - [ -0.0000928700000000, 0.0000420700000000, -0.0002641000000000 ] - [ 0.0001250600000000, 0.0005888800000000, -0.0009996600000000 ] - [ 0.0000813700000000, 0.0000110800000000, 0.0002608900000000 ] - [ 0.0000264000000000, -0.0001579400000000, 0.0006010900000000 ] - [ 0.0002510600000000, -0.0004166500000000, 0.0003319100000000 ]- atom: 33 displacement: [ -0.0045549923526468, 0.0000000000000000, 0.0089023617466001 ] forces: - [ -0.0000465400000000, -0.0000563700000000, -0.0001764500000000 ] - [ -0.0002974000000000, -0.0000915500000000, 0.0001928500000000 ] - [ -0.0006780400000000, -0.0000071000000000, -0.0002011500000000 ] - [ -0.0003102900000000, -0.0000747500000000, -0.0003050600000000 ] - [ 0.0001793200000000, -0.0001278100000000, -0.0000392900000000 ] - [ 0.0004109100000000, 0.0000720700000000, -0.0001170700000000 ] - [ 0.0001236400000000, 0.0000148900000000, -0.0002106800000000 ] - [ -0.0001389300000000, 0.0000769900000000, -0.0001909400000000 ] - [ -0.0011822600000000, 0.0001905600000000, 0.0009678200000000 ] - [ -0.0001218000000000, -0.0001172900000000, 0.0001109000000000 ] - [ 0.0005569600000000, -0.0014661500000000, 0.0029874400000000 ] - [ -0.0004186500000000, 0.0000661900000000, 0.0003000100000000 ] - [ -0.0291579000000000, -0.0132440900000000, 0.0252748200000000 ] - [ 0.0004230800000000, -0.0003332800000000, 0.0008050100000000 ] - [ 0.0009722000000000, 0.0003279700000000, -0.0003919100000000 ] - [ 0.0002568000000000, 0.0001792700000000, -0.0003118900000000 ] - [ 0.0044501100000000, -0.0043522500000000, 0.0136105300000000 ] - [ 0.0007733200000000, -0.0004552400000000, 0.0005181200000000 ] - [ 0.0004693100000000, -0.0002203900000000, -0.0003902900000000 ] - [ 0.0001207700000000, -0.0000703900000000, -0.0001862700000000 ] - [ -0.0009546700000000, 0.0006256500000000, -0.0001847000000000 ] - [ -0.0002531300000000, -0.0002226100000000, -0.0001774000000000 ] - [ -0.0005116400000000, -0.0001356700000000, -0.0001486400000000 ] - [ -0.0002530400000000, -0.0002058800000000, -0.0000684500000000 ] - [ -0.0004300700000000, -0.0001422400000000, 0.0002636400000000 ] - [ 0.0002794000000000, -0.0001874100000000, 0.0003140900000000 ] - [ 0.0003987500000000, -0.0001922400000000, 0.0002645800000000 ] - [ 0.0001306700000000, -0.0001148400000000, 0.0003125100000000 ] - [ 0.0001001100000000, 0.0002983100000000, -0.0009385200000000 ] - [ -0.0008582200000000, 0.0001928200000000, -0.0009799900000000 ] - [ -0.0000750200000000, -0.0002926300000000, -0.0000321400000000 ] - [ -0.0000973600000000, -0.0002934100000000, -0.0006294300000000 ] - [ 0.0310065900000000, 0.0136259100000000, -0.0571997800000000 ] - [ -0.0001822600000000, 0.0004955800000000, -0.0006527600000000 ] - [ -0.0005324200000000, -0.0002645000000000, 0.0000820000000000 ] - [ -0.0000992600000000, 0.0000343500000000, 0.0001781600000000 ] - [ -0.0001521800000000, 0.0001056200000000, 0.0000728900000000 ] - [ 0.0002487800000000, 0.0001926600000000, 0.0000414800000000 ] - [ 0.0002934200000000, 0.0001333400000000, 0.0001916900000000 ] - [ -0.0000052200000000, 0.0001949600000000, 0.0001427100000000 ] - [ -0.0002077900000000, 0.0000233900000000, 0.0002367900000000 ] - [ -0.0000485600000000, 0.0001506000000000, -0.0001203300000000 ] - [ 0.0002682700000000, 0.0002335400000000, 0.0000822800000000 ] - [ 0.0000352900000000, 0.0002330300000000, 0.0000343300000000 ] - [ 0.0001785300000000, -0.0037055400000000, 0.0061499800000000 ] - [ -0.0002667500000000, 0.0002928200000000, -0.0001544200000000 ] - [ -0.0003458600000000, 0.0000831300000000, 0.0003979600000000 ] - [ 0.0000979800000000, 0.0000523200000000, 0.0001698100000000 ] - [ 0.0001605200000000, 0.0001971900000000, -0.0000707700000000 ] - [ 0.0005198000000000, -0.0003201400000000, 0.0001243000000000 ] - [ 0.0001662700000000, 0.0001761600000000, 0.0000540500000000 ] - [ -0.0000311100000000, 0.0001772600000000, 0.0001476300000000 ] - [ -0.0000528800000000, -0.0004546300000000, 0.0000927700000000 ] - [ 0.0001426400000000, -0.0001644400000000, -0.0000335400000000 ] - [ -0.0006096600000000, -0.0012789600000000, 0.0009641600000000 ] - [ 0.0000781300000000, -0.0001356600000000, -0.0002054300000000 ] - [ 0.0006118500000000, 0.0000107100000000, -0.0005351200000000 ] - [ -0.0001723600000000, 0.0001636900000000, -0.0000441500000000 ] - [ -0.0001692200000000, 0.0002072900000000, 0.0002143200000000 ] - [ 0.0000081900000000, 0.0001802200000000, 0.0001360700000000 ] - [ 0.0001028100000000, 0.0002215200000000, 0.0000305100000000 ] - [ -0.0003401500000000, -0.0001871300000000, -0.0000302500000000 ] - [ -0.0001706600000000, -0.0001733200000000, 0.0002167400000000 ] - [ -0.0000011600000000, -0.0002827500000000, 0.0002384100000000 ] - [ -0.0008846600000000, 0.0012533900000000, 0.0027706200000000 ] - [ -0.0000285900000000, 0.0000296200000000, 0.0000236800000000 ] - [ -0.0009894900000000, -0.0001920600000000, 0.0020306200000000 ] - [ 0.0000693700000000, -0.0001197900000000, -0.0002633300000000 ] - [ 0.0000591700000000, -0.0000932300000000, -0.0001060500000000 ] - [ -0.0001070800000000, -0.0001114900000000, 0.0000844600000000 ] - [ -0.0000896000000000, -0.0000874700000000, 0.0002654000000000 ] - [ 0.0000362800000000, -0.0001312500000000, 0.0002043900000000 ] - [ 0.0000791100000000, 0.0000174800000000, -0.0002373700000000 ] - [ -0.0001326800000000, -0.0000049600000000, -0.0000471700000000 ] - [ -0.0000469600000000, -0.0000007000000000, 0.0000978800000000 ] - [ 0.0000555000000000, 0.0000050000000000, 0.0000196100000000 ] - [ -0.0000285600000000, -0.0000248100000000, 0.0000028500000000 ] - [ 0.0012825300000000, -0.0000885100000000, 0.0003759500000000 ] - [ 0.0001321100000000, 0.0002360100000000, 0.0002585800000000 ] - [ -0.0000455900000000, 0.0001243400000000, 0.0002466800000000 ] - [ 0.0003501600000000, -0.0001232300000000, -0.0000024600000000 ] - [ 0.0007077900000000, 0.0000494900000000, -0.0000143700000000 ] - [ 0.0006589400000000, -0.0002790100000000, -0.0000519500000000 ] - [ 0.0003508400000000, -0.0001452100000000, 0.0000101900000000 ] - [ -0.0028484000000000, 0.0045259200000000, 0.0029261300000000 ] - [ -0.0005249600000000, -0.0001156000000000, -0.0000315600000000 ] - [ -0.0006785000000000, -0.0000009900000000, 0.0003329000000000 ] - [ -0.0003990000000000, -0.0000726900000000, 0.0001615000000000 ] - [ 0.0003694400000000, -0.0016216800000000, 0.0005253800000000 ] - [ -0.0002777900000000, 0.0000276600000000, 0.0001171400000000 ] - [ -0.0002302100000000, 0.0000369100000000, 0.0003082000000000 ] - [ -0.0002182700000000, 0.0000785000000000, 0.0001494400000000 ] - [ -0.0012105400000000, 0.0008657400000000, -0.0020502700000000 ] - [ 0.0001631800000000, 0.0001160200000000, -0.0002752300000000 ] - [ 0.0002145200000000, 0.0001187500000000, 0.0001875100000000 ] - [ 0.0002418400000000, 0.0000722500000000, -0.0000786500000000 ] - [ -0.0008481000000000, -0.0006598500000000, 0.0002239100000000 ] - [ 0.0010677000000000, -0.0001668700000000, 0.0005003700000000 ] - [ 0.0002286500000000, -0.0001059400000000, 0.0000796000000000 ] - [ -0.0005426200000000, -0.0001921500000000, 0.0003213300000000 ] - [ 0.0006561100000000, 0.0001444100000000, -0.0004575300000000 ] - [ 0.0001434300000000, -0.0001814300000000, -0.0001780000000000 ] - [ 0.0000889000000000, -0.0002499100000000, 0.0000170800000000 ] - [ 0.0003699300000000, -0.0002206700000000, -0.0000599800000000 ] - [ 0.0005673300000000, 0.0000869700000000, 0.0004197700000000 ] - [ 0.0003324500000000, 0.0001577900000000, 0.0003691200000000 ] - [ 0.0000521000000000, 0.0004213900000000, 0.0001919000000000 ] - [ 0.0004723200000000, 0.0002386300000000, 0.0002523200000000 ] - [ 0.0003199600000000, -0.0001070500000000, -0.0000134900000000 ] - [ -0.0018734200000000, -0.0002557000000000, -0.0003042500000000 ] - [ -0.0002177300000000, 0.0001582900000000, -0.0001534500000000 ] - [ -0.0002369800000000, 0.0000849600000000, -0.0002149500000000 ] - [ -0.0005799200000000, -0.0004032400000000, 0.0003367900000000 ] - [ 0.0000940900000000, 0.0001019300000000, 0.0000425900000000 ] - [ 0.0007630000000000, 0.0003570400000000, -0.0007989900000000 ] - [ -0.0000477500000000, 0.0001900600000000, -0.0001019000000000 ] - [ 0.0002028500000000, 0.0002870600000000, 0.0002760700000000 ] - [ 0.0002384400000000, 0.0001067000000000, 0.0007028600000000 ] - [ -0.0000824500000000, 0.0000362700000000, -0.0002699500000000 ] - [ 0.0000204400000000, 0.0000783400000000, -0.0001718600000000 ] - [ -0.0000640500000000, -0.0001346700000000, -0.0000744500000000 ] - [ -0.0004918800000000, -0.0003918200000000, 0.0000655900000000 ] - [ -0.0008551400000000, 0.0001100400000000, -0.0005018600000000 ] - [ -0.0002799100000000, -0.0001017200000000, -0.0000348100000000 ] - [ -0.0009438300000000, 0.0047001200000000, 0.0023851000000000 ] - [ 0.0005173400000000, -0.0001026600000000, 0.0001395600000000 ] - [ 0.0004616300000000, -0.0001081600000000, -0.0002147500000000 ] - [ 0.0002478300000000, -0.0000948500000000, -0.0000697800000000 ] - [ -0.0005663700000000, 0.0003915500000000, 0.0010821700000000 ] - [ 0.0002128200000000, 0.0001451300000000, 0.0004689800000000 ] - [ 0.0002424500000000, 0.0002103000000000, 0.0001343300000000 ] - [ 0.0000116200000000, 0.0001821100000000, 0.0002532300000000 ] - [ 0.0000982300000000, 0.0001282900000000, -0.0005338700000000 ] - [ -0.0003935300000000, 0.0003312900000000, -0.0007893300000000 ] - [ -0.0008490800000000, 0.0000960700000000, -0.0006895500000000 ] - [ 0.0000185400000000, 0.0002069100000000, -0.0003700100000000 ] - [ 0.0000322000000000, -0.0000324500000000, 0.0000188800000000 ] - [ 0.0001912200000000, 0.0002618900000000, 0.0002027600000000 ] - [ -0.0001052700000000, -0.0000217500000000, -0.0004376000000000 ] - [ -0.0002019500000000, -0.0001381700000000, -0.0005027200000000 ] - [ -0.0001828600000000, 0.0004753600000000, -0.0009650700000000 ] - [ 0.0001417300000000, 0.0000726800000000, 0.0002362700000000 ] - [ 0.0011388900000000, -0.0002822400000000, -0.0003074800000000 ] - [ 0.0000087900000000, -0.0000140400000000, 0.0003598200000000 ]- atom: 33 displacement: [ 0.0045549923526468, 0.0000000000000000, -0.0089023617466001 ] forces: - [ -0.0007432800000000, -0.0001341600000000, -0.0001251600000000 ] - [ -0.0004862400000000, -0.0001017000000000, -0.0004896500000000 ] - [ -0.0001102000000000, -0.0001828700000000, -0.0000955600000000 ] - [ -0.0004725700000000, -0.0001176200000000, 0.0000056200000000 ] - [ -0.0000162800000000, 0.0001466400000000, -0.0003281100000000 ] - [ -0.0002475500000000, -0.0000575900000000, -0.0002551900000000 ] - [ 0.0000362000000000, -0.0000020400000000, -0.0001623700000000 ] - [ 0.0002998200000000, -0.0000655400000000, -0.0001819700000000 ] - [ 0.0010379200000000, -0.0001938500000000, -0.0006280500000000 ] - [ -0.0000385600000000, 0.0001264600000000, 0.0002619800000000 ] - [ -0.0007547900000000, 0.0014473300000000, -0.0026005600000000 ] - [ 0.0003036200000000, -0.0000519500000000, 0.0000588700000000 ] - [ 0.0285013700000000, 0.0125462900000000, -0.0237959200000000 ] - [ 0.0003643400000000, 0.0001480500000000, -0.0005225800000000 ] - [ -0.0001921500000000, -0.0005214600000000, 0.0006939800000000 ] - [ 0.0005277200000000, -0.0003689900000000, 0.0006129700000000 ] - [ -0.0037318400000000, 0.0038614700000000, -0.0135033700000000 ] - [ -0.0001181100000000, 0.0000242600000000, -0.0003745000000000 ] - [ 0.0001849000000000, -0.0002119300000000, 0.0005357800000000 ] - [ 0.0005364600000000, -0.0003599900000000, 0.0003296600000000 ] - [ 0.0003035900000000, -0.0010593000000000, 0.0000396000000000 ] - [ -0.0004012000000000, -0.0002141500000000, 0.0000343700000000 ] - [ -0.0001479000000000, -0.0002967300000000, 0.0000035700000000 ] - [ -0.0003992500000000, -0.0002318000000000, -0.0000728500000000 ] - [ 0.0008411800000000, -0.0001612800000000, 0.0003954200000000 ] - [ 0.0001336300000000, -0.0001172100000000, 0.0003485100000000 ] - [ 0.0000130300000000, -0.0001100600000000, 0.0003990200000000 ] - [ 0.0002812600000000, -0.0001893600000000, 0.0003517700000000 ] - [ -0.0005106300000000, -0.0006019400000000, 0.0002783600000000 ] - [ 0.0004573600000000, -0.0004873200000000, 0.0003346800000000 ] - [ -0.0003364800000000, -0.0000091100000000, -0.0006288700000000 ] - [ -0.0003104100000000, -0.0000096800000000, -0.0000342000000000 ] - [ -0.0297935300000000, -0.0126238900000000, 0.0557813100000000 ] - [ -0.0000518600000000, -0.0001221300000000, 0.0005009300000000 ] - [ 0.0003035700000000, 0.0006460000000000, -0.0002441500000000 ] - [ -0.0001305500000000, 0.0003434600000000, -0.0003386000000000 ] - [ 0.0003845500000000, 0.0002751400000000, 0.0000895500000000 ] - [ -0.0000174800000000, 0.0001854300000000, 0.0001178100000000 ] - [ -0.0000601500000000, 0.0002438600000000, -0.0000322200000000 ] - [ 0.0002333000000000, 0.0001833900000000, 0.0000162000000000 ] - [ 0.0004005100000000, 0.0004259900000000, -0.0002152500000000 ] - [ 0.0002358800000000, 0.0002967100000000, 0.0001418200000000 ] - [ -0.0000762500000000, 0.0002131000000000, -0.0000610400000000 ] - [ 0.0001533700000000, 0.0002159100000000, -0.0000108500000000 ] - [ -0.0003547800000000, 0.0040656300000000, -0.0060200600000000 ] - [ 0.0000797800000000, 0.0001543300000000, 0.0001328400000000 ] - [ 0.0001581200000000, 0.0003652700000000, -0.0004215000000000 ] - [ -0.0002851000000000, 0.0003948800000000, -0.0001912400000000 ] - [ 0.0000099800000000, 0.0001411900000000, 0.0000443900000000 ] - [ -0.0003489000000000, 0.0006581400000000, -0.0001480500000000 ] - [ 0.0000052500000000, 0.0001603100000000, -0.0000817200000000 ] - [ 0.0002000000000000, 0.0001601300000000, -0.0001734600000000 ] - [ 0.0002951300000000, 0.0000663400000000, -0.0002631900000000 ] - [ 0.0001019400000000, -0.0002294000000000, -0.0001396500000000 ] - [ 0.0008576000000000, 0.0008630000000000, -0.0011231600000000 ] - [ 0.0001537800000000, -0.0002524500000000, 0.0000322900000000 ] - [ -0.0007791300000000, 0.0003312700000000, 0.0005647300000000 ] - [ -0.0000008200000000, 0.0001749000000000, 0.0000728000000000 ] - [ -0.0000023800000000, 0.0001288200000000, -0.0001888800000000 ] - [ -0.0001775500000000, 0.0001573000000000, -0.0001111700000000 ] - [ -0.0003500300000000, -0.0006175300000000, 0.0001362900000000 ] - [ 0.0000933300000000, -0.0002069400000000, 0.0002029100000000 ] - [ -0.0000738900000000, -0.0002195200000000, -0.0000441300000000 ] - [ -0.0002449500000000, -0.0001107100000000, -0.0000668900000000 ] - [ 0.0009088700000000, -0.0014904500000000, -0.0031063400000000 ] - [ 0.0000395500000000, -0.0002470400000000, -0.0003158700000000 ] - [ 0.0010116700000000, -0.0000154600000000, -0.0023191500000000 ] - [ -0.0000698900000000, -0.0001022800000000, -0.0000306700000000 ] - [ -0.0000698900000000, -0.0001262400000000, 0.0003998200000000 ] - [ 0.0000956400000000, -0.0001071500000000, 0.0002102700000000 ] - [ 0.0000800000000000, -0.0001311200000000, 0.0000284000000000 ] - [ -0.0000465100000000, -0.0000876700000000, 0.0000889900000000 ] - [ -0.0001406100000000, -0.0000671500000000, 0.0002132900000000 ] - [ 0.0000654500000000, -0.0000383600000000, 0.0000220700000000 ] - [ -0.0000200400000000, -0.0000438300000000, -0.0001248700000000 ] - [ -0.0001211700000000, -0.0000494000000000, -0.0000477300000000 ] - [ 0.0000961300000000, -0.0000224100000000, 0.0000222700000000 ] - [ -0.0012072000000000, 0.0000431200000000, -0.0003386100000000 ] - [ -0.0000669500000000, -0.0002795800000000, -0.0002307900000000 ] - [ 0.0001131100000000, -0.0001718400000000, -0.0002210300000000 ] - [ 0.0005997500000000, 0.0000001300000000, -0.0001346200000000 ] - [ 0.0002417500000000, -0.0001736000000000, -0.0001229400000000 ] - [ 0.0002922400000000, 0.0001538200000000, -0.0000857400000000 ] - [ 0.0005975300000000, 0.0000218500000000, -0.0001474900000000 ] - [ 0.0018407400000000, -0.0046353800000000, -0.0027377100000000 ] - [ -0.0004263500000000, -0.0000080400000000, 0.0001718800000000 ] - [ -0.0002704700000000, -0.0001234200000000, -0.0001949100000000 ] - [ -0.0005500900000000, -0.0000525200000000, -0.0000264300000000 ] - [ -0.0008250900000000, 0.0017916600000000, -0.0002399600000000 ] - [ -0.0001661300000000, 0.0001294000000000, 0.0001691600000000 ] - [ -0.0002138200000000, 0.0001200200000000, -0.0000200200000000 ] - [ -0.0002271700000000, 0.0000798200000000, 0.0001358100000000 ] - [ 0.0016405600000000, -0.0006841400000000, 0.0017792600000000 ] - [ 0.0002806100000000, 0.0000426700000000, -0.0000097400000000 ] - [ 0.0002311000000000, 0.0000394600000000, -0.0004725300000000 ] - [ 0.0002018800000000, 0.0000863500000000, -0.0002076900000000 ] - [ 0.0003360100000000, 0.0002702400000000, 0.0000510900000000 ] - [ -0.0016077600000000, -0.0002311400000000, -0.0002376700000000 ] - [ -0.0007521000000000, -0.0002883700000000, 0.0001861200000000 ] - [ 0.0000120100000000, -0.0002043400000000, -0.0000574900000000 ] - [ -0.0001273500000000, -0.0005389600000000, 0.0001932900000000 ] - [ 0.0003817300000000, -0.0002115400000000, -0.0000875500000000 ] - [ 0.0004373900000000, -0.0001434500000000, -0.0002840500000000 ] - [ 0.0001562500000000, -0.0001714500000000, -0.0002073900000000 ] - [ 0.0002441800000000, 0.0002460100000000, 0.0001573400000000 ] - [ 0.0004804300000000, 0.0001741800000000, 0.0002078000000000 ] - [ 0.0007543600000000, -0.0000849000000000, 0.0003871400000000 ] - [ 0.0003388400000000, 0.0000941400000000, 0.0003256200000000 ] - [ -0.0011957000000000, 0.0004559000000000, -0.0005942000000000 ] - [ 0.0010469400000000, 0.0005904900000000, -0.0002734600000000 ] - [ -0.0005930600000000, 0.0001730500000000, -0.0004254200000000 ] - [ -0.0005772900000000, 0.0002472700000000, -0.0003618500000000 ] - [ 0.0006215200000000, 0.0006137100000000, -0.0003352000000000 ] - [ -0.0000497100000000, 0.0001354900000000, -0.0000212700000000 ] - [ -0.0007167100000000, -0.0001222400000000, 0.0008183700000000 ] - [ 0.0000910200000000, 0.0000413900000000, 0.0001368200000000 ] - [ -0.0002452300000000, -0.0000526900000000, -0.0003035100000000 ] - [ -0.0002800900000000, 0.0001260000000000, -0.0007226900000000 ] - [ 0.0000366700000000, 0.0002007000000000, 0.0002477400000000 ] - [ -0.0000647100000000, 0.0001581800000000, 0.0001507900000000 ] - [ -0.0006860500000000, -0.0000926300000000, 0.0000335900000000 ] - [ -0.0002673100000000, 0.0001662500000000, -0.0000986800000000 ] - [ 0.0000946300000000, -0.0003357500000000, 0.0004625700000000 ] - [ -0.0004739700000000, -0.0001246600000000, 0.0000023700000000 ] - [ 0.0017089200000000, -0.0049097800000000, -0.0023885200000000 ] - [ 0.0002418200000000, -0.0001237400000000, -0.0001058300000000 ] - [ 0.0002970900000000, -0.0001178000000000, 0.0002491900000000 ] - [ 0.0005107300000000, -0.0001310100000000, 0.0001053700000000 ] - [ 0.0007445400000000, -0.0000022900000000, -0.0003164900000000 ] - [ -0.0000255200000000, 0.0002461700000000, 0.0002896600000000 ] - [ -0.0000587800000000, 0.0001825600000000, 0.0006273900000000 ] - [ 0.0001724100000000, 0.0002091400000000, 0.0005097200000000 ] - [ -0.0002784000000000, 0.0002670000000000, -0.0002276900000000 ] - [ 0.0002082900000000, 0.0000618400000000, 0.0000293300000000 ] - [ 0.0006588700000000, 0.0002978400000000, -0.0000698800000000 ] - [ -0.0001994500000000, 0.0001877800000000, -0.0003935200000000 ] - [ -0.0002708300000000, 0.0000577600000000, -0.0005757600000000 ] - [ -0.0004305900000000, -0.0002237600000000, -0.0007551100000000 ] - [ -0.0001358700000000, 0.0000584300000000, -0.0001168800000000 ] - [ -0.0000375100000000, 0.0001756300000000, -0.0000509700000000 ] - [ 0.0004230200000000, -0.0004316800000000, 0.0015153500000000 ] - [ 0.0000976000000000, -0.0000365700000000, 0.0003199200000000 ] - [ -0.0008930600000000, 0.0003224500000000, 0.0008557300000000 ] - [ 0.0002328400000000, 0.0000571300000000, 0.0001984900000000 ]- atom: 41 displacement: [ 0.0099999730884809, 0.0000000000000000, -0.0000231997770880 ] forces: - [ 0.0214408500000000, 0.0017493500000000, 0.0112930800000000 ] - [ -0.0010774300000000, -0.0003477500000000, -0.0002882900000000 ] - [ -0.0003984700000000, 0.0000142800000000, 0.0000244700000000 ] - [ -0.0007997100000000, -0.0006753700000000, -0.0007524800000000 ] - [ 0.0002677100000000, -0.0000315200000000, 0.0006070100000000 ] - [ -0.0000896700000000, 0.0001372700000000, -0.0006778500000000 ] - [ 0.0007931700000000, 0.0000772900000000, -0.0000334100000000 ] - [ 0.0002112000000000, -0.0002542900000000, -0.0005213100000000 ] - [ -0.0002247500000000, 0.0004226100000000, -0.0001542000000000 ] - [ -0.0002281300000000, 0.0000902200000000, 0.0001020100000000 ] - [ -0.0003124200000000, 0.0000781200000000, 0.0003226700000000 ] - [ 0.0003375900000000, -0.0000415000000000, -0.0002885700000000 ] - [ 0.0003409900000000, 0.0000811700000000, 0.0003884500000000 ] - [ -0.0001866700000000, -0.0004502600000000, -0.0000762200000000 ] - [ 0.0013014400000000, -0.0001600200000000, 0.0000270100000000 ] - [ 0.0002519700000000, -0.0000991100000000, 0.0003515600000000 ] - [ 0.0007606600000000, -0.0001535200000000, 0.0002322700000000 ] - [ -0.0002895200000000, -0.0002621000000000, 0.0001456100000000 ] - [ 0.0006184400000000, -0.0003752700000000, 0.0002664900000000 ] - [ 0.0000458500000000, -0.0001624700000000, -0.0000986900000000 ] - [ 0.0189037600000000, -0.0053376200000000, -0.0110789500000000 ] - [ -0.0013168500000000, -0.0003708300000000, -0.0000557300000000 ] - [ -0.0002921100000000, -0.0002008500000000, -0.0000215500000000 ] - [ -0.0004490000000000, -0.0002136100000000, -0.0000643900000000 ] - [ -0.0047923000000000, -0.0005312200000000, -0.0011418200000000 ] - [ 0.0013955600000000, 0.0038858100000000, 0.0019952300000000 ] - [ 0.0013562900000000, 0.0000571400000000, 0.0010119900000000 ] - [ 0.0002863600000000, -0.0001278400000000, 0.0002919800000000 ] - [ 0.0007670100000000, 0.0002990600000000, -0.0006646000000000 ] - [ -0.0004561900000000, -0.0002530000000000, -0.0001910400000000 ] - [ -0.0002503700000000, -0.0001253100000000, -0.0003262200000000 ] - [ -0.0002444300000000, -0.0000861400000000, -0.0004485400000000 ] - [ -0.0000834800000000, 0.0003680800000000, -0.0004022800000000 ] - [ 0.0001706100000000, 0.0002775000000000, -0.0000923900000000 ] - [ -0.0004747400000000, 0.0001244800000000, -0.0000708100000000 ] - [ 0.0001010000000000, 0.0001519800000000, -0.0000353600000000 ] - [ -0.0049348900000000, -0.0020707200000000, -0.0022490300000000 ] - [ 0.0007341200000000, 0.0002957100000000, 0.0002035000000000 ] - [ 0.0001367300000000, 0.0001600100000000, -0.0001941600000000 ] - [ 0.0000051900000000, 0.0001987100000000, 0.0002359600000000 ] - [ -0.0559516700000000, -0.0038620700000000, 0.0007985500000000 ] - [ 0.0004674800000000, 0.0003442000000000, -0.0000196700000000 ] - [ 0.0001220500000000, 0.0001805600000000, -0.0000611400000000 ] - [ 0.0005425000000000, 0.0005702100000000, 0.0001920700000000 ] - [ -0.0002396700000000, 0.0001389000000000, -0.0000483900000000 ] - [ 0.0005389500000000, 0.0001318000000000, 0.0002341300000000 ] - [ -0.0003618600000000, 0.0003852600000000, -0.0000762900000000 ] - [ -0.0000276700000000, 0.0002251200000000, -0.0000710900000000 ] - [ -0.0005410800000000, -0.0006525000000000, 0.0002849900000000 ] - [ 0.0003837800000000, 0.0004241900000000, -0.0000466200000000 ] - [ 0.0000825300000000, 0.0001355400000000, -0.0000733500000000 ] - [ 0.0000983200000000, 0.0001758900000000, 0.0000388700000000 ] - [ 0.0001364400000000, -0.0012648500000000, 0.0005419200000000 ] - [ 0.0003667100000000, -0.0001576500000000, -0.0001467800000000 ] - [ 0.0002803200000000, -0.0002618100000000, -0.0002871100000000 ] - [ -0.0000052000000000, -0.0001081000000000, 0.0002034700000000 ] - [ 0.0012515100000000, -0.0006363900000000, -0.0001936300000000 ] - [ -0.0001252000000000, 0.0019571700000000, 0.0026745100000000 ] - [ -0.0002101900000000, 0.0003085000000000, -0.0000194000000000 ] - [ -0.0000535600000000, 0.0001466400000000, -0.0001163600000000 ] - [ -0.0003049300000000, -0.0002561600000000, -0.0002273600000000 ] - [ 0.0000060100000000, -0.0001746100000000, 0.0001520000000000 ] - [ 0.0003687300000000, -0.0003842300000000, 0.0002823300000000 ] - [ -0.0000785900000000, -0.0002774500000000, 0.0001264400000000 ] - [ -0.0002591900000000, -0.0002794400000000, 0.0000167700000000 ] - [ 0.0001689300000000, -0.0000833900000000, -0.0002867300000000 ] - [ 0.0000868500000000, -0.0000897200000000, -0.0002273900000000 ] - [ -0.0001156700000000, -0.0001417700000000, -0.0000134900000000 ] - [ 0.0001509900000000, -0.0002751900000000, 0.0000096100000000 ] - [ 0.0000621000000000, -0.0003399200000000, 0.0004921200000000 ] - [ 0.0023597400000000, 0.0002058300000000, -0.0011028100000000 ] - [ 0.0001121500000000, -0.0001004400000000, 0.0001546100000000 ] - [ 0.0010655300000000, 0.0004696900000000, -0.0003206000000000 ] - [ 0.0002709800000000, -0.0003869500000000, 0.0014111800000000 ] - [ -0.0003948000000000, -0.0010696800000000, 0.0022074600000000 ] - [ -0.0002020800000000, -0.0002197500000000, 0.0002235900000000 ] - [ -0.0002012500000000, -0.0000473300000000, -0.0001554600000000 ] - [ 0.0002132300000000, -0.0000570500000000, 0.0000512600000000 ] - [ 0.0000081800000000, -0.0000312100000000, -0.0000366300000000 ] - [ 0.0000663600000000, -0.0000110000000000, 0.0001577500000000 ] - [ 0.0020156100000000, 0.0034592700000000, 0.0002282500000000 ] - [ 0.0007622300000000, 0.0000023100000000, 0.0000991700000000 ] - [ 0.0002776300000000, -0.0000106400000000, -0.0002848000000000 ] - [ 0.0006329000000000, -0.0001050300000000, 0.0002696600000000 ] - [ -0.0003310300000000, -0.0000674200000000, -0.0001257200000000 ] - [ -0.0005295900000000, 0.0005250400000000, 0.0003437900000000 ] - [ -0.0009639900000000, 0.0008308400000000, 0.0005351700000000 ] - [ -0.0003853000000000, -0.0000379200000000, 0.0000466800000000 ] - [ 0.0003330300000000, 0.0052028100000000, -0.0030558800000000 ] - [ 0.0000261500000000, 0.0000670300000000, 0.0001210200000000 ] - [ -0.0001836600000000, 0.0001354200000000, 0.0000273000000000 ] - [ -0.0001850800000000, 0.0001414100000000, 0.0002096900000000 ] - [ -0.0000451100000000, -0.0000794400000000, -0.0002685300000000 ] - [ 0.0004961000000000, 0.0000685200000000, -0.0000885100000000 ] - [ 0.0001703500000000, 0.0001870400000000, -0.0002481700000000 ] - [ 0.0002709300000000, 0.0000465700000000, -0.0000903000000000 ] - [ -0.0012913100000000, 0.0000798400000000, 0.0000812100000000 ] - [ 0.0001595000000000, -0.0001304100000000, 0.0001106700000000 ] - [ -0.0002979800000000, -0.0002728200000000, 0.0000543200000000 ] - [ -0.0001569800000000, -0.0001523400000000, 0.0001822300000000 ] - [ 0.0079223400000000, -0.0021734700000000, -0.0026015300000000 ] - [ 0.0026594900000000, -0.0007827000000000, -0.0000875400000000 ] - [ 0.0001741900000000, -0.0001064700000000, -0.0003234300000000 ] - [ 0.0002706800000000, -0.0001987600000000, -0.0001401500000000 ] - [ 0.0004354300000000, 0.0004750500000000, 0.0009989800000000 ] - [ 0.0029510600000000, 0.0003079000000000, -0.0002993900000000 ] - [ 0.0011983800000000, 0.0002838300000000, 0.0001936000000000 ] - [ -0.0006201300000000, 0.0001151900000000, 0.0001390200000000 ] - [ -0.0007189600000000, 0.0002098500000000, -0.0002497800000000 ] - [ -0.0001439600000000, 0.0000889500000000, -0.0002958300000000 ] - [ -0.0001444100000000, 0.0004141100000000, -0.0003989300000000 ] - [ -0.0000909400000000, 0.0001252400000000, -0.0001394300000000 ] - [ 0.0000713000000000, 0.0009629000000000, -0.0004626400000000 ] - [ -0.0010379800000000, -0.0007287000000000, 0.0000900200000000 ] - [ 0.0000297600000000, 0.0001607400000000, 0.0000188200000000 ] - [ 0.0001117400000000, 0.0001033900000000, -0.0000294200000000 ] - [ 0.0012240000000000, 0.0000641200000000, 0.0006340100000000 ] - [ -0.0005346000000000, -0.0000666300000000, -0.0001076100000000 ] - [ 0.0000403700000000, 0.0002673100000000, 0.0001230100000000 ] - [ -0.0001204300000000, 0.0000885400000000, -0.0000797500000000 ] - [ 0.0009397600000000, -0.0001549600000000, -0.0000865200000000 ] - [ -0.0009051900000000, -0.0000945300000000, -0.0002493800000000 ] - [ -0.0003193400000000, -0.0001220800000000, 0.0001003900000000 ] - [ -0.0005345200000000, -0.0000348300000000, -0.0001764900000000 ] - [ 0.0000679100000000, -0.0007265800000000, 0.0008759600000000 ] - [ -0.0000390000000000, 0.0002548300000000, -0.0001252400000000 ] - [ 0.0010526200000000, 0.0001216300000000, 0.0002943700000000 ] - [ 0.0002839100000000, -0.0001085200000000, 0.0000127000000000 ] - [ 0.0004139000000000, 0.0005895400000000, 0.0017782500000000 ] - [ -0.0007603000000000, 0.0002517600000000, -0.0006375200000000 ] - [ 0.0018823300000000, 0.0004732700000000, -0.0000924700000000 ] - [ -0.0001046600000000, 0.0002173800000000, 0.0003513200000000 ] - [ 0.0016528200000000, -0.0014725100000000, -0.0001838800000000 ] - [ -0.0003911100000000, 0.0001911500000000, -0.0004452300000000 ] - [ -0.0000354100000000, 0.0002342700000000, -0.0002142700000000 ] - [ -0.0002208400000000, 0.0001267600000000, -0.0006257200000000 ] - [ 0.0008552400000000, 0.0001826700000000, -0.0001764800000000 ] - [ -0.0006593000000000, 0.0001090800000000, -0.0001288600000000 ] - [ -0.0005005000000000, -0.0002488100000000, 0.0001807300000000 ] - [ -0.0002807900000000, 0.0000305400000000, -0.0004307600000000 ] - [ -0.0004934700000000, -0.0003113700000000, -0.0001920100000000 ] - [ -0.0001387200000000, 0.0001567000000000, 0.0002545700000000 ] - [ -0.0000133800000000, 0.0000428000000000, 0.0003220500000000 ] - [ 0.0003331600000000, 0.0000220400000000, 0.0001704800000000 ]- atom: 41 displacement: [ -0.0099999730884809, 0.0000000000000000, 0.0000231997770880 ] forces: - [ -0.0215456900000000, -0.0015189400000000, -0.0107802700000000 ] - [ 0.0002915300000000, 0.0001519900000000, -0.0000183700000000 ] - [ -0.0003864300000000, -0.0002029700000000, -0.0003194100000000 ] - [ 0.0000191600000000, 0.0004938800000000, 0.0004665100000000 ] - [ -0.0001074300000000, 0.0000420300000000, -0.0009796800000000 ] - [ 0.0002512200000000, -0.0001280800000000, 0.0003091000000000 ] - [ -0.0005532100000000, -0.0000807200000000, -0.0003887400000000 ] - [ -0.0000472300000000, 0.0002690600000000, 0.0001509700000000 ] - [ 0.0000624500000000, -0.0004165100000000, 0.0005304400000000 ] - [ 0.0000668800000000, -0.0000784200000000, 0.0002696900000000 ] - [ 0.0001515800000000, -0.0000672800000000, 0.0000468300000000 ] - [ -0.0005000100000000, 0.0000540300000000, 0.0006586900000000 ] - [ 0.0004447600000000, -0.0002734100000000, -0.0000936900000000 ] - [ 0.0009749700000000, 0.0002572300000000, 0.0003728500000000 ] - [ -0.0005235300000000, -0.0000313600000000, 0.0002690900000000 ] - [ 0.0005349600000000, -0.0000909000000000, -0.0000532100000000 ] - [ -0.0001125700000000, -0.0002798900000000, -0.0000921600000000 ] - [ 0.0009431200000000, -0.0001723500000000, -0.0000059100000000 ] - [ 0.0000329900000000, -0.0000578200000000, -0.0001261100000000 ] - [ 0.0006095900000000, -0.0002709100000000, 0.0002416400000000 ] - [ -0.0201674600000000, 0.0050377300000000, 0.0116607300000000 ] - [ 0.0006704900000000, -0.0000661200000000, -0.0000946900000000 ] - [ -0.0003593000000000, -0.0002354900000000, -0.0001192300000000 ] - [ -0.0002030600000000, -0.0002268200000000, -0.0000773300000000 ] - [ 0.0052213800000000, 0.0002414500000000, 0.0018178000000000 ] - [ -0.0009909200000000, -0.0042126400000000, -0.0013263400000000 ] - [ -0.0009608100000000, -0.0003621400000000, -0.0003679700000000 ] - [ 0.0001248500000000, -0.0001728200000000, 0.0003641500000000 ] - [ -0.0011845600000000, -0.0006107000000000, 0.0000082300000000 ] - [ 0.0000461700000000, -0.0000507900000000, -0.0004697800000000 ] - [ -0.0001595600000000, -0.0001781100000000, -0.0003338400000000 ] - [ -0.0001669500000000, -0.0002191900000000, -0.0002095500000000 ] - [ -0.0001506400000000, 0.0000080300000000, 0.0002488200000000 ] - [ -0.0004031500000000, 0.0000993300000000, -0.0000657400000000 ] - [ 0.0002457900000000, 0.0002552300000000, -0.0000881600000000 ] - [ -0.0003344000000000, 0.0002256800000000, -0.0001237200000000 ] - [ 0.0052105900000000, 0.0024444400000000, 0.0023737700000000 ] - [ -0.0005071000000000, 0.0000817900000000, -0.0000450500000000 ] - [ 0.0000933200000000, 0.0002164500000000, 0.0003500800000000 ] - [ 0.0002327800000000, 0.0001796200000000, -0.0000779800000000 ] - [ 0.0558918200000000, 0.0037436100000000, -0.0021922400000000 ] - [ -0.0002783000000000, 0.0001083000000000, 0.0000542700000000 ] - [ 0.0000706200000000, 0.0002680500000000, 0.0000840800000000 ] - [ -0.0003598100000000, -0.0001253100000000, -0.0001752000000000 ] - [ 0.0000503800000000, 0.0003096300000000, 0.0000241000000000 ] - [ -0.0007320400000000, 0.0003159300000000, -0.0002581200000000 ] - [ 0.0001724900000000, 0.0000598800000000, 0.0000545300000000 ] - [ -0.0001639700000000, 0.0002227700000000, 0.0000466000000000 ] - [ 0.0007141900000000, 0.0010066900000000, -0.0003202200000000 ] - [ -0.0002148300000000, -0.0000865100000000, 0.0000205900000000 ] - [ 0.0000868800000000, 0.0002027500000000, 0.0000461300000000 ] - [ 0.0000731400000000, 0.0001625900000000, -0.0000645600000000 ] - [ 0.0001107700000000, 0.0008813900000000, -0.0007258700000000 ] - [ -0.0001243800000000, -0.0002381300000000, -0.0000244700000000 ] - [ -0.0000367700000000, -0.0001342100000000, 0.0001169800000000 ] - [ 0.0002499900000000, -0.0002887000000000, -0.0003766200000000 ] - [ -0.0014337700000000, 0.0009850600000000, 0.0002233000000000 ] - [ -0.0000454900000000, -0.0016061700000000, -0.0026541200000000 ] - [ 0.0000436600000000, 0.0000278200000000, 0.0000481600000000 ] - [ -0.0001175100000000, 0.0001911300000000, 0.0001423100000000 ] - [ 0.0000621400000000, -0.0001382400000000, 0.0004001600000000 ] - [ -0.0002503300000000, -0.0002204600000000, 0.0000191400000000 ] - [ -0.0006265800000000, -0.0000097500000000, -0.0001032200000000 ] - [ -0.0001667600000000, -0.0001184000000000, 0.0000444200000000 ] - [ 0.0002717400000000, 0.0000654700000000, -0.0003129300000000 ] - [ -0.0001613300000000, -0.0001357600000000, -0.0000087400000000 ] - [ -0.0000781800000000, -0.0001299000000000, -0.0000671200000000 ] - [ 0.0001254900000000, -0.0000772200000000, -0.0002822700000000 ] - [ -0.0001609700000000, 0.0000592800000000, 0.0002796200000000 ] - [ -0.0000717200000000, 0.0001240900000000, -0.0002042000000000 ] - [ -0.0023398100000000, -0.0004211700000000, 0.0013739700000000 ] - [ -0.0001242300000000, -0.0001182300000000, 0.0001405300000000 ] - [ -0.0011363400000000, -0.0005196500000000, 0.0002985200000000 ] - [ -0.0003367300000000, 0.0003344600000000, -0.0014389300000000 ] - [ 0.0003664300000000, 0.0010386000000000, -0.0022525700000000 ] - [ 0.0001343700000000, 0.0001690000000000, -0.0002393700000000 ] - [ 0.0002652200000000, 0.0000057900000000, 0.0001818900000000 ] - [ -0.0001463400000000, 0.0000121100000000, -0.0000239800000000 ] - [ 0.0000586800000000, -0.0000138700000000, 0.0000633200000000 ] - [ 0.0000012000000000, -0.0000336300000000, -0.0001316400000000 ] - [ -0.0010354600000000, -0.0035755200000000, -0.0003432400000000 ] - [ 0.0001889100000000, -0.0001287800000000, -0.0002355000000000 ] - [ 0.0006725000000000, -0.0001162800000000, 0.0001484600000000 ] - [ 0.0003173000000000, -0.0000203100000000, -0.0004100100000000 ] - [ -0.0006197000000000, -0.0000585700000000, 0.0002628600000000 ] - [ -0.0004220200000000, -0.0006538100000000, -0.0002085300000000 ] - [ 0.0000268900000000, -0.0009592000000000, -0.0004007200000000 ] - [ -0.0005658000000000, -0.0000861000000000, 0.0000905500000000 ] - [ -0.0007918500000000, -0.0050710500000000, 0.0033815800000000 ] - [ -0.0004728000000000, 0.0000938300000000, 0.0001659900000000 ] - [ -0.0002630900000000, 0.0000269200000000, 0.0002595800000000 ] - [ -0.0002610300000000, 0.0000197800000000, 0.0000745900000000 ] - [ 0.0004907800000000, 0.0002389200000000, -0.0000156500000000 ] - [ -0.0000513500000000, 0.0000930100000000, -0.0001946900000000 ] - [ 0.0002713100000000, -0.0000256100000000, -0.0000313000000000 ] - [ 0.0001749000000000, 0.0001154600000000, -0.0001935600000000 ] - [ 0.0007731100000000, -0.0004710700000000, 0.0001836400000000 ] - [ -0.0006858500000000, -0.0002631000000000, 0.0001572200000000 ] - [ -0.0002281200000000, -0.0001204200000000, 0.0002141800000000 ] - [ -0.0003666000000000, -0.0002406600000000, 0.0000856200000000 ] - [ -0.0074347400000000, 0.0017795600000000, 0.0023277600000000 ] - [ -0.0021483100000000, 0.0003906800000000, -0.0001865400000000 ] - [ 0.0003500900000000, -0.0002880900000000, 0.0000582400000000 ] - [ 0.0002508800000000, -0.0001929700000000, -0.0001292900000000 ] - [ 0.0003545800000000, -0.0001443800000000, -0.0004107000000000 ] - [ -0.0020611700000000, 0.0000342100000000, 0.0008732100000000 ] - [ -0.0003931900000000, 0.0000480800000000, 0.0003842100000000 ] - [ 0.0014351300000000, 0.0002186800000000, 0.0004395200000000 ] - [ -0.0000891400000000, 0.0001221000000000, -0.0003286500000000 ] - [ -0.0006670700000000, 0.0002432400000000, -0.0002829000000000 ] - [ -0.0006649300000000, -0.0000797800000000, -0.0001802300000000 ] - [ -0.0007211600000000, 0.0002067400000000, -0.0004407600000000 ] - [ -0.0000280600000000, -0.0007327800000000, 0.0004864500000000 ] - [ 0.0010848300000000, 0.0009644800000000, -0.0000695100000000 ] - [ 0.0000129100000000, 0.0000698800000000, 0.0000023800000000 ] - [ -0.0000676200000000, 0.0001272700000000, 0.0000532800000000 ] - [ -0.0012769300000000, 0.0001673300000000, -0.0006645900000000 ] - [ 0.0004918400000000, 0.0002982000000000, 0.0000831500000000 ] - [ -0.0000766600000000, -0.0000347700000000, -0.0001513000000000 ] - [ 0.0000725100000000, 0.0001418300000000, 0.0000562100000000 ] - [ -0.0016995100000000, -0.0000733900000000, 0.0000578100000000 ] - [ 0.0001517800000000, -0.0001331300000000, 0.0002201000000000 ] - [ -0.0004359100000000, -0.0001041700000000, -0.0001330700000000 ] - [ -0.0002212000000000, -0.0001925200000000, 0.0001461200000000 ] - [ 0.0006945500000000, 0.0004958900000000, -0.0008489100000000 ] - [ 0.0007979500000000, -0.0004833100000000, 0.0001563100000000 ] - [ -0.0002926700000000, -0.0003595500000000, -0.0002993400000000 ] - [ 0.0004744200000000, -0.0001177900000000, 0.0000200400000000 ] - [ -0.0002345200000000, -0.0001927600000000, -0.0010180200000000 ] - [ 0.0009463500000000, 0.0001433100000000, 0.0014030000000000 ] - [ -0.0017081600000000, -0.0000749300000000, 0.0008489300000000 ] - [ 0.0002898000000000, 0.0001753900000000, 0.0004091900000000 ] - [ -0.0018508400000000, 0.0018741200000000, -0.0005675000000000 ] - [ 0.0002097500000000, 0.0002056400000000, -0.0003160000000000 ] - [ -0.0001471800000000, 0.0001601400000000, -0.0005466700000000 ] - [ 0.0000374300000000, 0.0002681700000000, -0.0001331000000000 ] - [ -0.0010975100000000, -0.0001429000000000, -0.0003769800000000 ] - [ 0.0004229400000000, -0.0000674500000000, -0.0004233100000000 ] - [ 0.0002639300000000, 0.0002853800000000, -0.0007299100000000 ] - [ 0.0000386500000000, 0.0000094800000000, -0.0001180200000000 ] - [ 0.0007361600000000, 0.0003552100000000, 0.0007449300000000 ] - [ 0.0003820900000000, -0.0001139100000000, 0.0002972200000000 ] - [ 0.0002532200000000, -0.0000040700000000, 0.0002270500000000 ] - [ -0.0000948900000000, 0.0000175000000000, 0.0003804000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0055799000000000, 0.0072556100000000, 0.0048702000000000 ] - [ -0.0002889500000000, 0.0000675300000000, 0.0000821400000000 ] - [ -0.0003518500000000, -0.0002102600000000, -0.0003514900000000 ] - [ -0.0006513400000000, -0.0004500300000000, -0.0006884900000000 ] - [ -0.0000452400000000, 0.0001517500000000, -0.0000763800000000 ] - [ 0.0001049100000000, 0.0000547500000000, -0.0001584800000000 ] - [ 0.0003762100000000, 0.0005150100000000, -0.0001242600000000 ] - [ -0.0003152200000000, -0.0000628800000000, -0.0003934400000000 ] - [ -0.0004844000000000, -0.0010325500000000, 0.0006678800000000 ] - [ -0.0000913600000000, -0.0000042700000000, 0.0001845100000000 ] - [ -0.0000725200000000, -0.0000298600000000, 0.0001724000000000 ] - [ 0.0000106100000000, 0.0000071200000000, 0.0000839700000000 ] - [ 0.0003009200000000, -0.0000782200000000, 0.0002127100000000 ] - [ 0.0003198100000000, -0.0003038400000000, 0.0002103300000000 ] - [ 0.0006617500000000, -0.0003176300000000, 0.0000687700000000 ] - [ 0.0004378000000000, -0.0001468300000000, 0.0001316000000000 ] - [ 0.0003082400000000, -0.0004118200000000, 0.0002034200000000 ] - [ 0.0002807800000000, -0.0002828000000000, 0.0000693900000000 ] - [ 0.0004879500000000, -0.0004708000000000, -0.0000211700000000 ] - [ 0.0003967500000000, -0.0002248200000000, 0.0002073200000000 ] - [ -0.0069457500000000, 0.0086867700000000, 0.0071644000000000 ] - [ -0.0004450000000000, -0.0000924900000000, 0.0002150100000000 ] - [ -0.0003211300000000, -0.0002289300000000, -0.0001758200000000 ] - [ -0.0004832300000000, -0.0002549500000000, -0.0000999600000000 ] - [ 0.0011199100000000, -0.0000161800000000, 0.0006161900000000 ] - [ 0.0002078100000000, 0.0012199100000000, 0.0012118200000000 ] - [ 0.0011694900000000, 0.0003920200000000, 0.0003348600000000 ] - [ 0.0002177100000000, -0.0000940000000000, 0.0002931800000000 ] - [ -0.0000520200000000, -0.0005644600000000, 0.0002258900000000 ] - [ -0.0002431900000000, -0.0002265400000000, -0.0003214700000000 ] - [ -0.0001630600000000, -0.0001520800000000, -0.0003442900000000 ] - [ -0.0002584200000000, -0.0001431500000000, -0.0003731100000000 ] - [ -0.0000661000000000, 0.0003809200000000, -0.0002815600000000 ] - [ -0.0001099600000000, 0.0003010400000000, -0.0001577100000000 ] - [ -0.0001840700000000, 0.0002859100000000, -0.0001030300000000 ] - [ -0.0002186300000000, 0.0002478400000000, -0.0001223700000000 ] - [ 0.0002813700000000, 0.0008710700000000, 0.0045512600000000 ] - [ 0.0000403100000000, 0.0001108300000000, -0.0000354900000000 ] - [ 0.0000626400000000, 0.0002347400000000, 0.0002088600000000 ] - [ 0.0000607200000000, 0.0002092200000000, 0.0002428500000000 ] - [ -0.0038444500000000, -0.0320343400000000, -0.0132132600000000 ] - [ 0.0002132500000000, 0.0000694500000000, -0.0002265200000000 ] - [ 0.0000519200000000, 0.0002113000000000, 0.0001267500000000 ] - [ 0.0004418100000000, 0.0003112700000000, 0.0003152400000000 ] - [ -0.0000103600000000, 0.0002678400000000, -0.0000582200000000 ] - [ -0.0000045100000000, 0.0001995400000000, 0.0000630300000000 ] - [ -0.0002577100000000, 0.0006185200000000, 0.0003620600000000 ] - [ -0.0000966500000000, 0.0002573200000000, -0.0000426200000000 ] - [ -0.0007057700000000, 0.0001040100000000, -0.0005470500000000 ] - [ 0.0002096900000000, 0.0001963000000000, -0.0000296200000000 ] - [ 0.0000545600000000, 0.0002049100000000, 0.0000196700000000 ] - [ 0.0001326500000000, 0.0002234400000000, 0.0000624500000000 ] - [ 0.0000405800000000, 0.0017866100000000, -0.0011307200000000 ] - [ 0.0001743800000000, -0.0001873000000000, -0.0001110700000000 ] - [ 0.0000923100000000, -0.0001818000000000, -0.0000601000000000 ] - [ 0.0001187900000000, -0.0001636300000000, -0.0000113600000000 ] - [ -0.0003331800000000, 0.0002905500000000, 0.0000256200000000 ] - [ 0.0001422800000000, 0.0005371200000000, 0.0008038800000000 ] - [ -0.0003801700000000, 0.0001702700000000, -0.0001208300000000 ] - [ -0.0000769000000000, 0.0001633900000000, 0.0000335900000000 ] - [ -0.0001646400000000, -0.0002444200000000, -0.0000158000000000 ] - [ -0.0001361900000000, -0.0002066900000000, 0.0001012700000000 ] - [ -0.0013172800000000, -0.0001947800000000, 0.0005061400000000 ] - [ -0.0000902900000000, -0.0001996500000000, 0.0000801000000000 ] - [ 0.0005822700000000, 0.0007382800000000, -0.0002012700000000 ] - [ 0.0000123500000000, -0.0000401800000000, -0.0001946600000000 ] - [ -0.0000006000000000, -0.0001032400000000, -0.0001740600000000 ] - [ -0.0000184100000000, -0.0001032000000000, -0.0001210400000000 ] - [ -0.0001981500000000, -0.0003587900000000, 0.0003770100000000 ] - [ -0.0000588300000000, -0.0001537400000000, 0.0001809900000000 ] - [ -0.0004971100000000, -0.0003363800000000, 0.0000213500000000 ] - [ 0.0000245900000000, -0.0001206600000000, 0.0001124500000000 ] - [ -0.0001879100000000, -0.0001835400000000, 0.0000456200000000 ] - [ 0.0003234900000000, -0.0002289000000000, 0.0003639200000000 ] - [ -0.0005071700000000, -0.0010395700000000, 0.0007325500000000 ] - [ -0.0000268900000000, -0.0000888800000000, 0.0000051600000000 ] - [ -0.0007602600000000, 0.0005237200000000, -0.0004022500000000 ] - [ 0.0000766000000000, 0.0000369400000000, -0.0000034500000000 ] - [ 0.0000040600000000, -0.0000151700000000, 0.0000284400000000 ] - [ 0.0000328200000000, -0.0000047000000000, 0.0000897800000000 ] - [ 0.0038383200000000, 0.0009274900000000, 0.0019598600000000 ] - [ 0.0004817600000000, -0.0000715900000000, -0.0001266500000000 ] - [ 0.0004827000000000, -0.0000821500000000, -0.0000251700000000 ] - [ 0.0005121600000000, -0.0001429700000000, 0.0001394600000000 ] - [ -0.0004154200000000, 0.0000215900000000, 0.0000229900000000 ] - [ -0.0004739700000000, 0.0001416900000000, 0.0001124100000000 ] - [ -0.0003916800000000, 0.0004452300000000, 0.0004664000000000 ] - [ -0.0005162500000000, -0.0000144700000000, 0.0000951100000000 ] - [ 0.0042862400000000, -0.0008108900000000, -0.0039970800000000 ] - [ -0.0002503700000000, 0.0000463500000000, 0.0001035100000000 ] - [ -0.0002553500000000, 0.0000439700000000, 0.0002453400000000 ] - [ -0.0001787800000000, 0.0001114100000000, 0.0001809900000000 ] - [ 0.0001774900000000, 0.0002541300000000, -0.0001203500000000 ] - [ 0.0002675500000000, 0.0001037700000000, -0.0001100600000000 ] - [ 0.0004842600000000, 0.0003760900000000, -0.0002346400000000 ] - [ 0.0002377100000000, 0.0000688000000000, -0.0001281200000000 ] - [ 0.0000682800000000, -0.0000009400000000, -0.0002313700000000 ] - [ -0.0002378500000000, -0.0001695900000000, 0.0001158300000000 ] - [ -0.0002858900000000, -0.0001456900000000, 0.0001622700000000 ] - [ -0.0001860100000000, -0.0001396600000000, 0.0001771600000000 ] - [ -0.0012737400000000, 0.0002774000000000, 0.0001741200000000 ] - [ 0.0009705700000000, -0.0004536300000000, 0.0000377300000000 ] - [ 0.0002148900000000, -0.0002748700000000, -0.0002277700000000 ] - [ 0.0002396800000000, -0.0002292700000000, -0.0000966400000000 ] - [ 0.0008220200000000, 0.0000911600000000, 0.0003380800000000 ] - [ -0.0002791000000000, 0.0002158000000000, 0.0003737400000000 ] - [ 0.0004469400000000, 0.0001472800000000, 0.0003878000000000 ] - [ 0.0003652500000000, 0.0001719500000000, 0.0002842100000000 ] - [ -0.0004467800000000, 0.0001941100000000, -0.0002633900000000 ] - [ -0.0003838200000000, 0.0002026700000000, -0.0002520300000000 ] - [ -0.0003462200000000, 0.0003554200000000, -0.0003986400000000 ] - [ -0.0007367300000000, 0.0004216500000000, -0.0004654000000000 ] - [ -0.0000016400000000, -0.0000745200000000, 0.0000244600000000 ] - [ -0.0004664900000000, -0.0004524200000000, -0.0001127500000000 ] - [ 0.0000589700000000, 0.0001298200000000, 0.0000236200000000 ] - [ 0.0000264500000000, 0.0001302200000000, -0.0000167400000000 ] - [ 0.0002354100000000, 0.0005067600000000, 0.0003752600000000 ] - [ -0.0000150800000000, 0.0001622700000000, 0.0000352700000000 ] - [ 0.0001643900000000, 0.0001291500000000, -0.0002128200000000 ] - [ -0.0001938900000000, -0.0000039700000000, -0.0000632700000000 ] - [ -0.0001540100000000, -0.0006352600000000, -0.0000173500000000 ] - [ -0.0003713600000000, -0.0001212800000000, 0.0000341800000000 ] - [ -0.0003750300000000, -0.0001254700000000, 0.0000101000000000 ] - [ -0.0004433700000000, -0.0000812700000000, -0.0000319000000000 ] - [ 0.0000261100000000, 0.0001451600000000, 0.0003172000000000 ] - [ 0.0004114300000000, 0.0000499200000000, 0.0001371400000000 ] - [ 0.0005452400000000, -0.0004127900000000, -0.0005304300000000 ] - [ 0.0003588700000000, -0.0001223000000000, -0.0000116100000000 ] - [ 0.0000480100000000, 0.0001046700000000, 0.0001290500000000 ] - [ -0.0001761400000000, 0.0002453800000000, 0.0000901800000000 ] - [ 0.0001392100000000, 0.0059060000000000, -0.0019387000000000 ] - [ 0.0000709300000000, 0.0002367400000000, 0.0004052700000000 ] - [ -0.0005918900000000, 0.0056079700000000, -0.0023246300000000 ] - [ -0.0001244900000000, 0.0001652700000000, -0.0003549200000000 ] - [ -0.0000612500000000, 0.0002112600000000, -0.0003797200000000 ] - [ -0.0001363600000000, 0.0001729100000000, -0.0004621600000000 ] - [ -0.0000217100000000, -0.0000761900000000, -0.0005592500000000 ] - [ -0.0000606200000000, -0.0000233000000000, -0.0003356500000000 ] - [ -0.0001994300000000, 0.0002399600000000, -0.0000175200000000 ] - [ -0.0001517500000000, 0.0003015600000000, -0.0001043700000000 ] - [ -0.0001443500000000, -0.0002962600000000, 0.0001265900000000 ] - [ 0.0004005800000000, -0.0001083000000000, 0.0003890900000000 ] - [ 0.0001231900000000, 0.0000590100000000, 0.0002394800000000 ] - [ 0.0001531000000000, 0.0000332200000000, 0.0002435900000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0063090300000000, -0.0074348400000000, -0.0051217600000000 ] - [ -0.0004972200000000, -0.0002618700000000, -0.0003889800000000 ] - [ -0.0004367400000000, 0.0000253000000000, 0.0000562300000000 ] - [ -0.0001326300000000, 0.0002618800000000, 0.0003939700000000 ] - [ 0.0002050500000000, -0.0001392500000000, -0.0002951000000000 ] - [ 0.0000557200000000, -0.0000419300000000, -0.0002122700000000 ] - [ -0.0002314500000000, -0.0004792200000000, -0.0002469500000000 ] - [ 0.0004813000000000, 0.0000809400000000, 0.0000256700000000 ] - [ 0.0003134700000000, 0.0010446300000000, -0.0002873500000000 ] - [ -0.0000717300000000, 0.0000164900000000, 0.0001874900000000 ] - [ -0.0000893600000000, 0.0000419300000000, 0.0001994800000000 ] - [ -0.0001734300000000, 0.0000055200000000, 0.0002891400000000 ] - [ 0.0004852100000000, -0.0001123800000000, 0.0000854200000000 ] - [ 0.0004675800000000, 0.0001174500000000, 0.0000885600000000 ] - [ 0.0001247300000000, 0.0001255400000000, 0.0002331000000000 ] - [ 0.0003532600000000, -0.0000381600000000, 0.0001679200000000 ] - [ 0.0003423800000000, -0.0000188300000000, -0.0000630600000000 ] - [ 0.0003733700000000, -0.0001524700000000, 0.0000700100000000 ] - [ 0.0001632300000000, 0.0000353200000000, 0.0001618200000000 ] - [ 0.0002590500000000, -0.0002109900000000, -0.0000640800000000 ] - [ 0.0063175800000000, -0.0091870100000000, -0.0073418700000000 ] - [ -0.0002070800000000, -0.0003471600000000, -0.0003596400000000 ] - [ -0.0003326000000000, -0.0002100100000000, 0.0000365000000000 ] - [ -0.0001664900000000, -0.0001849700000000, -0.0000384100000000 ] - [ -0.0007386000000000, -0.0002895800000000, 0.0000375100000000 ] - [ 0.0002363900000000, -0.0015407800000000, -0.0005524000000000 ] - [ -0.0007581800000000, -0.0006928800000000, 0.0003306500000000 ] - [ 0.0001935100000000, -0.0002104800000000, 0.0003699300000000 ] - [ -0.0003628900000000, 0.0002613700000000, -0.0008925400000000 ] - [ -0.0001656700000000, -0.0000776700000000, -0.0003367600000000 ] - [ -0.0002497400000000, -0.0001510400000000, -0.0003180000000000 ] - [ -0.0001536600000000, -0.0001618200000000, -0.0002859500000000 ] - [ -0.0001632000000000, -0.0000016100000000, 0.0001201200000000 ] - [ -0.0001210000000000, 0.0000763300000000, -0.0000000400000000 ] - [ -0.0000466500000000, 0.0000913300000000, -0.0000571500000000 ] - [ -0.0000141100000000, 0.0001311200000000, -0.0000383400000000 ] - [ -0.0000775100000000, -0.0005242600000000, -0.0043595600000000 ] - [ 0.0001886500000000, 0.0002690200000000, 0.0001974900000000 ] - [ 0.0001699600000000, 0.0001420500000000, -0.0000519800000000 ] - [ 0.0001705100000000, 0.0001689700000000, -0.0000851600000000 ] - [ 0.0038174000000000, 0.0326831300000000, 0.0132333900000000 ] - [ -0.0000226900000000, 0.0003792800000000, 0.0002530200000000 ] - [ 0.0001381700000000, 0.0002361700000000, -0.0001067700000000 ] - [ -0.0002553600000000, 0.0001358100000000, -0.0002988100000000 ] - [ -0.0001799400000000, 0.0001793200000000, 0.0000354600000000 ] - [ -0.0001882500000000, 0.0002484700000000, -0.0000866900000000 ] - [ 0.0000663100000000, -0.0001720400000000, -0.0003889300000000 ] - [ -0.0000932200000000, 0.0001911700000000, 0.0000197800000000 ] - [ 0.0008808900000000, 0.0002271400000000, 0.0005262000000000 ] - [ -0.0000394100000000, 0.0001420200000000, 0.0000030900000000 ] - [ 0.0001160400000000, 0.0001333500000000, -0.0000478000000000 ] - [ 0.0000359100000000, 0.0001154400000000, -0.0000908300000000 ] - [ 0.0002089200000000, -0.0021506200000000, 0.0009411600000000 ] - [ 0.0000727300000000, -0.0002076200000000, -0.0000591900000000 ] - [ 0.0001541900000000, -0.0002135400000000, -0.0001128400000000 ] - [ 0.0001273200000000, -0.0002316700000000, -0.0001620200000000 ] - [ 0.0001696800000000, 0.0000433500000000, 0.0000016000000000 ] - [ -0.0003232800000000, -0.0002083700000000, -0.0007893700000000 ] - [ 0.0002093700000000, 0.0001664200000000, 0.0001441800000000 ] - [ -0.0000929500000000, 0.0001733400000000, -0.0000079100000000 ] - [ -0.0000809700000000, -0.0001490200000000, 0.0001859900000000 ] - [ -0.0001099800000000, -0.0001875800000000, 0.0000689200000000 ] - [ 0.0010689800000000, -0.0002039300000000, -0.0003400100000000 ] - [ -0.0001546200000000, -0.0001950800000000, 0.0000911700000000 ] - [ -0.0005783300000000, -0.0009582200000000, -0.0000908500000000 ] - [ -0.0000024700000000, -0.0001783600000000, -0.0000982400000000 ] - [ 0.0000105300000000, -0.0001152600000000, -0.0001204100000000 ] - [ 0.0000286200000000, -0.0001150700000000, -0.0001736400000000 ] - [ 0.0001904500000000, 0.0001398900000000, -0.0000823600000000 ] - [ 0.0000489500000000, -0.0000645100000000, 0.0001126900000000 ] - [ 0.0005103700000000, 0.0001265900000000, 0.0002684800000000 ] - [ -0.0000352200000000, -0.0000973300000000, 0.0001815800000000 ] - [ 0.0001278900000000, 0.0001401800000000, -0.0000699600000000 ] - [ -0.0003973300000000, 0.0001860100000000, -0.0003944000000000 ] - [ 0.0004547700000000, 0.0010002800000000, -0.0007441700000000 ] - [ -0.0000398100000000, 0.0000439600000000, -0.0000316400000000 ] - [ 0.0008405000000000, -0.0005753200000000, 0.0004321800000000 ] - [ -0.0000081500000000, -0.0000827100000000, 0.0000297400000000 ] - [ 0.0000634700000000, -0.0000307700000000, -0.0000040000000000 ] - [ 0.0000350100000000, -0.0000406900000000, -0.0000665600000000 ] - [ -0.0028419400000000, -0.0010457400000000, -0.0020818700000000 ] - [ 0.0004688800000000, -0.0000523400000000, -0.0000088100000000 ] - [ 0.0004671300000000, -0.0000422900000000, -0.0001143500000000 ] - [ 0.0004370600000000, 0.0000200900000000, -0.0002778200000000 ] - [ -0.0005335700000000, -0.0001456700000000, 0.0001134100000000 ] - [ -0.0004751900000000, -0.0002698500000000, 0.0000230400000000 ] - [ -0.0005546300000000, -0.0005719500000000, -0.0003304000000000 ] - [ -0.0004326700000000, -0.0001115700000000, 0.0000411500000000 ] - [ -0.0047365700000000, 0.0009594400000000, 0.0043059500000000 ] - [ -0.0001937700000000, 0.0001125400000000, 0.0001833100000000 ] - [ -0.0001886400000000, 0.0001157700000000, 0.0000374300000000 ] - [ -0.0002657000000000, 0.0000472100000000, 0.0001040300000000 ] - [ 0.0002677200000000, -0.0000967700000000, -0.0001646000000000 ] - [ 0.0001769000000000, 0.0000548600000000, -0.0001743000000000 ] - [ -0.0000377600000000, -0.0002155900000000, -0.0000503700000000 ] - [ 0.0002072100000000, 0.0000898500000000, -0.0001566900000000 ] - [ -0.0005971900000000, -0.0003912400000000, 0.0005012000000000 ] - [ -0.0002900400000000, -0.0002234300000000, 0.0001502500000000 ] - [ -0.0002407400000000, -0.0002477300000000, 0.0001022700000000 ] - [ -0.0003429100000000, -0.0002533700000000, 0.0000876700000000 ] - [ 0.0018502800000000, -0.0006863700000000, -0.0004643300000000 ] - [ -0.0004513700000000, 0.0000619800000000, -0.0003073400000000 ] - [ 0.0003075300000000, -0.0001163600000000, -0.0000383400000000 ] - [ 0.0002881300000000, -0.0001639700000000, -0.0001689100000000 ] - [ -0.0000157600000000, 0.0002390300000000, 0.0002384800000000 ] - [ 0.0011084700000000, 0.0001087900000000, 0.0002020000000000 ] - [ 0.0003667700000000, 0.0001861100000000, 0.0001859000000000 ] - [ 0.0004471300000000, 0.0001588100000000, 0.0002912700000000 ] - [ -0.0003657800000000, 0.0001373100000000, -0.0003137300000000 ] - [ -0.0004294200000000, 0.0001285800000000, -0.0003250400000000 ] - [ -0.0004665800000000, -0.0000216400000000, -0.0001771800000000 ] - [ -0.0000858700000000, -0.0000865100000000, -0.0001148900000000 ] - [ 0.0000471400000000, 0.0003183100000000, -0.0000069700000000 ] - [ 0.0005134500000000, 0.0006911500000000, 0.0001293300000000 ] - [ -0.0000138300000000, 0.0001054700000000, 0.0000012400000000 ] - [ 0.0000162700000000, 0.0001053400000000, 0.0000413400000000 ] - [ -0.0002817100000000, -0.0002734300000000, -0.0003988800000000 ] - [ -0.0000304900000000, 0.0000718700000000, -0.0000594700000000 ] - [ -0.0002103000000000, 0.0001106600000000, 0.0001928300000000 ] - [ 0.0001491500000000, 0.0002404700000000, 0.0000426400000000 ] - [ -0.0006089800000000, 0.0004204400000000, -0.0000208600000000 ] - [ -0.0003881800000000, -0.0001046900000000, -0.0000709100000000 ] - [ -0.0003830400000000, -0.0001010200000000, -0.0000432700000000 ] - [ -0.0003140800000000, -0.0001449900000000, -0.0000015800000000 ] - [ 0.0007319400000000, -0.0003754700000000, -0.0002788200000000 ] - [ 0.0003486600000000, -0.0002788300000000, -0.0001036100000000 ] - [ 0.0002096400000000, 0.0002065000000000, 0.0005915600000000 ] - [ 0.0003978200000000, -0.0001042500000000, 0.0000459600000000 ] - [ 0.0001357100000000, 0.0002900900000000, 0.0006418700000000 ] - [ 0.0003640600000000, 0.0001453100000000, 0.0006736400000000 ] - [ 0.0000701100000000, -0.0053357600000000, 0.0025584400000000 ] - [ 0.0001118000000000, 0.0001552300000000, 0.0003543800000000 ] - [ 0.0004474100000000, -0.0055501400000000, 0.0016649900000000 ] - [ -0.0000595800000000, 0.0002276700000000, -0.0004072500000000 ] - [ -0.0001219600000000, 0.0001817100000000, -0.0003792100000000 ] - [ -0.0000468800000000, 0.0002201700000000, -0.0002973800000000 ] - [ -0.0002223400000000, 0.0001126800000000, 0.0000073700000000 ] - [ -0.0001807600000000, 0.0000609700000000, -0.0002180500000000 ] - [ -0.0000421600000000, -0.0002067100000000, -0.0005399500000000 ] - [ -0.0000890300000000, -0.0002644500000000, -0.0004532200000000 ] - [ 0.0003850800000000, 0.0003303400000000, 0.0004266500000000 ] - [ -0.0001610300000000, 0.0001470000000000, 0.0001646100000000 ] - [ 0.0001175200000000, -0.0000225900000000, 0.0003166300000000 ] - [ 0.0000849900000000, 0.0000033800000000, 0.0003126700000000 ]- atom: 41 displacement: [ -0.0045549923526468, 0.0000000000000000, 0.0089023617466001 ] forces: - [ 0.0067577700000000, 0.0030445000000000, 0.0168107600000000 ] - [ 0.0002150400000000, 0.0002964400000000, 0.0004500200000000 ] - [ -0.0002651600000000, -0.0004118400000000, -0.0007721600000000 ] - [ -0.0006278100000000, -0.0002383100000000, -0.0003581200000000 ] - [ -0.0000691400000000, 0.0001412400000000, -0.0006068600000000 ] - [ 0.0001542600000000, 0.0000008300000000, -0.0000067500000000 ] - [ 0.0010371600000000, -0.0001039800000000, -0.0016097400000000 ] - [ -0.0004517000000000, -0.0001051800000000, -0.0003163400000000 ] - [ 0.0000111100000000, 0.0001928500000000, 0.0001382700000000 ] - [ 0.0000990000000000, 0.0000234600000000, 0.0001653600000000 ] - [ 0.0000023000000000, -0.0000512400000000, 0.0000645100000000 ] - [ -0.0002059600000000, 0.0000035100000000, 0.0002003800000000 ] - [ 0.0005616700000000, -0.0002590300000000, -0.0000808100000000 ] - [ 0.0004008500000000, -0.0001036300000000, 0.0002675300000000 ] - [ 0.0003533200000000, -0.0002025800000000, 0.0001511500000000 ] - [ 0.0004887300000000, -0.0002005200000000, 0.0000628000000000 ] - [ 0.0000382400000000, -0.0004366300000000, -0.0001765900000000 ] - [ 0.0004291000000000, -0.0002268700000000, -0.0000019500000000 ] - [ 0.0003445700000000, -0.0001286200000000, 0.0000998500000000 ] - [ 0.0003947600000000, -0.0002463800000000, 0.0001445300000000 ] - [ -0.0236050100000000, 0.0081166700000000, 0.0248546800000000 ] - [ 0.0002920200000000, 0.0000510400000000, 0.0005630900000000 ] - [ -0.0002865600000000, -0.0002475800000000, -0.0004466100000000 ] - [ -0.0004241200000000, -0.0003969300000000, -0.0003721200000000 ] - [ 0.0049521200000000, 0.0001346900000000, 0.0016645700000000 ] - [ -0.0017460200000000, -0.0001652900000000, 0.0016031800000000 ] - [ 0.0003657700000000, -0.0001491400000000, 0.0003512100000000 ] - [ 0.0002384700000000, 0.0000130100000000, 0.0001938000000000 ] - [ -0.0007309700000000, -0.0002447800000000, -0.0002539300000000 ] - [ -0.0001103500000000, -0.0000145900000000, -0.0004157200000000 ] - [ -0.0000298500000000, -0.0001902900000000, -0.0003810200000000 ] - [ -0.0002536100000000, -0.0002123600000000, -0.0003899100000000 ] - [ -0.0002236300000000, 0.0000462800000000, 0.0002508800000000 ] - [ -0.0001059500000000, 0.0001913100000000, -0.0001306700000000 ] - [ -0.0000447400000000, 0.0002752400000000, -0.0000585600000000 ] - [ -0.0001925100000000, 0.0002011900000000, -0.0000645000000000 ] - [ 0.0045492100000000, 0.0055934100000000, 0.0083709300000000 ] - [ -0.0003825300000000, 0.0000192000000000, -0.0002304100000000 ] - [ -0.0000834300000000, 0.0003393000000000, 0.0005131100000000 ] - [ 0.0003874100000000, 0.0003485800000000, 0.0002992700000000 ] - [ 0.0273554000000000, -0.0100367700000000, -0.0600002400000000 ] - [ -0.0001087600000000, -0.0000419100000000, -0.0004531300000000 ] - [ 0.0000207400000000, 0.0003465500000000, 0.0003177600000000 ] - [ 0.0000535700000000, 0.0003371300000000, 0.0001391600000000 ] - [ -0.0000605300000000, 0.0003042100000000, 0.0001153100000000 ] - [ -0.0001685800000000, 0.0001990800000000, 0.0000163900000000 ] - [ -0.0000329300000000, -0.0001833300000000, -0.0001625300000000 ] - [ -0.0001796800000000, 0.0002505900000000, -0.0000337100000000 ] - [ 0.0004592500000000, 0.0004916600000000, -0.0001440200000000 ] - [ -0.0001784200000000, -0.0000437500000000, -0.0000603100000000 ] - [ -0.0000172200000000, 0.0001902100000000, 0.0001515600000000 ] - [ 0.0002139200000000, 0.0002343900000000, 0.0001203400000000 ] - [ 0.0000669100000000, -0.0000603800000000, -0.0002832800000000 ] - [ -0.0000476100000000, -0.0002538200000000, -0.0001597800000000 ] - [ -0.0000113300000000, -0.0001756100000000, 0.0001797100000000 ] - [ 0.0002160600000000, -0.0002140100000000, -0.0000347100000000 ] - [ -0.0012280800000000, 0.0007868900000000, 0.0001113300000000 ] - [ 0.0008373800000000, 0.0003233000000000, -0.0002859400000000 ] - [ 0.0002606900000000, 0.0002659800000000, 0.0002668300000000 ] - [ -0.0001505200000000, 0.0001522500000000, 0.0001746100000000 ] - [ -0.0000536800000000, -0.0001886000000000, 0.0004271800000000 ] - [ -0.0001537400000000, -0.0001980900000000, 0.0001432100000000 ] - [ -0.0013666300000000, 0.0005676800000000, 0.0001531400000000 ] - [ -0.0002158000000000, -0.0001901400000000, -0.0000131700000000 ] - [ 0.0001692000000000, -0.0000845100000000, -0.0003932900000000 ] - [ -0.0001224200000000, -0.0000794800000000, -0.0001715700000000 ] - [ -0.0000837200000000, -0.0001186000000000, 0.0000109000000000 ] - [ 0.0000411600000000, -0.0000924600000000, -0.0000918600000000 ] - [ -0.0003019100000000, -0.0001872400000000, 0.0004091200000000 ] - [ 0.0000560300000000, -0.0001201100000000, 0.0001160800000000 ] - [ -0.0029176900000000, -0.0004778900000000, 0.0015667900000000 ] - [ -0.0000465400000000, -0.0001047400000000, 0.0001159000000000 ] - [ -0.0010532000000000, -0.0003888200000000, 0.0000892900000000 ] - [ 0.0008449800000000, -0.0001747100000000, 0.0001118800000000 ] - [ 0.0013566700000000, -0.0002497700000000, 0.0012416500000000 ] - [ 0.0002161100000000, -0.0000200200000000, -0.0000545200000000 ] - [ 0.0001943300000000, -0.0000763100000000, -0.0001168200000000 ] - [ -0.0001035300000000, -0.0000156000000000, -0.0000590900000000 ] - [ 0.0000296700000000, -0.0000164500000000, 0.0001317100000000 ] - [ 0.0000746000000000, -0.0000087800000000, 0.0001088700000000 ] - [ -0.0008072500000000, 0.0005756200000000, -0.0026430800000000 ] - [ 0.0002839300000000, -0.0000922700000000, -0.0002933500000000 ] - [ 0.0005100100000000, -0.0001779800000000, 0.0003223400000000 ] - [ 0.0004596100000000, -0.0000484200000000, 0.0000608800000000 ] - [ -0.0006423500000000, -0.0000950900000000, 0.0002553400000000 ] - [ -0.0004308300000000, -0.0000621700000000, 0.0000516400000000 ] - [ -0.0002510300000000, 0.0004712000000000, 0.0001591700000000 ] - [ -0.0005811000000000, -0.0000060600000000, 0.0000959700000000 ] - [ -0.0026999600000000, -0.0055536200000000, 0.0040544300000000 ] - [ -0.0003737200000000, 0.0000742100000000, -0.0000014600000000 ] - [ -0.0003211000000000, -0.0000090000000000, 0.0004858200000000 ] - [ -0.0002077200000000, 0.0000629400000000, 0.0002118000000000 ] - [ 0.0003095300000000, 0.0004105400000000, 0.0000195300000000 ] - [ 0.0001504100000000, 0.0001049200000000, -0.0001891900000000 ] - [ -0.0001016500000000, -0.0001407700000000, 0.0001031400000000 ] - [ 0.0002214600000000, 0.0000895400000000, -0.0001553900000000 ] - [ 0.0002010100000000, -0.0003647300000000, -0.0000373100000000 ] - [ -0.0004944200000000, -0.0002179800000000, 0.0000843300000000 ] - [ -0.0003587700000000, -0.0000978900000000, 0.0002921000000000 ] - [ -0.0001990600000000, -0.0001883900000000, 0.0001764200000000 ] - [ -0.0071840300000000, 0.0017861700000000, 0.0025466000000000 ] - [ -0.0002143200000000, 0.0000049900000000, -0.0000713800000000 ] - [ 0.0001536700000000, -0.0002337500000000, 0.0001747000000000 ] - [ 0.0000252800000000, -0.0002235200000000, 0.0000128200000000 ] - [ 0.0007855600000000, 0.0000852100000000, -0.0005864400000000 ] - [ -0.0035024800000000, 0.0002947600000000, 0.0013097100000000 ] - [ 0.0000786300000000, 0.0000751900000000, 0.0005605700000000 ] - [ 0.0008269900000000, 0.0002185300000000, 0.0004502300000000 ] - [ -0.0002785700000000, 0.0001678100000000, -0.0002043600000000 ] - [ -0.0005204700000000, 0.0002118600000000, -0.0001781800000000 ] - [ -0.0005248500000000, 0.0000429300000000, -0.0003342800000000 ] - [ -0.0003013200000000, 0.0000935000000000, -0.0003889600000000 ] - [ -0.0000936800000000, -0.0006488200000000, 0.0007052400000000 ] - [ 0.0002646200000000, 0.0004133600000000, 0.0003339800000000 ] - [ 0.0000595800000000, 0.0001998000000000, -0.0002892200000000 ] - [ 0.0000526900000000, 0.0001739100000000, -0.0001213700000000 ] - [ -0.0006976400000000, 0.0003374400000000, -0.0005184700000000 ] - [ 0.0003520600000000, 0.0002458400000000, 0.0000845500000000 ] - [ 0.0001780000000000, -0.0000803700000000, -0.0006098000000000 ] - [ -0.0001689300000000, 0.0001276300000000, -0.0000296700000000 ] - [ -0.0006736900000000, -0.0003888000000000, 0.0005767600000000 ] - [ -0.0000352400000000, -0.0001066900000000, 0.0002689600000000 ] - [ -0.0003680500000000, -0.0001070600000000, -0.0002622900000000 ] - [ -0.0004595200000000, -0.0001252100000000, -0.0001008300000000 ] - [ 0.0007740500000000, 0.0003604700000000, -0.0007557800000000 ] - [ 0.0002663700000000, -0.0001722100000000, 0.0001447300000000 ] - [ 0.0000560100000000, -0.0005665600000000, -0.0017046800000000 ] - [ 0.0005085600000000, -0.0001356500000000, 0.0000006900000000 ] - [ -0.0000867700000000, -0.0001351500000000, -0.0010038500000000 ] - [ -0.0000432800000000, 0.0001654900000000, 0.0003393800000000 ] - [ -0.0005691200000000, -0.0005972100000000, 0.0013448700000000 ] - [ 0.0002354600000000, 0.0002116800000000, 0.0004645400000000 ] - [ -0.0003961400000000, -0.0026477400000000, 0.0017183000000000 ] - [ 0.0001177200000000, 0.0001856100000000, -0.0002015200000000 ] - [ -0.0000626100000000, 0.0001559200000000, -0.0006684800000000 ] - [ -0.0001426800000000, 0.0001994100000000, -0.0004662900000000 ] - [ -0.0004423200000000, -0.0002129600000000, -0.0009247100000000 ] - [ 0.0002540200000000, -0.0000593900000000, -0.0004456100000000 ] - [ 0.0001597200000000, 0.0005953900000000, -0.0003630900000000 ] - [ -0.0002999500000000, 0.0000348100000000, -0.0001270800000000 ] - [ 0.0004564300000000, 0.0003505100000000, 0.0009955800000000 ] - [ 0.0003778800000000, -0.0005055300000000, 0.0008093100000000 ] - [ 0.0002213700000000, 0.0000392800000000, 0.0000781400000000 ] - [ 0.0000959300000000, 0.0000894600000000, 0.0001357300000000 ]- atom: 41 displacement: [ 0.0045549923526468, 0.0000000000000000, -0.0089023617466001 ] forces: - [ -0.0074015200000000, -0.0031447800000000, -0.0171028700000000 ] - [ -0.0009977100000000, -0.0004932800000000, -0.0007528200000000 ] - [ -0.0005229500000000, 0.0002257200000000, 0.0004794300000000 ] - [ -0.0001592900000000, 0.0000525800000000, 0.0000645700000000 ] - [ 0.0002276400000000, -0.0001302000000000, 0.0002343800000000 ] - [ 0.0000067100000000, 0.0000115900000000, -0.0003617500000000 ] - [ -0.0009011000000000, 0.0001030000000000, 0.0012543900000000 ] - [ 0.0006201600000000, 0.0001197000000000, -0.0000520700000000 ] - [ -0.0001710600000000, -0.0001788100000000, 0.0002259500000000 ] - [ -0.0002610300000000, -0.0000125400000000, 0.0002062000000000 ] - [ -0.0001628800000000, 0.0000623900000000, 0.0003051300000000 ] - [ 0.0000412100000000, 0.0000085200000000, 0.0001749200000000 ] - [ 0.0002232400000000, 0.0000656300000000, 0.0003767800000000 ] - [ 0.0003907000000000, -0.0000854900000000, 0.0000306800000000 ] - [ 0.0004269500000000, 0.0000160800000000, 0.0001474600000000 ] - [ 0.0002988300000000, 0.0000124000000000, 0.0002344200000000 ] - [ 0.0006062500000000, 0.0000027300000000, 0.0003181000000000 ] - [ 0.0002266900000000, -0.0002085000000000, 0.0001416500000000 ] - [ 0.0003069800000000, -0.0003032100000000, 0.0000393900000000 ] - [ 0.0002581400000000, -0.0001875800000000, -0.0000042900000000 ] - [ 0.0216686700000000, -0.0082603600000000, -0.0238049700000000 ] - [ -0.0009393800000000, -0.0004944400000000, -0.0007162600000000 ] - [ -0.0003671700000000, -0.0001913800000000, 0.0003079600000000 ] - [ -0.0002311100000000, -0.0000399900000000, 0.0002319200000000 ] - [ -0.0045207700000000, -0.0004242600000000, -0.0009921600000000 ] - [ 0.0021456600000000, -0.0001675000000000, -0.0009501500000000 ] - [ 0.0000433100000000, -0.0001536800000000, 0.0003084900000000 ] - [ 0.0001716100000000, -0.0003167800000000, 0.0004648200000000 ] - [ 0.0003144800000000, -0.0000631600000000, -0.0004032500000000 ] - [ -0.0003003600000000, -0.0002890100000000, -0.0002436200000000 ] - [ -0.0003828700000000, -0.0001126600000000, -0.0002774000000000 ] - [ -0.0001587400000000, -0.0000906200000000, -0.0002672600000000 ] - [ -0.0000087500000000, 0.0003299000000000, -0.0004046900000000 ] - [ -0.0001282000000000, 0.0001857900000000, -0.0000275700000000 ] - [ -0.0001848800000000, 0.0001009700000000, -0.0000992400000000 ] - [ -0.0000383500000000, 0.0001752000000000, -0.0000929400000000 ] - [ -0.0043129600000000, -0.0051289200000000, -0.0080587200000000 ] - [ 0.0006106900000000, 0.0003585600000000, 0.0003900600000000 ] - [ 0.0003174700000000, 0.0000362800000000, -0.0003569000000000 ] - [ -0.0001552200000000, 0.0000276000000000, -0.0001423800000000 ] - [ -0.0259927800000000, 0.0100244900000000, 0.0587724000000000 ] - [ 0.0002975800000000, 0.0004932800000000, 0.0004847600000000 ] - [ 0.0001708300000000, 0.0001002900000000, -0.0002961800000000 ] - [ 0.0001356400000000, 0.0001090100000000, -0.0001188400000000 ] - [ -0.0001273000000000, 0.0001441600000000, -0.0001411800000000 ] - [ -0.0000267700000000, 0.0002498700000000, -0.0000425100000000 ] - [ -0.0001579600000000, 0.0006340700000000, 0.0001416500000000 ] - [ -0.0000113700000000, 0.0001975700000000, 0.0000094400000000 ] - [ -0.0002862800000000, -0.0001445400000000, 0.0001136200000000 ] - [ 0.0003483000000000, 0.0003814600000000, 0.0000339900000000 ] - [ 0.0001878700000000, 0.0001473900000000, -0.0001791800000000 ] - [ -0.0000459300000000, 0.0001029600000000, -0.0001487000000000 ] - [ 0.0001752600000000, -0.0003365200000000, 0.0001162800000000 ] - [ 0.0002908100000000, -0.0001420800000000, -0.0000108500000000 ] - [ 0.0002550800000000, -0.0002198100000000, -0.0003512500000000 ] - [ 0.0000296500000000, -0.0001832700000000, -0.0001397200000000 ] - [ 0.0010483400000000, -0.0004382000000000, -0.0000815400000000 ] - [ -0.0010064700000000, 0.0000071600000000, 0.0002931400000000 ] - [ -0.0004324000000000, 0.0000695400000000, -0.0002423200000000 ] - [ -0.0000193900000000, 0.0001866800000000, -0.0001487000000000 ] - [ -0.0001891400000000, -0.0002075000000000, -0.0002565700000000 ] - [ -0.0000919200000000, -0.0001976600000000, 0.0000266500000000 ] - [ 0.0011386600000000, -0.0009852800000000, 0.0000139100000000 ] - [ -0.0000309100000000, -0.0002089900000000, 0.0001842300000000 ] - [ -0.0001545300000000, -0.0001308200000000, 0.0001007500000000 ] - [ 0.0001309600000000, -0.0001401900000000, -0.0001220000000000 ] - [ 0.0000924500000000, -0.0001003900000000, -0.0003061300000000 ] - [ -0.0000307800000000, -0.0001262500000000, -0.0002045800000000 ] - [ 0.0002895500000000, -0.0000295700000000, -0.0001243700000000 ] - [ -0.0000635200000000, -0.0000979600000000, 0.0001784400000000 ] - [ 0.0029613700000000, 0.0002767000000000, -0.0013161300000000 ] - [ 0.0000348400000000, -0.0001115900000000, 0.0001761600000000 ] - [ 0.0009843800000000, 0.0003373400000000, -0.0001094300000000 ] - [ -0.0009150200000000, 0.0001275600000000, -0.0001502100000000 ] - [ -0.0014261000000000, 0.0002055400000000, -0.0012634900000000 ] - [ -0.0002856700000000, -0.0000272500000000, 0.0000344400000000 ] - [ -0.0001301900000000, 0.0000330700000000, 0.0001444400000000 ] - [ 0.0001713000000000, -0.0000301800000000, 0.0000846700000000 ] - [ 0.0000384700000000, -0.0000290800000000, -0.0001069200000000 ] - [ -0.0000075900000000, -0.0000373700000000, -0.0000851600000000 ] - [ 0.0017549400000000, -0.0007083500000000, 0.0025175700000000 ] - [ 0.0006675000000000, -0.0000329600000000, 0.0001562000000000 ] - [ 0.0004430200000000, 0.0000530400000000, -0.0004620400000000 ] - [ 0.0004905900000000, -0.0000771800000000, -0.0001988400000000 ] - [ -0.0003080200000000, -0.0000299900000000, -0.0001192500000000 ] - [ -0.0005203500000000, -0.0000678000000000, 0.0000817000000000 ] - [ -0.0006968900000000, -0.0006095300000000, -0.0000264500000000 ] - [ -0.0003698100000000, -0.0001202100000000, 0.0000403000000000 ] - [ 0.0021933900000000, 0.0056771300000000, -0.0037026000000000 ] - [ -0.0000722300000000, 0.0000864800000000, 0.0002887200000000 ] - [ -0.0001233500000000, 0.0001708800000000, -0.0002031400000000 ] - [ -0.0002372100000000, 0.0000984700000000, 0.0000722000000000 ] - [ 0.0001364000000000, -0.0002509600000000, -0.0003042800000000 ] - [ 0.0002940700000000, 0.0000564600000000, -0.0000943200000000 ] - [ 0.0005478800000000, 0.0003016600000000, -0.0003866800000000 ] - [ 0.0002241500000000, 0.0000720200000000, -0.0001284200000000 ] - [ -0.0007242000000000, -0.0000258300000000, 0.0003017100000000 ] - [ -0.0000328300000000, -0.0001753700000000, 0.0001833400000000 ] - [ -0.0001662800000000, -0.0002961700000000, -0.0000258700000000 ] - [ -0.0003273000000000, -0.0002051200000000, 0.0000904800000000 ] - [ 0.0076649600000000, -0.0021781700000000, -0.0028191000000000 ] - [ 0.0007056200000000, -0.0003936600000000, -0.0002083200000000 ] - [ 0.0003742100000000, -0.0001597400000000, -0.0004420800000000 ] - [ 0.0005038400000000, -0.0001697300000000, -0.0002819400000000 ] - [ 0.0000159700000000, 0.0002468000000000, 0.0011637100000000 ] - [ 0.0043848600000000, 0.0000424400000000, -0.0007388800000000 ] - [ 0.0007267400000000, 0.0002569200000000, 0.0000163100000000 ] - [ -0.0000086300000000, 0.0001155200000000, 0.0001276000000000 ] - [ -0.0005297500000000, 0.0001644400000000, -0.0003752800000000 ] - [ -0.0002920400000000, 0.0001208000000000, -0.0004005000000000 ] - [ -0.0002873700000000, 0.0002874300000000, -0.0002426500000000 ] - [ -0.0005073400000000, 0.0002371400000000, -0.0001884200000000 ] - [ 0.0001342900000000, 0.0008787000000000, -0.0006810800000000 ] - [ -0.0002127700000000, -0.0001750600000000, -0.0003146400000000 ] - [ -0.0000145200000000, 0.0000316400000000, 0.0003143600000000 ] - [ -0.0000100300000000, 0.0000562800000000, 0.0001464400000000 ] - [ 0.0006476700000000, -0.0001100800000000, 0.0004985500000000 ] - [ -0.0003939000000000, -0.0000133400000000, -0.0001086400000000 ] - [ -0.0002223500000000, 0.0003124300000000, 0.0005906800000000 ] - [ 0.0001238500000000, 0.0001022900000000, 0.0000082200000000 ] - [ -0.0000891800000000, 0.0001658900000000, -0.0006068500000000 ] - [ -0.0007186700000000, -0.0001203400000000, -0.0002991600000000 ] - [ -0.0003882500000000, -0.0001202100000000, 0.0002326400000000 ] - [ -0.0002963700000000, -0.0001010800000000, 0.0000716600000000 ] - [ -0.0000192200000000, -0.0005929800000000, 0.0007881200000000 ] - [ 0.0004951400000000, -0.0000585200000000, -0.0001131200000000 ] - [ 0.0007057900000000, 0.0003322000000000, 0.0017330600000000 ] - [ 0.0002477900000000, -0.0000901800000000, 0.0000316500000000 ] - [ 0.0002639000000000, 0.0005316900000000, 0.0017658800000000 ] - [ 0.0002332200000000, 0.0002291900000000, 0.0004292600000000 ] - [ 0.0007620400000000, 0.0010667800000000, -0.0006349800000000 ] - [ -0.0000520800000000, 0.0001815100000000, 0.0002949600000000 ] - [ 0.0002192600000000, 0.0030518600000000, -0.0025112000000000 ] - [ -0.0003005200000000, 0.0002102600000000, -0.0005608800000000 ] - [ -0.0001212200000000, 0.0002397000000000, -0.0000905600000000 ] - [ -0.0000396200000000, 0.0001959400000000, -0.0002909000000000 ] - [ 0.0001950600000000, 0.0002516900000000, 0.0003720000000000 ] - [ -0.0004897800000000, 0.0000996700000000, -0.0001061000000000 ] - [ -0.0003966100000000, -0.0005628100000000, -0.0001909400000000 ] - [ 0.0000595600000000, 0.0000038300000000, -0.0004225200000000 ] - [ -0.0002183900000000, -0.0003081200000000, -0.0004467400000000 ] - [ -0.0001379600000000, 0.0005528200000000, -0.0002671700000000 ] - [ 0.0000196800000000, 0.0000003800000000, 0.0004726300000000 ] - [ 0.0001412200000000, -0.0000500500000000, 0.0004162000000000 ]- atom: 49 displacement: [ 0.0099999730884809, 0.0000000000000000, -0.0000231997770880 ] forces: - [ 0.0018262800000000, 0.0004507800000000, -0.0004022000000000 ] - [ -0.0007533800000000, -0.0001195000000000, -0.0001717400000000 ] - [ -0.0004600000000000, -0.0000318600000000, 0.0001115600000000 ] - [ -0.0003502400000000, -0.0001575000000000, -0.0004251600000000 ] - [ 0.0001956200000000, 0.0002172600000000, 0.0001674500000000 ] - [ -0.0002062800000000, -0.0001034900000000, -0.0006053300000000 ] - [ 0.0005220600000000, -0.0000861600000000, 0.0003780500000000 ] - [ -0.0001732700000000, -0.0000208800000000, -0.0001726500000000 ] - [ -0.0003053400000000, -0.0002257100000000, -0.0000939500000000 ] - [ -0.0000927200000000, 0.0001771900000000, 0.0004178300000000 ] - [ -0.0004991800000000, -0.0000374200000000, 0.0002760100000000 ] - [ 0.0003854800000000, 0.0000295900000000, 0.0000779300000000 ] - [ -0.0002629700000000, 0.0001331800000000, -0.0002843100000000 ] - [ 0.0003274400000000, -0.0002279100000000, -0.0008206700000000 ] - [ 0.0004719700000000, -0.0002816200000000, -0.0001707900000000 ] - [ 0.0003207500000000, 0.0001611500000000, 0.0003834400000000 ] - [ -0.0016697500000000, -0.0007835800000000, 0.0016352700000000 ] - [ -0.0006289800000000, 0.0001946700000000, -0.0008269800000000 ] - [ 0.0006457200000000, -0.0001730500000000, 0.0000945700000000 ] - [ 0.0001016700000000, -0.0001736000000000, -0.0000294700000000 ] - [ -0.0002009900000000, 0.0006626700000000, -0.0004957400000000 ] - [ -0.0005081600000000, -0.0011754800000000, 0.0003369800000000 ] - [ -0.0005344200000000, -0.0002759000000000, -0.0001599000000000 ] - [ 0.0000088900000000, -0.0001517700000000, 0.0000626700000000 ] - [ -0.0000465300000000, -0.0001568300000000, 0.0003250900000000 ] - [ 0.0004887000000000, -0.0005415600000000, 0.0000929900000000 ] - [ 0.0002143200000000, -0.0001372900000000, 0.0002452400000000 ] - [ 0.0002306600000000, -0.0001758100000000, 0.0004136300000000 ] - [ 0.0093197000000000, 0.0017517000000000, -0.0009991700000000 ] - [ -0.0004656200000000, -0.0002468100000000, -0.0002965600000000 ] - [ -0.0001331900000000, -0.0001389400000000, -0.0002374100000000 ] - [ -0.0002725100000000, -0.0001744300000000, -0.0005074600000000 ] - [ -0.0001483300000000, 0.0001753200000000, -0.0000116000000000 ] - [ 0.0007431500000000, -0.0009284500000000, 0.0008460900000000 ] - [ -0.0002346300000000, 0.0001687000000000, -0.0000503900000000 ] - [ 0.0000356500000000, 0.0001494800000000, -0.0001331200000000 ] - [ -0.0005172600000000, -0.0001810400000000, 0.0005436900000000 ] - [ 0.0003728300000000, 0.0003485800000000, 0.0001147700000000 ] - [ 0.0002633000000000, 0.0001814200000000, 0.0000611600000000 ] - [ -0.0000782700000000, 0.0001564900000000, 0.0000844600000000 ] - [ -0.0005398100000000, -0.0005681900000000, 0.0001059600000000 ] - [ 0.0003935900000000, 0.0003492400000000, -0.0001309500000000 ] - [ 0.0000927300000000, 0.0001933500000000, -0.0001047700000000 ] - [ 0.0001070600000000, 0.0002720800000000, 0.0001640500000000 ] - [ 0.0012419600000000, 0.0004748400000000, -0.0006009000000000 ] - [ -0.0001546800000000, -0.0000030100000000, 0.0009970300000000 ] - [ -0.0002203800000000, 0.0005172000000000, 0.0003110600000000 ] - [ -0.0000623500000000, 0.0002159900000000, -0.0000692700000000 ] - [ -0.0325191000000000, -0.0085171800000000, 0.0002064900000000 ] - [ 0.0003384200000000, 0.0001484000000000, 0.0000407800000000 ] - [ 0.0000365700000000, 0.0001879500000000, -0.0001335500000000 ] - [ 0.0001069700000000, 0.0001694700000000, 0.0001269900000000 ] - [ 0.0001527800000000, -0.0001802400000000, -0.0000049500000000 ] - [ 0.0001265300000000, -0.0002198400000000, -0.0001237700000000 ] - [ 0.0002608100000000, -0.0001387000000000, -0.0001225400000000 ] - [ -0.0000254200000000, -0.0002079400000000, -0.0000217800000000 ] - [ 0.0000948000000000, 0.0001860100000000, 0.0000648300000000 ] - [ -0.0002224800000000, 0.0001864500000000, -0.0000047300000000 ] - [ -0.0000745000000000, 0.0002039400000000, 0.0000841200000000 ] - [ -0.0001024500000000, 0.0001636700000000, -0.0000700500000000 ] - [ 0.0002699700000000, -0.0001774900000000, -0.0006238500000000 ] - [ 0.0004654600000000, -0.0003004200000000, 0.0007471500000000 ] - [ -0.0007688000000000, -0.0001788900000000, -0.0000881300000000 ] - [ 0.0000228100000000, -0.0002113300000000, 0.0000823800000000 ] - [ 0.0003538200000000, 0.0004230100000000, -0.0000826500000000 ] - [ 0.0003297900000000, -0.0005261600000000, -0.0001864400000000 ] - [ 0.0002033300000000, -0.0001022500000000, -0.0002121400000000 ] - [ -0.0001487700000000, -0.0001403600000000, -0.0001036500000000 ] - [ 0.0003153500000000, -0.0005370200000000, -0.0001918000000000 ] - [ 0.0006613000000000, 0.0005493600000000, 0.0005444400000000 ] - [ -0.0000949100000000, -0.0000809600000000, 0.0000069500000000 ] - [ 0.0001098100000000, -0.0001270600000000, 0.0001474200000000 ] - [ 0.0001354800000000, -0.0000103300000000, 0.0000277800000000 ] - [ -0.0007741800000000, 0.0001136600000000, 0.0001643900000000 ] - [ -0.0000074300000000, -0.0000272200000000, 0.0000431000000000 ] - [ -0.0000939700000000, -0.0000201600000000, -0.0000770300000000 ] - [ -0.0018825700000000, 0.0005011300000000, 0.0001899100000000 ] - [ 0.0002082500000000, -0.0000239100000000, 0.0000477600000000 ] - [ -0.0000201600000000, -0.0000098400000000, -0.0000928700000000 ] - [ 0.0001543300000000, -0.0000465800000000, 0.0001721100000000 ] - [ 0.0000826200000000, 0.0005832700000000, -0.0002779300000000 ] - [ 0.0005967800000000, -0.0000217400000000, -0.0000803900000000 ] - [ 0.0004856700000000, -0.0000456400000000, -0.0002142600000000 ] - [ 0.0004799500000000, -0.0000613100000000, 0.0000624900000000 ] - [ -0.0003004800000000, -0.0001081200000000, 0.0000805000000000 ] - [ -0.0010214600000000, -0.0001056100000000, 0.0002432500000000 ] - [ -0.0000962600000000, -0.0000791400000000, 0.0008323600000000 ] - [ -0.0000471200000000, -0.0002010400000000, -0.0004110500000000 ] - [ 0.0010581300000000, -0.0004341600000000, 0.0004054500000000 ] - [ 0.0010183200000000, 0.0007467300000000, -0.0002511800000000 ] - [ -0.0001707700000000, 0.0000756300000000, 0.0001257100000000 ] - [ -0.0002524000000000, 0.0000854400000000, 0.0001276800000000 ] - [ 0.0004794500000000, 0.0005092100000000, -0.0003203600000000 ] - [ 0.0003600000000000, -0.0001139700000000, -0.0000923500000000 ] - [ 0.0001330100000000, 0.0001199100000000, -0.0001523700000000 ] - [ 0.0002699300000000, 0.0000620000000000, -0.0001276900000000 ] - [ 0.0026719100000000, 0.0055572200000000, -0.0027754800000000 ] - [ 0.0000361700000000, -0.0001776600000000, 0.0001042600000000 ] - [ -0.0003871200000000, -0.0002423000000000, 0.0000622200000000 ] - [ -0.0001909900000000, -0.0001809400000000, 0.0001888100000000 ] - [ 0.0005481700000000, -0.0001973700000000, -0.0001303900000000 ] - [ -0.0000013600000000, 0.0002310900000000, -0.0002251100000000 ] - [ 0.0002527700000000, -0.0001995500000000, -0.0001325900000000 ] - [ 0.0002366600000000, -0.0001691700000000, -0.0001669500000000 ] - [ 0.0006571800000000, 0.0001249300000000, 0.0003668500000000 ] - [ 0.0001689400000000, 0.0005287700000000, 0.0000871800000000 ] - [ 0.0006761100000000, 0.0001761100000000, 0.0003828500000000 ] - [ 0.0001366200000000, 0.0000487300000000, -0.0000854500000000 ] - [ -0.0006965100000000, 0.0001347700000000, -0.0002661300000000 ] - [ 0.0002117500000000, 0.0001625100000000, -0.0001079000000000 ] - [ -0.0005877200000000, -0.0001201900000000, -0.0002868700000000 ] - [ -0.0001818800000000, 0.0001957300000000, -0.0002114500000000 ] - [ -0.0002426500000000, 0.0000542300000000, -0.0000903400000000 ] - [ 0.0001543900000000, 0.0001331700000000, 0.0001494600000000 ] - [ -0.0000613400000000, 0.0000969400000000, 0.0000173000000000 ] - [ 0.0000976300000000, 0.0001067700000000, 0.0000634800000000 ] - [ 0.0058507700000000, -0.0000856800000000, -0.0040872000000000 ] - [ -0.0004864200000000, 0.0001376000000000, -0.0001806500000000 ] - [ 0.0000126400000000, 0.0001501900000000, 0.0001181800000000 ] - [ -0.0001344300000000, 0.0001677600000000, -0.0000733900000000 ] - [ 0.0003006100000000, -0.0008953500000000, -0.0006011100000000 ] - [ -0.0006006700000000, -0.0001233600000000, -0.0000161700000000 ] - [ -0.0003366400000000, -0.0001740200000000, 0.0001686000000000 ] - [ -0.0003830100000000, -0.0000982400000000, -0.0001301500000000 ] - [ -0.0000183700000000, -0.0000671700000000, 0.0001565600000000 ] - [ 0.0056338700000000, 0.0002067000000000, 0.0047151900000000 ] - [ 0.0005447800000000, -0.0000327900000000, -0.0000231900000000 ] - [ 0.0003277800000000, -0.0001589100000000, 0.0001057300000000 ] - [ -0.0001300400000000, 0.0000025500000000, 0.0004073400000000 ] - [ 0.0002402300000000, 0.0002001200000000, 0.0002976400000000 ] - [ 0.0003036800000000, 0.0001701400000000, 0.0004026600000000 ] - [ 0.0000312200000000, 0.0001767500000000, 0.0004573000000000 ] - [ 0.0048739500000000, 0.0026901700000000, 0.0022164300000000 ] - [ -0.0004764700000000, 0.0003485900000000, -0.0002602300000000 ] - [ -0.0001689000000000, 0.0003101700000000, -0.0001790600000000 ] - [ -0.0000319900000000, 0.0001639900000000, -0.0006171100000000 ] - [ 0.0002335900000000, 0.0000380200000000, -0.0001735000000000 ] - [ -0.0003721200000000, -0.0001153500000000, -0.0003983300000000 ] - [ -0.0001141500000000, -0.0000143000000000, -0.0001153900000000 ] - [ -0.0002205300000000, -0.0000063000000000, -0.0003260600000000 ] - [ -0.0002587100000000, -0.0000520900000000, 0.0001100200000000 ] - [ 0.0021194200000000, -0.0010370800000000, -0.0004217000000000 ] - [ -0.0000690900000000, 0.0001546500000000, 0.0001632700000000 ] - [ 0.0003527900000000, -0.0000843200000000, 0.0003875700000000 ]- atom: 49 displacement: [ -0.0099999730884809, 0.0000000000000000, 0.0000231997770880 ] forces: - [ -0.0026205800000000, -0.0006312100000000, 0.0000957100000000 ] - [ -0.0000364000000000, -0.0000684100000000, -0.0001271100000000 ] - [ -0.0003267700000000, -0.0001594100000000, -0.0004103800000000 ] - [ -0.0004351200000000, -0.0000337500000000, 0.0001280700000000 ] - [ -0.0000353100000000, -0.0002044100000000, -0.0005388300000000 ] - [ 0.0003656900000000, 0.0001169300000000, 0.0002337400000000 ] - [ -0.0003609500000000, 0.0001033800000000, -0.0007407900000000 ] - [ 0.0003356000000000, 0.0000337200000000, -0.0001979000000000 ] - [ 0.0001462900000000, 0.0002377100000000, 0.0004631100000000 ] - [ -0.0000680800000000, -0.0001664200000000, -0.0000441700000000 ] - [ 0.0003427500000000, 0.0000488900000000, 0.0000921300000000 ] - [ -0.0005538900000000, -0.0000200700000000, 0.0002952700000000 ] - [ 0.0010520200000000, -0.0003248400000000, 0.0005850500000000 ] - [ 0.0004821100000000, 0.0000369700000000, 0.0011487900000000 ] - [ 0.0003153700000000, 0.0000928500000000, 0.0004714400000000 ] - [ 0.0004660600000000, -0.0003486800000000, -0.0000850400000000 ] - [ 0.0023372100000000, 0.0003564500000000, -0.0015154700000000 ] - [ 0.0012906600000000, -0.0006228100000000, 0.0009495500000000 ] - [ 0.0000036300000000, -0.0002622000000000, 0.0000461000000000 ] - [ 0.0005503100000000, -0.0002594400000000, 0.0001709300000000 ] - [ -0.0004467500000000, -0.0011026900000000, 0.0003539500000000 ] - [ -0.0001429100000000, 0.0007337300000000, -0.0004772900000000 ] - [ -0.0001207800000000, -0.0001598900000000, 0.0000173900000000 ] - [ -0.0006626200000000, -0.0002859400000000, -0.0002051900000000 ] - [ 0.0004602200000000, -0.0001469100000000, 0.0003372400000000 ] - [ -0.0000765800000000, 0.0002307500000000, 0.0005625200000000 ] - [ 0.0001944100000000, -0.0001668100000000, 0.0004138400000000 ] - [ 0.0001806700000000, -0.0001269800000000, 0.0002457900000000 ] - [ -0.0097156700000000, -0.0019451000000000, 0.0002809100000000 ] - [ 0.0000573100000000, -0.0000576700000000, -0.0003640600000000 ] - [ -0.0002771400000000, -0.0001645900000000, -0.0004224800000000 ] - [ -0.0001417800000000, -0.0001282800000000, -0.0001525100000000 ] - [ -0.0000798600000000, 0.0002013100000000, -0.0001454600000000 ] - [ -0.0009533700000000, 0.0013015600000000, -0.0009967800000000 ] - [ 0.0000042000000000, 0.0002087700000000, -0.0001082400000000 ] - [ -0.0002653800000000, 0.0002274600000000, -0.0000258800000000 ] - [ 0.0007378100000000, 0.0005675000000000, -0.0003797700000000 ] - [ -0.0001419700000000, 0.0000297100000000, 0.0000433200000000 ] - [ -0.0000325300000000, 0.0001963200000000, 0.0000974500000000 ] - [ 0.0003096300000000, 0.0002215700000000, 0.0000743000000000 ] - [ 0.0007172300000000, 0.0010156500000000, -0.0000897800000000 ] - [ -0.0002037100000000, 0.0000996800000000, 0.0001540800000000 ] - [ 0.0000976600000000, 0.0002548400000000, 0.0001285800000000 ] - [ 0.0000821800000000, 0.0001754600000000, -0.0001404500000000 ] - [ -0.0014423200000000, -0.0000279000000000, 0.0005835000000000 ] - [ -0.0000677000000000, 0.0004586300000000, -0.0010303900000000 ] - [ 0.0000309100000000, -0.0000717400000000, -0.0003368900000000 ] - [ -0.0001273800000000, 0.0002320300000000, 0.0000459900000000 ] - [ 0.0327909000000000, 0.0088202000000000, -0.0003608000000000 ] - [ -0.0001687200000000, 0.0001890700000000, -0.0000675000000000 ] - [ 0.0001338500000000, 0.0001492600000000, 0.0001070000000000 ] - [ 0.0000625100000000, 0.0001677000000000, -0.0001533400000000 ] - [ 0.0000927000000000, -0.0002142500000000, -0.0001661900000000 ] - [ 0.0001174100000000, -0.0001746400000000, -0.0000473800000000 ] - [ -0.0000159400000000, -0.0002566400000000, -0.0000482800000000 ] - [ 0.0002711300000000, -0.0001854300000000, -0.0001516600000000 ] - [ -0.0002657300000000, 0.0001520300000000, -0.0000382200000000 ] - [ 0.0000516900000000, 0.0001523800000000, 0.0000312200000000 ] - [ -0.0000963400000000, 0.0001343900000000, -0.0000577100000000 ] - [ -0.0000680400000000, 0.0001741900000000, 0.0000968600000000 ] - [ -0.0005156100000000, -0.0002179100000000, 0.0007965100000000 ] - [ -0.0007067500000000, -0.0000968800000000, -0.0005725500000000 ] - [ 0.0005228900000000, -0.0002182400000000, 0.0002635500000000 ] - [ -0.0002675300000000, -0.0001835700000000, 0.0000885400000000 ] - [ -0.0003464200000000, -0.0006453200000000, -0.0002119900000000 ] - [ -0.0003190600000000, 0.0003040100000000, -0.0001084600000000 ] - [ -0.0001951500000000, -0.0001167800000000, -0.0000817600000000 ] - [ 0.0001590500000000, -0.0000785700000000, -0.0001941900000000 ] - [ -0.0003259000000000, 0.0003194100000000, 0.0004876600000000 ] - [ -0.0006665700000000, -0.0007638400000000, -0.0002480900000000 ] - [ 0.0000863500000000, -0.0001388700000000, 0.0002886400000000 ] - [ -0.0001197800000000, -0.0000916900000000, 0.0001467800000000 ] - [ -0.0002014700000000, -0.0000349700000000, -0.0000536800000000 ] - [ 0.0007062300000000, -0.0001615200000000, -0.0001953700000000 ] - [ -0.0000581500000000, -0.0000173900000000, -0.0000710300000000 ] - [ 0.0000278400000000, -0.0000256100000000, 0.0000514900000000 ] - [ 0.0019464900000000, -0.0005027700000000, -0.0001476700000000 ] - [ -0.0001409900000000, -0.0000220100000000, -0.0000220300000000 ] - [ 0.0000878000000000, -0.0000354700000000, 0.0001194200000000 ] - [ -0.0000859100000000, -0.0000021300000000, -0.0001502000000000 ] - [ 0.0008695800000000, -0.0007025600000000, 0.0001413800000000 ] - [ 0.0003537800000000, -0.0001028200000000, -0.0000571400000000 ] - [ 0.0004653700000000, -0.0000787100000000, 0.0000775200000000 ] - [ 0.0004703700000000, -0.0000608600000000, -0.0002003600000000 ] - [ -0.0006499700000000, -0.0000162100000000, 0.0000568600000000 ] - [ 0.0000704400000000, -0.0000243800000000, -0.0001109600000000 ] - [ -0.0008578100000000, -0.0000459900000000, -0.0007011500000000 ] - [ -0.0009000700000000, 0.0000752200000000, 0.0005449100000000 ] - [ -0.0015143300000000, 0.0005913500000000, -0.0001190400000000 ] - [ -0.0014555500000000, -0.0005826000000000, 0.0005342100000000 ] - [ -0.0002752900000000, 0.0000837500000000, 0.0001603400000000 ] - [ -0.0001932400000000, 0.0000744800000000, 0.0001572300000000 ] - [ -0.0000330200000000, -0.0003512500000000, 0.0000363600000000 ] - [ 0.0000846400000000, 0.0002735900000000, -0.0001907700000000 ] - [ 0.0003130600000000, 0.0000409300000000, -0.0001319100000000 ] - [ 0.0001760700000000, 0.0000983400000000, -0.0001569700000000 ] - [ -0.0032405100000000, -0.0060050500000000, 0.0030780700000000 ] - [ -0.0005666600000000, -0.0002167100000000, 0.0001635100000000 ] - [ -0.0001389100000000, -0.0001515800000000, 0.0002041400000000 ] - [ -0.0003347600000000, -0.0002129100000000, 0.0000780500000000 ] - [ -0.0000232000000000, -0.0001954600000000, -0.0001358300000000 ] - [ 0.0005265300000000, -0.0006230800000000, -0.0000443000000000 ] - [ 0.0002722700000000, -0.0001938600000000, -0.0001347400000000 ] - [ 0.0002894200000000, -0.0002241500000000, -0.0001003000000000 ] - [ 0.0001536400000000, 0.0002067800000000, 0.0002107700000000 ] - [ 0.0006434900000000, -0.0001950100000000, 0.0004921400000000 ] - [ 0.0001355300000000, 0.0001556000000000, 0.0001957500000000 ] - [ 0.0006782200000000, 0.0002832500000000, 0.0006657200000000 ] - [ -0.0001117500000000, 0.0001969400000000, -0.0003123100000000 ] - [ -0.0010275400000000, 0.0001693900000000, -0.0004700100000000 ] - [ -0.0002263900000000, 0.0004476300000000, -0.0002909400000000 ] - [ -0.0006286200000000, 0.0001359600000000, -0.0003658700000000 ] - [ 0.0002876100000000, 0.0001775200000000, 0.0001137100000000 ] - [ -0.0001017200000000, 0.0000941300000000, -0.0001258600000000 ] - [ 0.0001063000000000, 0.0001340900000000, 0.0000050900000000 ] - [ -0.0000541100000000, 0.0001246100000000, -0.0000403200000000 ] - [ -0.0060569200000000, 0.0003613900000000, 0.0042643900000000 ] - [ 0.0004398700000000, 0.0000950900000000, 0.0001574200000000 ] - [ -0.0000565500000000, 0.0000822100000000, -0.0001405700000000 ] - [ 0.0000899900000000, 0.0000650400000000, 0.0000519200000000 ] - [ -0.0010654600000000, 0.0006644400000000, 0.0005724100000000 ] - [ -0.0001556600000000, -0.0001039600000000, -0.0000165700000000 ] - [ -0.0004207000000000, -0.0000530100000000, -0.0002018000000000 ] - [ -0.0003736800000000, -0.0001300800000000, 0.0001005300000000 ] - [ 0.0007775500000000, -0.0001593500000000, -0.0001250100000000 ] - [ -0.0047319500000000, -0.0003914400000000, -0.0045018300000000 ] - [ 0.0002117800000000, -0.0001932600000000, 0.0000563000000000 ] - [ 0.0004292100000000, -0.0000680500000000, -0.0000730000000000 ] - [ 0.0003143000000000, 0.0003919800000000, 0.0003524300000000 ] - [ -0.0000543200000000, 0.0001896500000000, 0.0004616600000000 ] - [ -0.0001199100000000, 0.0002233100000000, 0.0003564100000000 ] - [ 0.0001537000000000, 0.0002172000000000, 0.0003025100000000 ] - [ -0.0051917200000000, -0.0023888400000000, -0.0031225000000000 ] - [ 0.0002908400000000, 0.0000474000000000, -0.0005000700000000 ] - [ -0.0000152800000000, 0.0000839500000000, -0.0005820500000000 ] - [ -0.0001506900000000, 0.0002346100000000, -0.0001405000000000 ] - [ -0.0004772000000000, 0.0000000800000000, -0.0003793100000000 ] - [ 0.0001319200000000, 0.0001535900000000, -0.0001535200000000 ] - [ -0.0001264700000000, 0.0000519800000000, -0.0004379600000000 ] - [ -0.0000200100000000, 0.0000446200000000, -0.0002261000000000 ] - [ 0.0005003500000000, 0.0000922200000000, 0.0004424400000000 ] - [ -0.0017985200000000, 0.0010246100000000, 0.0008893500000000 ] - [ 0.0003104700000000, -0.0001144500000000, 0.0003872400000000 ] - [ -0.0001149600000000, 0.0001247700000000, 0.0001652900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000011600000000, -0.0030042300000000, 0.0013903500000000 ] - [ -0.0005927600000000, -0.0001397000000000, -0.0001977100000000 ] - [ -0.0004058600000000, -0.0000608600000000, -0.0001372000000000 ] - [ -0.0005270000000000, -0.0001719800000000, -0.0001156900000000 ] - [ 0.0001322500000000, -0.0000809300000000, -0.0002358400000000 ] - [ 0.0000075400000000, -0.0000447200000000, -0.0003215700000000 ] - [ -0.0001889100000000, 0.0002479800000000, 0.0013169300000000 ] - [ 0.0001622800000000, 0.0000198700000000, -0.0001854500000000 ] - [ -0.0001552700000000, -0.0001773200000000, 0.0002248200000000 ] - [ -0.0001013900000000, -0.0000960400000000, 0.0003618800000000 ] - [ -0.0000232200000000, -0.0000375600000000, 0.0002367600000000 ] - [ -0.0004402200000000, -0.0001350000000000, 0.0003057000000000 ] - [ 0.0001106900000000, 0.0000765600000000, -0.0000572900000000 ] - [ 0.0009823900000000, 0.0005683400000000, 0.0020559700000000 ] - [ 0.0005391900000000, -0.0000512900000000, 0.0003408800000000 ] - [ 0.0003778000000000, -0.0001430500000000, 0.0001166800000000 ] - [ -0.0008838300000000, -0.0005810400000000, 0.0007569100000000 ] - [ 0.0015244500000000, -0.0002225300000000, -0.0007877700000000 ] - [ 0.0003006100000000, -0.0002603400000000, -0.0000104100000000 ] - [ 0.0002897300000000, -0.0002291800000000, 0.0000813300000000 ] - [ 0.0007205100000000, -0.0005194400000000, -0.0001032700000000 ] - [ -0.0010079700000000, -0.0005655600000000, 0.0000839100000000 ] - [ -0.0003154100000000, -0.0002379300000000, -0.0000553200000000 ] - [ -0.0004216800000000, -0.0002076900000000, -0.0002354300000000 ] - [ 0.0002789700000000, -0.0001874900000000, 0.0002992500000000 ] - [ 0.0001736800000000, -0.0020697600000000, 0.0006526000000000 ] - [ 0.0002675500000000, -0.0001213400000000, 0.0002287400000000 ] - [ 0.0002320300000000, -0.0002292400000000, 0.0003606100000000 ] - [ 0.0003598400000000, 0.0446907000000000, -0.0153261900000000 ] - [ -0.0001019500000000, -0.0001446000000000, -0.0003595100000000 ] - [ -0.0001700100000000, -0.0000998400000000, -0.0004122500000000 ] - [ -0.0004636400000000, -0.0000090900000000, -0.0004211600000000 ] - [ -0.0001471100000000, 0.0001218400000000, -0.0000637600000000 ] - [ -0.0000733800000000, 0.0003445000000000, -0.0006068900000000 ] - [ -0.0001243800000000, 0.0001375300000000, -0.0000744700000000 ] - [ -0.0001305500000000, 0.0001672900000000, -0.0000772200000000 ] - [ -0.0003586700000000, 0.0004354400000000, 0.0000194600000000 ] - [ 0.0002738700000000, 0.0002877600000000, 0.0001665900000000 ] - [ 0.0001341400000000, 0.0002014700000000, 0.0000447000000000 ] - [ 0.0001852900000000, 0.0002207800000000, 0.0001019300000000 ] - [ -0.0007412100000000, 0.0001572100000000, -0.0000564000000000 ] - [ 0.0003504600000000, 0.0002501300000000, -0.0000964000000000 ] - [ 0.0000614600000000, 0.0002595000000000, 0.0000187600000000 ] - [ 0.0001017000000000, 0.0002778800000000, 0.0000890900000000 ] - [ 0.0007135200000000, 0.0003470900000000, -0.0002847100000000 ] - [ -0.0018618300000000, 0.0005916400000000, -0.0010899700000000 ] - [ -0.0002351200000000, 0.0002268000000000, -0.0001914200000000 ] - [ -0.0000732000000000, 0.0002183200000000, 0.0000186500000000 ] - [ -0.0084020600000000, -0.0610164900000000, 0.0054885800000000 ] - [ 0.0000648000000000, 0.0000478300000000, 0.0000454600000000 ] - [ 0.0001039600000000, 0.0000713100000000, 0.0000099300000000 ] - [ 0.0000860600000000, 0.0000246900000000, 0.0000359700000000 ] - [ 0.0001019500000000, 0.0000884200000000, -0.0001145800000000 ] - [ 0.0001033800000000, -0.0000275900000000, -0.0000128400000000 ] - [ 0.0000470600000000, 0.0000470800000000, -0.0001621800000000 ] - [ 0.0001451800000000, 0.0000866600000000, -0.0001004200000000 ] - [ -0.0001017100000000, 0.0002865900000000, 0.0000736900000000 ] - [ -0.0001017900000000, 0.0002061900000000, -0.0001914500000000 ] - [ -0.0001196300000000, 0.0002552500000000, -0.0000249500000000 ] - [ -0.0000799100000000, 0.0002500100000000, 0.0000004100000000 ] - [ -0.0005260700000000, -0.0003944300000000, 0.0004844800000000 ] - [ 0.0002646700000000, -0.0004281000000000, 0.0004930900000000 ] - [ -0.0001760100000000, -0.0004991900000000, 0.0001437600000000 ] - [ -0.0001523000000000, -0.0002744900000000, 0.0000557800000000 ] - [ -0.0001584500000000, -0.0002273500000000, -0.0002912100000000 ] - [ 0.0000025100000000, -0.0001288800000000, -0.0001343500000000 ] - [ 0.0000371800000000, -0.0002180300000000, -0.0003432600000000 ] - [ 0.0000627500000000, 0.0000044900000000, -0.0003601700000000 ] - [ -0.0001446100000000, 0.0000132600000000, 0.0003972200000000 ] - [ 0.0000980400000000, 0.0000845200000000, 0.0002226200000000 ] - [ 0.0002746300000000, -0.0002182500000000, -0.0003347300000000 ] - [ -0.0000056700000000, -0.0000844200000000, 0.0000999100000000 ] - [ -0.0000476000000000, -0.0000029600000000, 0.0000378700000000 ] - [ -0.0000511600000000, 0.0022001900000000, 0.0016205100000000 ] - [ -0.0000190500000000, -0.0000487600000000, -0.0000276500000000 ] - [ -0.0000626600000000, 0.0000066900000000, -0.0000395600000000 ] - [ -0.0007499300000000, 0.0090935300000000, 0.0032846500000000 ] - [ 0.0000322200000000, -0.0000216400000000, 0.0000527200000000 ] - [ 0.0000062400000000, -0.0000299000000000, 0.0000487000000000 ] - [ 0.0002026200000000, -0.0002447600000000, -0.0003497100000000 ] - [ 0.0015087800000000, 0.0035963300000000, -0.0015618500000000 ] - [ 0.0004897800000000, -0.0000148000000000, -0.0000668900000000 ] - [ 0.0004302800000000, -0.0000042900000000, -0.0000907500000000 ] - [ 0.0005488500000000, 0.0000892400000000, -0.0000608200000000 ] - [ -0.0004703900000000, -0.0001668800000000, 0.0000820500000000 ] - [ -0.0003279100000000, -0.0011146100000000, 0.0001771900000000 ] - [ -0.0003991300000000, -0.0002033900000000, 0.0002508500000000 ] - [ -0.0006060100000000, -0.0000461500000000, 0.0001536000000000 ] - [ -0.0007821000000000, -0.0003284500000000, 0.0001292900000000 ] - [ 0.0004549600000000, 0.0001436800000000, -0.0001017500000000 ] - [ -0.0002370400000000, 0.0000480600000000, 0.0001060700000000 ] - [ -0.0001897900000000, 0.0000079500000000, 0.0001572500000000 ] - [ 0.0004010400000000, 0.0004128700000000, -0.0002440900000000 ] - [ 0.0000967400000000, 0.0003738000000000, -0.0000582400000000 ] - [ 0.0002325700000000, 0.0002177400000000, -0.0002021600000000 ] - [ 0.0002295000000000, 0.0001217600000000, -0.0001696900000000 ] - [ 0.0065815400000000, -0.0001953900000000, -0.0007966400000000 ] - [ -0.0004332500000000, -0.0003190400000000, 0.0002417200000000 ] - [ -0.0003694000000000, -0.0002839900000000, 0.0000593700000000 ] - [ -0.0002439900000000, -0.0002065200000000, 0.0001356900000000 ] - [ 0.0001749700000000, -0.0000804000000000, -0.0001014800000000 ] - [ 0.0006314600000000, 0.0006630000000000, -0.0000339100000000 ] - [ 0.0000099400000000, -0.0000818300000000, -0.0002098500000000 ] - [ 0.0003016500000000, -0.0001508200000000, -0.0001803100000000 ] - [ 0.0002965100000000, 0.0001281300000000, 0.0002309100000000 ] - [ 0.0006496500000000, 0.0001190500000000, -0.0001043000000000 ] - [ 0.0004699100000000, 0.0001518600000000, 0.0003371300000000 ] - [ 0.0003713600000000, 0.0002775000000000, 0.0005182900000000 ] - [ -0.0002816600000000, 0.0002320400000000, -0.0002808800000000 ] - [ -0.0005707300000000, 0.0002179700000000, -0.0001595600000000 ] - [ -0.0003466300000000, 0.0002158900000000, -0.0002995500000000 ] - [ -0.0003732800000000, 0.0001911000000000, -0.0002563200000000 ] - [ -0.0000628400000000, 0.0000146100000000, -0.0000403100000000 ] - [ 0.0006433000000000, -0.0009271800000000, 0.0003128300000000 ] - [ 0.0000019200000000, -0.0000949600000000, 0.0002268800000000 ] - [ -0.0000397400000000, 0.0000025400000000, 0.0000900000000000 ] - [ 0.0010307400000000, 0.0010152800000000, -0.0008651000000000 ] - [ -0.0001904000000000, 0.0001948300000000, -0.0000876200000000 ] - [ -0.0001288500000000, 0.0003562900000000, 0.0001243000000000 ] - [ -0.0001041000000000, 0.0002395500000000, 0.0000792200000000 ] - [ -0.0004620400000000, -0.0011109300000000, -0.0000102700000000 ] - [ -0.0002916200000000, -0.0002163700000000, -0.0000457300000000 ] - [ -0.0002809500000000, -0.0002370200000000, 0.0001362900000000 ] - [ -0.0004220600000000, -0.0003319000000000, 0.0002369600000000 ] - [ 0.0005516800000000, -0.0000176800000000, 0.0000031700000000 ] - [ -0.0005306000000000, 0.0006343900000000, -0.0008234600000000 ] - [ 0.0005678500000000, 0.0001182500000000, 0.0001487800000000 ] - [ 0.0003942600000000, -0.0000176400000000, 0.0000518400000000 ] - [ 0.0001245400000000, -0.0001111200000000, 0.0002980300000000 ] - [ -0.0002919900000000, -0.0004745000000000, 0.0001060500000000 ] - [ 0.0004141000000000, 0.0000055300000000, 0.0006942800000000 ] - [ 0.0000925100000000, 0.0000825400000000, 0.0003620400000000 ] - [ 0.0034555000000000, 0.0037871000000000, 0.0026619700000000 ] - [ -0.0001616200000000, 0.0004032900000000, -0.0003513400000000 ] - [ 0.0000245700000000, 0.0004061000000000, -0.0004166400000000 ] - [ -0.0001523700000000, 0.0005663000000000, -0.0002595700000000 ] - [ 0.0002465300000000, -0.0005311100000000, -0.0004105900000000 ] - [ -0.0001307100000000, -0.0002347900000000, -0.0003667300000000 ] - [ -0.0004274500000000, -0.0002312300000000, -0.0001430000000000 ] - [ -0.0001220600000000, -0.0000838400000000, -0.0002762400000000 ] - [ 0.0001275900000000, 0.0001905000000000, 0.0002895600000000 ] - [ -0.0016999900000000, 0.0031981600000000, 0.0023441600000000 ] - [ 0.0000982100000000, 0.0002673600000000, 0.0002063000000000 ] - [ 0.0000090400000000, 0.0002039200000000, 0.0002460000000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007931100000000, 0.0027753400000000, -0.0016571000000000 ] - [ -0.0001952000000000, -0.0000535600000000, -0.0001015700000000 ] - [ -0.0003821000000000, -0.0001360100000000, -0.0001575000000000 ] - [ -0.0002618800000000, -0.0000185700000000, -0.0001827600000000 ] - [ 0.0000326100000000, 0.0000929000000000, -0.0001326400000000 ] - [ 0.0001549300000000, 0.0000555600000000, -0.0000448200000000 ] - [ 0.0003544200000000, -0.0002177000000000, -0.0016851100000000 ] - [ -0.0000021900000000, -0.0000074800000000, -0.0001812700000000 ] - [ -0.0000071500000000, 0.0001867700000000, 0.0001433200000000 ] - [ -0.0000587600000000, 0.0001093500000000, 0.0000029000000000 ] - [ -0.0001400900000000, 0.0000476500000000, 0.0001337300000000 ] - [ 0.0002821800000000, 0.0001454000000000, 0.0000605600000000 ] - [ 0.0006788200000000, -0.0002693400000000, 0.0003562000000000 ] - [ -0.0002392600000000, -0.0007544400000000, -0.0018119400000000 ] - [ 0.0002488700000000, -0.0001389600000000, -0.0000458900000000 ] - [ 0.0004099600000000, -0.0000506600000000, 0.0001832000000000 ] - [ 0.0015438700000000, 0.0001521100000000, -0.0006256400000000 ] - [ -0.0008758000000000, -0.0002147300000000, 0.0009404600000000 ] - [ 0.0003584100000000, -0.0001720900000000, 0.0001515100000000 ] - [ 0.0003671500000000, -0.0001996100000000, 0.0000608600000000 ] - [ -0.0013669500000000, 0.0000838700000000, -0.0000414300000000 ] - [ 0.0003492800000000, 0.0001353000000000, -0.0002278700000000 ] - [ -0.0003401300000000, -0.0001995900000000, -0.0000861600000000 ] - [ -0.0002349800000000, -0.0002291000000000, 0.0000928000000000 ] - [ 0.0001316300000000, -0.0001132300000000, 0.0003611300000000 ] - [ 0.0002375500000000, 0.0017664300000000, 0.0000094900000000 ] - [ 0.0001464500000000, -0.0001781400000000, 0.0004291300000000 ] - [ 0.0001817100000000, -0.0000707300000000, 0.0002994600000000 ] - [ -0.0010878700000000, -0.0471993000000000, 0.0156113000000000 ] - [ -0.0003119700000000, -0.0001546000000000, -0.0003021000000000 ] - [ -0.0002408100000000, -0.0002003800000000, -0.0002481700000000 ] - [ 0.0000516100000000, -0.0002911000000000, -0.0002393300000000 ] - [ -0.0000845400000000, 0.0002559800000000, -0.0000944900000000 ] - [ -0.0001566200000000, 0.0000308500000000, 0.0004498200000000 ] - [ -0.0001083500000000, 0.0002409300000000, -0.0000847900000000 ] - [ -0.0000996600000000, 0.0002108700000000, -0.0000815700000000 ] - [ 0.0005834100000000, -0.0000573700000000, 0.0001418000000000 ] - [ -0.0000443100000000, 0.0000896300000000, -0.0000064300000000 ] - [ 0.0000988500000000, 0.0001759300000000, 0.0001143400000000 ] - [ 0.0000471600000000, 0.0001573400000000, 0.0000572700000000 ] - [ 0.0009203500000000, 0.0002814700000000, 0.0000770800000000 ] - [ -0.0001599200000000, 0.0001964800000000, 0.0001179400000000 ] - [ 0.0001316300000000, 0.0001891200000000, 0.0000039200000000 ] - [ 0.0000908400000000, 0.0001704600000000, -0.0000673900000000 ] - [ -0.0009088000000000, 0.0001008700000000, 0.0002637400000000 ] - [ 0.0017036800000000, -0.0001525900000000, 0.0010925200000000 ] - [ 0.0000442800000000, 0.0002236300000000, 0.0001746500000000 ] - [ -0.0001179500000000, 0.0002301500000000, -0.0000422800000000 ] - [ 0.0089142600000000, 0.0637542600000000, -0.0063664500000000 ] - [ 0.0001035800000000, 0.0002869800000000, -0.0000714500000000 ] - [ 0.0000630800000000, 0.0002638400000000, -0.0000356800000000 ] - [ 0.0000823400000000, 0.0003099500000000, -0.0000610300000000 ] - [ 0.0001445400000000, -0.0004805500000000, -0.0000591400000000 ] - [ 0.0001417800000000, -0.0003655500000000, -0.0001623000000000 ] - [ 0.0001998700000000, -0.0004413400000000, -0.0000117200000000 ] - [ 0.0001005100000000, -0.0004807600000000, -0.0000717600000000 ] - [ -0.0000657400000000, 0.0000476900000000, -0.0000484900000000 ] - [ -0.0000647400000000, 0.0001174400000000, 0.0002148600000000 ] - [ -0.0000481900000000, 0.0000786600000000, 0.0000502900000000 ] - [ -0.0000884400000000, 0.0000853000000000, 0.0000256300000000 ] - [ 0.0002792700000000, -0.0000001700000000, -0.0003119900000000 ] - [ -0.0005120100000000, 0.0000376900000000, -0.0003200400000000 ] - [ -0.0000721000000000, 0.0000979000000000, 0.0000445400000000 ] - [ -0.0000940700000000, -0.0001197100000000, 0.0001177300000000 ] - [ 0.0001704100000000, 0.0000099500000000, -0.0000035500000000 ] - [ 0.0000045200000000, -0.0000869500000000, -0.0001616200000000 ] - [ -0.0000266100000000, -0.0000014000000000, 0.0000503400000000 ] - [ -0.0000531800000000, -0.0002228500000000, 0.0000670900000000 ] - [ 0.0001343400000000, -0.0002343900000000, -0.0001045400000000 ] - [ -0.0001143400000000, -0.0003101700000000, 0.0000689500000000 ] - [ -0.0002860500000000, -0.0000032400000000, 0.0006228600000000 ] - [ -0.0000054200000000, -0.0001353000000000, 0.0001935500000000 ] - [ -0.0000199300000000, -0.0000421000000000, -0.0000641600000000 ] - [ -0.0000177700000000, -0.0022358000000000, -0.0016244900000000 ] - [ -0.0000468300000000, 0.0000022000000000, 0.0000041400000000 ] - [ -0.0000048100000000, -0.0000529900000000, 0.0000149500000000 ] - [ 0.0008172600000000, -0.0093264400000000, -0.0032889300000000 ] - [ 0.0000374300000000, -0.0000229000000000, -0.0000267900000000 ] - [ 0.0000628300000000, -0.0000145700000000, -0.0000222100000000 ] - [ -0.0001350000000000, 0.0002005000000000, 0.0003749200000000 ] - [ -0.0005370300000000, -0.0036707900000000, 0.0014012400000000 ] - [ 0.0004577100000000, -0.0001048400000000, -0.0000711700000000 ] - [ 0.0005157800000000, -0.0001177500000000, -0.0000466700000000 ] - [ 0.0003982300000000, -0.0002122600000000, -0.0000752100000000 ] - [ -0.0004756800000000, 0.0000454300000000, 0.0000543700000000 ] - [ -0.0006186700000000, 0.0010015700000000, -0.0000466200000000 ] - [ -0.0005437600000000, 0.0000820600000000, -0.0001093800000000 ] - [ -0.0003435500000000, -0.0000738500000000, -0.0000138100000000 ] - [ 0.0003478200000000, 0.0004746400000000, 0.0001601400000000 ] - [ -0.0009063500000000, 0.0000071200000000, 0.0003897700000000 ] - [ -0.0002055400000000, 0.0001068200000000, 0.0001821700000000 ] - [ -0.0002527800000000, 0.0001469200000000, 0.0001307800000000 ] - [ 0.0000414300000000, -0.0002583000000000, -0.0000424700000000 ] - [ 0.0003467000000000, -0.0002185100000000, -0.0002287900000000 ] - [ 0.0002094400000000, -0.0000604100000000, -0.0000831700000000 ] - [ 0.0002128500000000, 0.0000348400000000, -0.0001151700000000 ] - [ -0.0071536500000000, -0.0001987400000000, 0.0010791900000000 ] - [ -0.0000920500000000, -0.0000709300000000, 0.0000199600000000 ] - [ -0.0001593800000000, -0.0001064500000000, 0.0002042500000000 ] - [ -0.0002837000000000, -0.0001839500000000, 0.0001291700000000 ] - [ 0.0003547800000000, -0.0003104800000000, -0.0001627500000000 ] - [ -0.0000953100000000, -0.0010479000000000, -0.0002263800000000 ] - [ 0.0005151600000000, -0.0003084800000000, -0.0000529000000000 ] - [ 0.0002265600000000, -0.0002402500000000, -0.0000826200000000 ] - [ 0.0005186700000000, 0.0002014300000000, 0.0003434300000000 ] - [ 0.0001650000000000, 0.0002067400000000, 0.0006777200000000 ] - [ 0.0003425800000000, 0.0001775200000000, 0.0002358200000000 ] - [ 0.0004401900000000, 0.0000530300000000, 0.0000536000000000 ] - [ -0.0005335100000000, 0.0000977300000000, -0.0002919100000000 ] - [ -0.0002423200000000, 0.0001110200000000, -0.0004147400000000 ] - [ -0.0004613300000000, 0.0001175300000000, -0.0002713400000000 ] - [ -0.0004398300000000, 0.0001390800000000, -0.0003171800000000 ] - [ 0.0001057700000000, 0.0002220100000000, 0.0000635200000000 ] - [ -0.0006096400000000, 0.0011654500000000, -0.0002933100000000 ] - [ 0.0000410100000000, 0.0003315200000000, -0.0002049900000000 ] - [ 0.0000845600000000, 0.0002342900000000, -0.0000673000000000 ] - [ -0.0010612900000000, -0.0007753000000000, 0.0008408900000000 ] - [ 0.0001474100000000, 0.0000410000000000, 0.0000663600000000 ] - [ 0.0000878200000000, -0.0001184300000000, -0.0001491700000000 ] - [ 0.0000594600000000, -0.0000042400000000, -0.0001035400000000 ] - [ -0.0002811600000000, 0.0008926200000000, -0.0000275800000000 ] - [ -0.0004653100000000, -0.0000105200000000, 0.0000105400000000 ] - [ -0.0004757400000000, 0.0000097200000000, -0.0001721600000000 ] - [ -0.0003340200000000, 0.0001054000000000, -0.0002747500000000 ] - [ 0.0002030500000000, -0.0002108300000000, 0.0000345200000000 ] - [ 0.0012797200000000, -0.0008540900000000, 0.0008536400000000 ] - [ 0.0001863100000000, -0.0003444900000000, -0.0001157900000000 ] - [ 0.0003630800000000, -0.0002098100000000, -0.0000167300000000 ] - [ 0.0000544500000000, 0.0005039100000000, 0.0004657100000000 ] - [ 0.0004685000000000, 0.0008694300000000, 0.0006561900000000 ] - [ -0.0002315100000000, 0.0003871100000000, 0.0000695000000000 ] - [ 0.0000872800000000, 0.0003106600000000, 0.0003998600000000 ] - [ -0.0036911500000000, -0.0033987200000000, -0.0034690000000000 ] - [ -0.0000164000000000, -0.0000121700000000, -0.0004124100000000 ] - [ -0.0002041600000000, -0.0000143200000000, -0.0003453500000000 ] - [ -0.0000269200000000, -0.0001759000000000, -0.0005038100000000 ] - [ -0.0004787100000000, 0.0005667600000000, -0.0001414400000000 ] - [ -0.0001067900000000, 0.0002729400000000, -0.0001849000000000 ] - [ 0.0001877700000000, 0.0002692800000000, -0.0004073900000000 ] - [ -0.0001161500000000, 0.0001201100000000, -0.0002770900000000 ] - [ 0.0001073000000000, -0.0001559000000000, 0.0002614600000000 ] - [ 0.0019876500000000, -0.0031777800000000, -0.0018321000000000 ] - [ 0.0001385300000000, -0.0002315500000000, 0.0003462400000000 ] - [ 0.0002287900000000, -0.0001680200000000, 0.0003066700000000 ]- atom: 49 displacement: [ -0.0045549923526468, 0.0000000000000000, 0.0089023617466001 ] forces: - [ -0.0016319400000000, 0.0008948600000000, 0.0006623000000000 ] - [ -0.0001401800000000, -0.0000816600000000, -0.0000727200000000 ] - [ -0.0002613400000000, -0.0001973300000000, -0.0005589400000000 ] - [ -0.0004455300000000, -0.0001129700000000, -0.0002995800000000 ] - [ 0.0002043300000000, -0.0001536600000000, -0.0005952900000000 ] - [ -0.0000035200000000, -0.0000444700000000, -0.0003200900000000 ] - [ 0.0003617500000000, 0.0013547500000000, -0.0013206600000000 ] - [ 0.0001421900000000, 0.0000281100000000, -0.0001898200000000 ] - [ -0.0000607500000000, 0.0000883600000000, 0.0000384800000000 ] - [ 0.0002659600000000, -0.0003392600000000, 0.0000113200000000 ] - [ -0.0000836500000000, 0.0000331800000000, 0.0001992800000000 ] - [ 0.0002316700000000, 0.0000892800000000, 0.0000407200000000 ] - [ 0.0007733700000000, -0.0002390200000000, 0.0004805200000000 ] - [ -0.0015886700000000, 0.0006938500000000, -0.0010370200000000 ] - [ 0.0001710600000000, -0.0002597100000000, -0.0001101500000000 ] - [ 0.0005488300000000, -0.0004150000000000, -0.0002218000000000 ] - [ 0.0017195800000000, 0.0001368500000000, -0.0008126600000000 ] - [ -0.0004310100000000, -0.0005160600000000, 0.0013524000000000 ] - [ 0.0001632300000000, -0.0002371300000000, -0.0001423400000000 ] - [ 0.0004978900000000, -0.0002415200000000, -0.0000036000000000 ] - [ -0.0009668800000000, -0.0005100500000000, 0.0001908400000000 ] - [ 0.0001452700000000, 0.0004084900000000, -0.0000721600000000 ] - [ -0.0002586900000000, -0.0001445100000000, -0.0001922400000000 ] - [ -0.0004931900000000, -0.0002657100000000, -0.0002679400000000 ] - [ 0.0002418800000000, -0.0001804800000000, 0.0003402300000000 ] - [ -0.0000765200000000, 0.0001659000000000, 0.0012150600000000 ] - [ 0.0001471800000000, -0.0001349900000000, 0.0003722700000000 ] - [ 0.0002921900000000, -0.0000807200000000, 0.0001868600000000 ] - [ -0.0045342400000000, -0.0167848500000000, 0.0153456300000000 ] - [ -0.0002755400000000, -0.0000683200000000, -0.0003585500000000 ] - [ -0.0001242900000000, -0.0001929200000000, -0.0004402600000000 ] - [ -0.0000464000000000, -0.0002386700000000, -0.0003008100000000 ] - [ -0.0001219900000000, 0.0002152100000000, -0.0001785600000000 ] - [ -0.0007330900000000, 0.0004345000000000, -0.0004833400000000 ] - [ 0.0000996700000000, 0.0002083000000000, 0.0000576500000000 ] - [ -0.0002927100000000, 0.0002076800000000, 0.0000486300000000 ] - [ 0.0007279700000000, 0.0005100300000000, -0.0005020400000000 ] - [ -0.0001795100000000, 0.0000001200000000, -0.0000859900000000 ] - [ -0.0000343600000000, 0.0002299800000000, 0.0002466800000000 ] - [ 0.0002398000000000, 0.0002705300000000, 0.0002182100000000 ] - [ 0.0006449000000000, 0.0001031600000000, -0.0000265700000000 ] - [ -0.0000704600000000, 0.0001525200000000, 0.0000144700000000 ] - [ 0.0000437600000000, 0.0002680100000000, 0.0002035400000000 ] - [ 0.0001365100000000, 0.0002695400000000, 0.0000998900000000 ] - [ -0.0008912300000000, 0.0000987300000000, 0.0002596300000000 ] - [ 0.0022919800000000, -0.0003800500000000, 0.0004463200000000 ] - [ -0.0000689100000000, 0.0002077500000000, 0.0000798100000000 ] - [ -0.0002247700000000, 0.0002091300000000, 0.0001169600000000 ] - [ 0.0152352600000000, 0.0095252600000000, -0.0323615400000000 ] - [ 0.0000176000000000, 0.0002305800000000, -0.0001197000000000 ] - [ 0.0000007900000000, 0.0001801000000000, 0.0002088100000000 ] - [ 0.0001999300000000, 0.0002117600000000, 0.0000477100000000 ] - [ 0.0001715700000000, -0.0002030300000000, -0.0000322500000000 ] - [ 0.0000670200000000, -0.0001622200000000, -0.0000488100000000 ] - [ 0.0001457600000000, -0.0003078900000000, -0.0000084800000000 ] - [ 0.0001048200000000, -0.0003524600000000, 0.0000842500000000 ] - [ -0.0001221900000000, 0.0001071400000000, -0.0001301100000000 ] - [ -0.0000398300000000, 0.0003411200000000, -0.0003526900000000 ] - [ -0.0000275300000000, 0.0001869000000000, 0.0001392300000000 ] - [ -0.0001512700000000, 0.0001824200000000, 0.0001778100000000 ] - [ -0.0006390200000000, -0.0002872900000000, 0.0008708500000000 ] - [ -0.0000116500000000, -0.0001508200000000, 0.0001839100000000 ] - [ 0.0001235500000000, -0.0008569600000000, 0.0015324900000000 ] - [ -0.0001904800000000, -0.0002196200000000, 0.0000910800000000 ] - [ 0.0003266700000000, 0.0000862600000000, -0.0002132000000000 ] - [ -0.0005881600000000, 0.0004689600000000, -0.0003230700000000 ] - [ -0.0000237400000000, -0.0000599200000000, -0.0000281400000000 ] - [ -0.0000001400000000, -0.0001060500000000, 0.0001267900000000 ] - [ -0.0005647300000000, 0.0005396400000000, 0.0005482600000000 ] - [ 0.0002559200000000, 0.0000690800000000, 0.0002482100000000 ] - [ -0.0001145500000000, -0.0003610800000000, 0.0007583500000000 ] - [ -0.0000630700000000, -0.0001160300000000, 0.0001732000000000 ] - [ -0.0000921900000000, -0.0000133100000000, -0.0000941900000000 ] - [ 0.0002370800000000, 0.0011886500000000, 0.0003722300000000 ] - [ 0.0000248800000000, -0.0000672300000000, 0.0000800800000000 ] - [ -0.0000225300000000, -0.0000777500000000, 0.0000834600000000 ] - [ 0.0008042600000000, 0.0054013800000000, -0.0025813800000000 ] - [ -0.0000203800000000, -0.0000563200000000, -0.0000501800000000 ] - [ 0.0000226700000000, -0.0000358100000000, 0.0001638400000000 ] - [ 0.0000854100000000, 0.0002018700000000, 0.0004181400000000 ] - [ 0.0004651300000000, -0.0011161900000000, 0.0003467400000000 ] - [ 0.0004141900000000, -0.0000643000000000, -0.0000859800000000 ] - [ 0.0004108900000000, -0.0001005100000000, 0.0001517100000000 ] - [ 0.0004559700000000, -0.0001946300000000, 0.0000201400000000 ] - [ -0.0005539000000000, -0.0000481500000000, 0.0000290800000000 ] - [ -0.0001943400000000, -0.0008215600000000, 0.0002652400000000 ] - [ -0.0002000400000000, 0.0000717000000000, 0.0004553300000000 ] - [ -0.0010842500000000, 0.0001531400000000, 0.0006988200000000 ] - [ -0.0005555700000000, 0.0003555900000000, -0.0004761000000000 ] - [ -0.0010648900000000, -0.0003951400000000, -0.0001039200000000 ] - [ -0.0002320300000000, 0.0000569300000000, 0.0003246800000000 ] - [ -0.0002381000000000, 0.0000645900000000, 0.0002744400000000 ] - [ 0.0000240100000000, -0.0001874000000000, -0.0001673400000000 ] - [ 0.0002891100000000, -0.0000479100000000, -0.0004544100000000 ] - [ 0.0002326900000000, 0.0000770600000000, 0.0000029900000000 ] - [ 0.0001908300000000, 0.0001114900000000, -0.0000555800000000 ] - [ -0.0034061300000000, -0.0031927800000000, 0.0006561100000000 ] - [ -0.0001824000000000, -0.0001464700000000, 0.0000304300000000 ] - [ -0.0002929600000000, -0.0001098300000000, 0.0002951500000000 ] - [ -0.0003637100000000, -0.0002312300000000, 0.0001648500000000 ] - [ 0.0002238800000000, -0.0002363700000000, -0.0001929100000000 ] - [ 0.0003220300000000, -0.0003745200000000, -0.0004347700000000 ] - [ 0.0004595000000000, -0.0002527600000000, -0.0000714800000000 ] - [ 0.0001116400000000, -0.0002265500000000, -0.0000283600000000 ] - [ 0.0003173000000000, 0.0001772800000000, 0.0002822800000000 ] - [ 0.0001811200000000, -0.0004464600000000, 0.0006600000000000 ] - [ 0.0005061800000000, 0.0001807100000000, 0.0002651600000000 ] - [ 0.0004334100000000, 0.0003639600000000, 0.0006248600000000 ] - [ -0.0005765900000000, 0.0001685000000000, -0.0002641300000000 ] - [ -0.0004747700000000, 0.0001293800000000, -0.0004376300000000 ] - [ -0.0005727700000000, 0.0006182400000000, -0.0001591200000000 ] - [ -0.0003260400000000, 0.0001501500000000, -0.0003034500000000 ] - [ 0.0000614600000000, 0.0001416400000000, 0.0001903200000000 ] - [ 0.0005045500000000, -0.0000773300000000, 0.0005907900000000 ] - [ -0.0000162400000000, 0.0001638100000000, -0.0002147500000000 ] - [ 0.0001228600000000, 0.0001346500000000, -0.0002042900000000 ] - [ -0.0071708700000000, 0.0007499300000000, 0.0074993600000000 ] - [ 0.0000803300000000, 0.0000730000000000, 0.0002500100000000 ] - [ 0.0002939500000000, 0.0001270500000000, -0.0004176400000000 ] - [ -0.0000598500000000, 0.0001335200000000, -0.0001402300000000 ] - [ -0.0013722100000000, 0.0001199900000000, 0.0007774700000000 ] - [ -0.0002368500000000, -0.0000993900000000, 0.0001383100000000 ] - [ -0.0003943600000000, -0.0000895000000000, -0.0002457200000000 ] - [ -0.0004205000000000, -0.0000662300000000, -0.0002761000000000 ] - [ 0.0006412600000000, -0.0001587600000000, 0.0000904000000000 ] - [ 0.0024855500000000, 0.0001499300000000, 0.0039791700000000 ] - [ -0.0000934800000000, -0.0000630900000000, -0.0003539800000000 ] - [ 0.0005082900000000, -0.0000354500000000, -0.0001365600000000 ] - [ 0.0002739200000000, 0.0003093500000000, 0.0004324800000000 ] - [ 0.0000054500000000, 0.0003654100000000, 0.0005777100000000 ] - [ -0.0002583400000000, 0.0003016600000000, 0.0001094100000000 ] - [ 0.0001902400000000, 0.0002040700000000, 0.0002866600000000 ] - [ -0.0005946500000000, 0.0005751300000000, 0.0013919900000000 ] - [ 0.0002547500000000, 0.0001346200000000, -0.0003503000000000 ] - [ -0.0000012200000000, 0.0001108200000000, -0.0006106900000000 ] - [ -0.0002584800000000, 0.0000274900000000, -0.0007165600000000 ] - [ -0.0001237900000000, -0.0001156000000000, -0.0002562700000000 ] - [ -0.0001638600000000, 0.0001234800000000, -0.0001687100000000 ] - [ 0.0001235100000000, 0.0001509800000000, -0.0005444600000000 ] - [ -0.0001335700000000, 0.0000083300000000, -0.0003368800000000 ] - [ 0.0001212100000000, 0.0000855500000000, 0.0003989300000000 ] - [ -0.0005866400000000, 0.0010961400000000, 0.0022204100000000 ] - [ 0.0000699400000000, -0.0000939500000000, 0.0001936300000000 ] - [ 0.0002249500000000, 0.0000796700000000, -0.0000662600000000 ]- atom: 49 displacement: [ 0.0045549923526468, 0.0000000000000000, -0.0089023617466001 ] forces: - [ 0.0008676100000000, -0.0010852900000000, -0.0009723100000000 ] - [ -0.0006470600000000, -0.0001093400000000, -0.0002259500000000 ] - [ -0.0005254800000000, 0.0000088000000000, 0.0002585600000000 ] - [ -0.0003414400000000, -0.0000768600000000, 0.0000025300000000 ] - [ -0.0000455600000000, 0.0001683500000000, 0.0002200700000000 ] - [ 0.0001668200000000, 0.0000587400000000, -0.0000494800000000 ] - [ -0.0002021600000000, -0.0013582800000000, 0.0009624100000000 ] - [ 0.0000180100000000, -0.0000142900000000, -0.0001794500000000 ] - [ -0.0001005200000000, -0.0000771100000000, 0.0003338800000000 ] - [ -0.0004293400000000, 0.0003530400000000, 0.0003622600000000 ] - [ -0.0000765700000000, -0.0000228400000000, 0.0001709400000000 ] - [ -0.0003971600000000, -0.0000767200000000, 0.0003304100000000 ] - [ 0.0000112300000000, 0.0000491300000000, -0.0001824300000000 ] - [ 0.0023736000000000, -0.0008676200000000, 0.0013493900000000 ] - [ 0.0006184100000000, 0.0000682200000000, 0.0004085500000000 ] - [ 0.0002363100000000, 0.0002301900000000, 0.0005218200000000 ] - [ -0.0010691800000000, -0.0005699100000000, 0.0009470000000000 ] - [ 0.0010954300000000, 0.0000790200000000, -0.0012143200000000 ] - [ 0.0004913400000000, -0.0001962800000000, 0.0002832900000000 ] - [ 0.0001555600000000, -0.0001888800000000, 0.0001453800000000 ] - [ 0.0003271500000000, 0.0000723900000000, -0.0003326200000000 ] - [ -0.0007996000000000, -0.0008500800000000, -0.0000691900000000 ] - [ -0.0003925900000000, -0.0002940400000000, 0.0000514500000000 ] - [ -0.0001631300000000, -0.0001738400000000, 0.0001271300000000 ] - [ 0.0001699600000000, -0.0001219600000000, 0.0003196700000000 ] - [ 0.0004949400000000, -0.0004593100000000, -0.0005708500000000 ] - [ 0.0002634200000000, -0.0001671300000000, 0.0002909600000000 ] - [ 0.0001180300000000, -0.0002211100000000, 0.0004741700000000 ] - [ 0.0040871200000000, 0.0162395900000000, -0.0159889300000000 ] - [ -0.0001344300000000, -0.0002356500000000, -0.0003013600000000 ] - [ -0.0002863000000000, -0.0001106600000000, -0.0002191400000000 ] - [ -0.0003669700000000, -0.0000630700000000, -0.0003594300000000 ] - [ -0.0001080600000000, 0.0001612200000000, 0.0000205800000000 ] - [ 0.0004997800000000, -0.0000515000000000, 0.0003190400000000 ] - [ -0.0003322500000000, 0.0001683100000000, -0.0002167800000000 ] - [ 0.0000639200000000, 0.0001690600000000, -0.0002084000000000 ] - [ -0.0005171900000000, -0.0001327900000000, 0.0006731200000000 ] - [ 0.0004108700000000, 0.0003780100000000, 0.0002451900000000 ] - [ 0.0002641300000000, 0.0001471300000000, -0.0000882500000000 ] - [ -0.0000076300000000, 0.0001070600000000, -0.0000597900000000 ] - [ -0.0004669800000000, 0.0003364600000000, 0.0000446100000000 ] - [ 0.0002614700000000, 0.0002957900000000, 0.0000099900000000 ] - [ 0.0001459800000000, 0.0001802900000000, -0.0001792600000000 ] - [ 0.0000543500000000, 0.0001776200000000, -0.0000777000000000 ] - [ 0.0007027300000000, 0.0003496400000000, -0.0002831000000000 ] - [ -0.0024894700000000, 0.0008267800000000, -0.0004777400000000 ] - [ -0.0001238400000000, 0.0002409200000000, -0.0001036700000000 ] - [ 0.0000350300000000, 0.0002387500000000, -0.0001411500000000 ] - [ -0.0148733000000000, -0.0088993300000000, 0.0321897700000000 ] - [ 0.0001527500000000, 0.0001073000000000, 0.0000930400000000 ] - [ 0.0001695200000000, 0.0001571700000000, -0.0002358800000000 ] - [ -0.0000298100000000, 0.0001258100000000, -0.0000752300000000 ] - [ 0.0000726300000000, -0.0001901800000000, -0.0001387500000000 ] - [ 0.0001778700000000, -0.0002326000000000, -0.0001222400000000 ] - [ 0.0000979900000000, -0.0000858000000000, -0.0001632800000000 ] - [ 0.0001403900000000, -0.0000434000000000, -0.0002576300000000 ] - [ -0.0000488800000000, 0.0002312800000000, 0.0001572200000000 ] - [ -0.0001310900000000, -0.0000044400000000, 0.0003810600000000 ] - [ -0.0001439600000000, 0.0001513300000000, -0.0001135000000000 ] - [ -0.0000189100000000, 0.0001552400000000, -0.0001517900000000 ] - [ 0.0003934200000000, -0.0001083200000000, -0.0006960700000000 ] - [ -0.0002354400000000, -0.0002436900000000, -0.0000157300000000 ] - [ -0.0003725300000000, 0.0004644700000000, -0.0013813500000000 ] - [ -0.0000534000000000, -0.0001746300000000, 0.0000802500000000 ] - [ -0.0003188000000000, -0.0003082200000000, -0.0000846200000000 ] - [ 0.0006021800000000, -0.0006941300000000, 0.0000294000000000 ] - [ 0.0000325700000000, -0.0001593700000000, -0.0002672000000000 ] - [ 0.0000103600000000, -0.0001143700000000, -0.0004232100000000 ] - [ 0.0005489000000000, -0.0007517500000000, -0.0002464900000000 ] - [ -0.0002685200000000, -0.0002897400000000, 0.0000460300000000 ] - [ 0.0001024900000000, 0.0001476000000000, -0.0004716800000000 ] - [ 0.0000538600000000, -0.0001027700000000, 0.0001212900000000 ] - [ 0.0000260700000000, -0.0000319800000000, 0.0000682000000000 ] - [ -0.0003011900000000, -0.0012483900000000, -0.0004051800000000 ] - [ -0.0000912100000000, 0.0000223200000000, -0.0001079500000000 ] - [ -0.0000436100000000, 0.0000329500000000, -0.0001098700000000 ] - [ -0.0007401800000000, -0.0054347900000000, 0.0025946500000000 ] - [ 0.0000881400000000, 0.0000113300000000, 0.0000768200000000 ] - [ 0.0000445500000000, -0.0000097900000000, -0.0001376700000000 ] - [ -0.0000168600000000, -0.0002496200000000, -0.0003951200000000 ] - [ 0.0004892400000000, 0.0010215000000000, -0.0004972700000000 ] - [ 0.0005370200000000, -0.0000616800000000, -0.0000509100000000 ] - [ 0.0005401100000000, -0.0000250000000000, -0.0002879700000000 ] - [ 0.0004948300000000, 0.0000699400000000, -0.0001579100000000 ] - [ -0.0003969700000000, -0.0000776400000000, 0.0001077300000000 ] - [ -0.0007495800000000, 0.0006798000000000, -0.0001108200000000 ] - [ -0.0007495200000000, -0.0001985000000000, -0.0003172000000000 ] - [ 0.0001390600000000, -0.0002814100000000, -0.0005681100000000 ] - [ 0.0001110500000000, -0.0002008000000000, 0.0007631300000000 ] - [ 0.0006226500000000, 0.0005583300000000, 0.0003919800000000 ] - [ -0.0002141900000000, 0.0001036000000000, -0.0000400400000000 ] - [ -0.0002069900000000, 0.0000962900000000, 0.0000101700000000 ] - [ 0.0004226000000000, 0.0003480100000000, -0.0001155400000000 ] - [ 0.0001549800000000, 0.0002110000000000, 0.0001723000000000 ] - [ 0.0002129000000000, 0.0000846800000000, -0.0002875000000000 ] - [ 0.0002553000000000, 0.0000485200000000, -0.0002290200000000 ] - [ 0.0028920100000000, 0.0027639700000000, -0.0003793600000000 ] - [ -0.0003454500000000, -0.0002481700000000, 0.0002384500000000 ] - [ -0.0002340500000000, -0.0002852200000000, -0.0000289000000000 ] - [ -0.0001621100000000, -0.0001625700000000, 0.0001025700000000 ] - [ 0.0003010800000000, -0.0001568200000000, -0.0000741500000000 ] - [ 0.0002039100000000, -0.0000155100000000, 0.0001702900000000 ] - [ 0.0000662900000000, -0.0001419300000000, -0.0001964200000000 ] - [ 0.0004150100000000, -0.0001668700000000, -0.0002395700000000 ] - [ 0.0004941800000000, 0.0001544200000000, 0.0002963100000000 ] - [ 0.0006334100000000, 0.0007828700000000, -0.0000834400000000 ] - [ 0.0003033900000000, 0.0001512600000000, 0.0003138700000000 ] - [ 0.0003804200000000, -0.0000317300000000, -0.0000436400000000 ] - [ -0.0002328600000000, 0.0001627800000000, -0.0003148200000000 ] - [ -0.0003392200000000, 0.0002032500000000, -0.0001415400000000 ] - [ -0.0002395200000000, -0.0002888200000000, -0.0004171700000000 ] - [ -0.0004848800000000, 0.0001822300000000, -0.0002750000000000 ] - [ -0.0000174200000000, 0.0000895400000000, -0.0001673100000000 ] - [ -0.0004572600000000, 0.0003048900000000, -0.0005714600000000 ] - [ 0.0000613700000000, 0.0000670000000000, 0.0002394900000000 ] - [ -0.0000795600000000, 0.0000967500000000, 0.0002292000000000 ] - [ 0.0067801300000000, -0.0004530100000000, -0.0072074400000000 ] - [ -0.0001246000000000, 0.0001588100000000, -0.0002747300000000 ] - [ -0.0003401700000000, 0.0001034500000000, 0.0003960900000000 ] - [ 0.0000148100000000, 0.0000988700000000, 0.0001177900000000 ] - [ 0.0006158200000000, -0.0003554800000000, -0.0008128000000000 ] - [ -0.0005212100000000, -0.0001270200000000, -0.0001710000000000 ] - [ -0.0003624200000000, -0.0001374700000000, 0.0002157200000000 ] - [ -0.0003365900000000, -0.0001614200000000, 0.0002476500000000 ] - [ 0.0001177100000000, -0.0000671300000000, -0.0000574700000000 ] - [ -0.0017006900000000, -0.0003737600000000, -0.0039639000000000 ] - [ 0.0008544600000000, -0.0001636300000000, 0.0003872600000000 ] - [ 0.0002478200000000, -0.0001923600000000, 0.0001683800000000 ] - [ -0.0000886200000000, 0.0000831100000000, 0.0003270100000000 ] - [ 0.0001827300000000, 0.0000288700000000, 0.0001817100000000 ] - [ 0.0004474100000000, 0.0000926000000000, 0.0006547200000000 ] - [ -0.0000062300000000, 0.0001908400000000, 0.0004735900000000 ] - [ 0.0004105100000000, -0.0001734400000000, -0.0021522000000000 ] - [ -0.0004420600000000, 0.0002601300000000, -0.0004112000000000 ] - [ -0.0001823600000000, 0.0002851900000000, -0.0001492700000000 ] - [ 0.0000719300000000, 0.0003696700000000, -0.0000417300000000 ] - [ -0.0001240000000000, 0.0001544800000000, -0.0002948700000000 ] - [ -0.0000756800000000, -0.0000845000000000, -0.0003826900000000 ] - [ -0.0003673500000000, -0.0001114400000000, -0.0000034000000000 ] - [ -0.0001081400000000, 0.0000307600000000, -0.0002144000000000 ] - [ 0.0001184500000000, -0.0000462500000000, 0.0001513900000000 ] - [ 0.0009739200000000, -0.0011530600000000, -0.0018075000000000 ] - [ 0.0001723200000000, 0.0001343500000000, 0.0003577100000000 ] - [ 0.0000145800000000, -0.0000386000000000, 0.0006167500000000 ]- atom: 53 displacement: [ 0.0099999730884809, 0.0000000000000000, -0.0000231997770880 ] forces: - [ -0.0000551100000000, 0.0007041800000000, -0.0004936700000000 ] - [ -0.0006158600000000, -0.0007388400000000, 0.0002395400000000 ] - [ -0.0005210800000000, -0.0000913400000000, -0.0001965900000000 ] - [ -0.0001677100000000, -0.0000489800000000, -0.0000902800000000 ] - [ -0.0000103000000000, 0.0000303700000000, -0.0001608600000000 ] - [ 0.0001208100000000, 0.0000084500000000, -0.0001944300000000 ] - [ -0.0001624900000000, 0.0001271900000000, -0.0004701100000000 ] - [ 0.0003532700000000, -0.0001028300000000, 0.0001504600000000 ] - [ 0.0090723000000000, -0.0038475200000000, 0.0022142700000000 ] - [ -0.0004284700000000, 0.0000465500000000, 0.0001752100000000 ] - [ -0.0000700200000000, 0.0000257700000000, 0.0002557800000000 ] - [ -0.0000420500000000, -0.0000290000000000, 0.0001258700000000 ] - [ 0.0004283000000000, -0.0001962700000000, 0.0004453800000000 ] - [ 0.0002743200000000, -0.0000963100000000, -0.0000410100000000 ] - [ 0.0007436800000000, -0.0006827800000000, 0.0013720700000000 ] - [ -0.0003097200000000, -0.0001988700000000, 0.0005240300000000 ] - [ 0.0005764100000000, -0.0003677100000000, -0.0000213300000000 ] - [ 0.0001797700000000, -0.0002226500000000, 0.0001429100000000 ] - [ -0.0004410000000000, -0.0002731000000000, 0.0005421100000000 ] - [ -0.0012230700000000, -0.0001979000000000, -0.0011096800000000 ] - [ -0.0008911900000000, -0.0000563000000000, 0.0000794100000000 ] - [ -0.0008225200000000, -0.0002603100000000, -0.0000922000000000 ] - [ -0.0004953600000000, -0.0001971100000000, 0.0000984700000000 ] - [ -0.0003633800000000, -0.0002227600000000, -0.0002409900000000 ] - [ 0.0002745500000000, -0.0003738400000000, 0.0004048600000000 ] - [ 0.0000117400000000, 0.0001072500000000, 0.0002614800000000 ] - [ 0.0004497400000000, -0.0002700400000000, 0.0002656200000000 ] - [ 0.0001381800000000, -0.0001198500000000, 0.0003660900000000 ] - [ -0.0002766300000000, -0.0003887200000000, -0.0005645800000000 ] - [ -0.0004092900000000, 0.0002049300000000, -0.0001048000000000 ] - [ -0.0006153400000000, -0.0001428900000000, -0.0004587500000000 ] - [ 0.0001915200000000, -0.0001314800000000, -0.0002348300000000 ] - [ -0.0002677000000000, -0.0001333100000000, -0.0003500400000000 ] - [ -0.0000637700000000, 0.0001781300000000, -0.0000288700000000 ] - [ -0.0000113700000000, 0.0005016800000000, -0.0008461500000000 ] - [ 0.0012907800000000, -0.0002638700000000, 0.0005992400000000 ] - [ -0.0000405200000000, 0.0000538400000000, 0.0002509700000000 ] - [ 0.0004384800000000, 0.0002813300000000, 0.0000006300000000 ] - [ 0.0001766400000000, 0.0001874100000000, 0.0000549200000000 ] - [ 0.0000719600000000, 0.0002663000000000, 0.0001922100000000 ] - [ 0.0001068200000000, 0.0001464100000000, -0.0000413800000000 ] - [ 0.0003413000000000, 0.0002754600000000, -0.0000509100000000 ] - [ 0.0002545000000000, 0.0001936500000000, -0.0000556300000000 ] - [ -0.0000317500000000, 0.0002205900000000, 0.0000526400000000 ] - [ -0.0002791700000000, 0.0002661700000000, -0.0000314200000000 ] - [ 0.0000328700000000, 0.0002382100000000, 0.0000170900000000 ] - [ 0.0004066000000000, 0.0014198100000000, -0.0011709100000000 ] - [ -0.0000504000000000, 0.0001928700000000, -0.0000950600000000 ] - [ 0.0001141600000000, 0.0001494400000000, 0.0000578200000000 ] - [ 0.0000887200000000, 0.0001504100000000, -0.0000730800000000 ] - [ 0.0002229300000000, 0.0000943200000000, 0.0000847300000000 ] - [ -0.0000640100000000, 0.0001927000000000, -0.0001082100000000 ] - [ -0.0334799000000000, 0.0099041200000000, -0.0028857800000000 ] - [ 0.0003695100000000, -0.0001976900000000, -0.0001075900000000 ] - [ 0.0001257400000000, -0.0002155600000000, -0.0001684600000000 ] - [ 0.0000946300000000, -0.0001755600000000, 0.0000060100000000 ] - [ 0.0003075400000000, 0.0005729400000000, -0.0003673400000000 ] - [ 0.0005026300000000, -0.0002182900000000, 0.0004386700000000 ] - [ -0.0007307900000000, 0.0002226200000000, -0.0000394800000000 ] - [ 0.0000607600000000, 0.0001992500000000, 0.0000098800000000 ] - [ -0.0001184900000000, -0.0002407900000000, 0.0001189200000000 ] - [ -0.0001097800000000, -0.0001860800000000, 0.0000864000000000 ] - [ -0.0000556200000000, -0.0002024100000000, 0.0001488800000000 ] - [ -0.0002045500000000, -0.0002603000000000, -0.0000064900000000 ] - [ -0.0019682200000000, -0.0003580400000000, -0.0005758200000000 ] - [ 0.0001913600000000, -0.0000973500000000, -0.0001926500000000 ] - [ 0.0000026000000000, -0.0000649700000000, -0.0002597400000000 ] - [ -0.0000321800000000, -0.0001272600000000, -0.0000543800000000 ] - [ 0.0000461300000000, -0.0001186000000000, 0.0001819300000000 ] - [ -0.0000029000000000, -0.0000943200000000, 0.0000991200000000 ] - [ 0.0005198900000000, -0.0006468400000000, 0.0001477300000000 ] - [ 0.0005203500000000, 0.0006141600000000, 0.0000442700000000 ] - [ -0.0000819200000000, 0.0000876500000000, -0.0001214500000000 ] - [ 0.0000415000000000, -0.0000713400000000, 0.0000909400000000 ] - [ -0.0006474500000000, -0.0000473200000000, -0.0001912900000000 ] - [ 0.0000762600000000, -0.0000495400000000, -0.0000003300000000 ] - [ 0.0003582000000000, 0.0003516200000000, 0.0000567400000000 ] - [ 0.0002934800000000, -0.0005694600000000, -0.0000817100000000 ] - [ 0.0002465000000000, -0.0000222200000000, 0.0000918200000000 ] - [ -0.0001115900000000, -0.0000159300000000, -0.0000176800000000 ] - [ 0.0017650300000000, -0.0009583200000000, 0.0003245400000000 ] - [ 0.0011728900000000, 0.0004607100000000, -0.0004268800000000 ] - [ 0.0005172100000000, -0.0000547500000000, -0.0000626200000000 ] - [ 0.0004374000000000, -0.0000789700000000, -0.0000756100000000 ] - [ -0.0004703900000000, -0.0001009800000000, -0.0000497600000000 ] - [ -0.0004479800000000, -0.0000478100000000, 0.0001701500000000 ] - [ -0.0007230900000000, 0.0001699100000000, 0.0000714400000000 ] - [ -0.0003196600000000, -0.0001018500000000, 0.0000204800000000 ] - [ -0.0002158300000000, -0.0008079500000000, 0.0004980400000000 ] - [ -0.0001043000000000, 0.0001153600000000, 0.0001144400000000 ] - [ -0.0002302200000000, 0.0000743400000000, 0.0000703800000000 ] - [ -0.0002426100000000, 0.0000485300000000, 0.0002371500000000 ] - [ -0.0001831500000000, 0.0002104600000000, 0.0000214700000000 ] - [ 0.0003201400000000, 0.0000745500000000, -0.0001704300000000 ] - [ 0.0007410500000000, 0.0004003000000000, -0.0006163600000000 ] - [ 0.0005541200000000, -0.0001900000000000, 0.0001556500000000 ] - [ -0.0003450500000000, 0.0000697400000000, 0.0002323500000000 ] - [ -0.0000751000000000, -0.0002212400000000, 0.0000575800000000 ] - [ 0.0004521800000000, -0.0001024000000000, 0.0000106700000000 ] - [ -0.0005617800000000, -0.0002006900000000, 0.0000943400000000 ] - [ 0.0000906500000000, 0.0001398100000000, -0.0004787500000000 ] - [ 0.0005362500000000, -0.0002765300000000, -0.0001004300000000 ] - [ 0.0001396800000000, -0.0004178400000000, -0.0006419400000000 ] - [ 0.0003655900000000, -0.0001778500000000, -0.0001315300000000 ] - [ 0.0000781000000000, 0.0005855300000000, 0.0002460200000000 ] - [ 0.0007748500000000, 0.0001426100000000, 0.0003318200000000 ] - [ 0.0004272400000000, 0.0001639300000000, 0.0002840400000000 ] - [ 0.0004184200000000, 0.0001735900000000, 0.0003242600000000 ] - [ -0.0005087900000000, 0.0001984200000000, -0.0002353400000000 ] - [ -0.0003517300000000, 0.0001545500000000, -0.0003179000000000 ] - [ -0.0000487100000000, 0.0002022500000000, -0.0002599500000000 ] - [ 0.0028825800000000, -0.0057535500000000, 0.0027207100000000 ] - [ 0.0045834100000000, -0.0024545300000000, -0.0026154200000000 ] - [ -0.0003558500000000, -0.0000184500000000, -0.0000498500000000 ] - [ 0.0001289000000000, 0.0000880200000000, 0.0002338600000000 ] - [ -0.0000751400000000, -0.0000210600000000, -0.0002318000000000 ] - [ -0.0000633100000000, 0.0000432700000000, -0.0002504700000000 ] - [ -0.0000925100000000, 0.0001145000000000, 0.0000626100000000 ] - [ -0.0002761800000000, 0.0002148700000000, 0.0001033700000000 ] - [ 0.0002702700000000, 0.0000686600000000, -0.0001232500000000 ] - [ 0.0022274200000000, 0.0014471500000000, 0.0013374200000000 ] - [ -0.0007097100000000, -0.0000329900000000, 0.0000926000000000 ] - [ -0.0005690900000000, -0.0001700500000000, 0.0001246900000000 ] - [ -0.0001562600000000, -0.0001085000000000, -0.0001859100000000 ] - [ 0.0006024300000000, -0.0001227800000000, -0.0000689800000000 ] - [ 0.0002467800000000, -0.0000783200000000, -0.0000203900000000 ] - [ 0.0004952800000000, -0.0001018900000000, 0.0000803100000000 ] - [ 0.0002249300000000, 0.0000338800000000, -0.0000388000000000 ] - [ 0.0002008900000000, 0.0002042500000000, 0.0004816300000000 ] - [ -0.0000198900000000, 0.0002208100000000, 0.0002687400000000 ] - [ 0.0064150200000000, -0.0003916300000000, -0.0048827100000000 ] - [ -0.0003100400000000, 0.0001612900000000, 0.0003126300000000 ] - [ -0.0000368600000000, 0.0001012200000000, -0.0004696700000000 ] - [ -0.0002964900000000, 0.0002559200000000, -0.0002877600000000 ] - [ -0.0001442000000000, 0.0002391500000000, -0.0003932300000000 ] - [ -0.0000385300000000, 0.0002000600000000, -0.0004284700000000 ] - [ -0.0000360800000000, -0.0000231200000000, -0.0004270300000000 ] - [ -0.0002276800000000, 0.0000085300000000, -0.0001518600000000 ] - [ -0.0006163200000000, 0.0000052400000000, -0.0001321400000000 ] - [ 0.0070235400000000, 0.0007267100000000, 0.0056884800000000 ] - [ 0.0007847700000000, 0.0008223100000000, 0.0007065700000000 ] - [ -0.0001489800000000, 0.0000016900000000, 0.0002803700000000 ] - [ 0.0001376600000000, -0.0000214200000000, 0.0004157900000000 ] - [ 0.0001420200000000, 0.0001119900000000, 0.0000515000000000 ]- atom: 53 displacement: [ -0.0099999730884809, 0.0000000000000000, 0.0000231997770880 ] forces: - [ -0.0007252800000000, -0.0008922000000000, 0.0001951800000000 ] - [ -0.0001716700000000, 0.0005516700000000, -0.0005385800000000 ] - [ -0.0002659300000000, -0.0000988500000000, -0.0001020100000000 ] - [ -0.0006210900000000, -0.0001420500000000, -0.0002091600000000 ] - [ 0.0001721400000000, -0.0000173500000000, -0.0002088900000000 ] - [ 0.0000413400000000, 0.0000049100000000, -0.0001767900000000 ] - [ 0.0003255900000000, -0.0001124900000000, 0.0000982800000000 ] - [ -0.0001941100000000, 0.0001177100000000, -0.0005245800000000 ] - [ -0.0091886300000000, 0.0037210800000000, -0.0017851100000000 ] - [ 0.0002671200000000, -0.0000349600000000, 0.0001955800000000 ] - [ -0.0000927600000000, -0.0000150700000000, 0.0001154700000000 ] - [ -0.0001190100000000, 0.0000396400000000, 0.0002456300000000 ] - [ 0.0003602500000000, 0.0000062500000000, -0.0001473200000000 ] - [ 0.0005127700000000, -0.0000925700000000, 0.0003385400000000 ] - [ 0.0000593600000000, 0.0005075200000000, -0.0010952000000000 ] - [ 0.0011001800000000, 0.0000120800000000, -0.0002267000000000 ] - [ 0.0000738500000000, -0.0000672100000000, 0.0001589400000000 ] - [ 0.0004731000000000, -0.0002101800000000, -0.0000012200000000 ] - [ 0.0010996200000000, -0.0001608200000000, -0.0003954300000000 ] - [ 0.0018836000000000, -0.0002379000000000, 0.0012647200000000 ] - [ 0.0002363800000000, -0.0003476100000000, -0.0002386200000000 ] - [ 0.0001688900000000, -0.0001774100000000, -0.0000492900000000 ] - [ -0.0001574000000000, -0.0002396100000000, -0.0002397900000000 ] - [ -0.0002881400000000, -0.0002163100000000, 0.0001001700000000 ] - [ 0.0001350200000000, 0.0000736000000000, 0.0002534500000000 ] - [ 0.0004008700000000, -0.0004078700000000, 0.0003986500000000 ] - [ -0.0000343400000000, -0.0000326400000000, 0.0003939300000000 ] - [ 0.0002746000000000, -0.0001834200000000, 0.0002939700000000 ] - [ -0.0001385400000000, 0.0000832000000000, -0.0000971000000000 ] - [ -0.0000024500000000, -0.0005085100000000, -0.0005548500000000 ] - [ 0.0002041800000000, -0.0001594800000000, -0.0002023500000000 ] - [ -0.0006072400000000, -0.0001723600000000, -0.0004286200000000 ] - [ 0.0000366200000000, 0.0005121800000000, 0.0001963100000000 ] - [ -0.0001663600000000, 0.0001980300000000, -0.0001282900000000 ] - [ -0.0002351800000000, -0.0001288200000000, 0.0006914900000000 ] - [ -0.0015300300000000, 0.0006449300000000, -0.0007615500000000 ] - [ 0.0002698100000000, 0.0003267300000000, -0.0000977300000000 ] - [ -0.0002071700000000, 0.0000951600000000, 0.0001575500000000 ] - [ 0.0000541500000000, 0.0001893300000000, 0.0001026800000000 ] - [ 0.0001587800000000, 0.0001094700000000, -0.0000347800000000 ] - [ 0.0000843500000000, 0.0003082900000000, 0.0000651900000000 ] - [ -0.0001497200000000, 0.0001717700000000, 0.0000754600000000 ] - [ -0.0000633100000000, 0.0002538700000000, 0.0000802400000000 ] - [ 0.0002245900000000, 0.0002274100000000, -0.0000275300000000 ] - [ 0.0000864700000000, 0.0001813800000000, 0.0000074800000000 ] - [ -0.0002234500000000, 0.0002099000000000, -0.0000420400000000 ] - [ -0.0005821800000000, -0.0009703100000000, 0.0011395000000000 ] - [ -0.0001381300000000, 0.0002553400000000, 0.0000696200000000 ] - [ 0.0000553900000000, 0.0001895100000000, -0.0000849800000000 ] - [ 0.0000811600000000, 0.0001867600000000, 0.0000461700000000 ] - [ -0.0000531000000000, 0.0002442700000000, -0.0001114900000000 ] - [ 0.0002348400000000, 0.0001456300000000, 0.0000838000000000 ] - [ 0.0337236400000000, -0.0102558900000000, 0.0029098800000000 ] - [ -0.0001254800000000, -0.0001981400000000, -0.0000635900000000 ] - [ 0.0001179400000000, -0.0001810900000000, -0.0000021500000000 ] - [ 0.0001496600000000, -0.0002208800000000, -0.0001761800000000 ] - [ -0.0004809400000000, -0.0002365000000000, 0.0003949000000000 ] - [ -0.0006700500000000, 0.0005544300000000, -0.0004104300000000 ] - [ 0.0005589000000000, 0.0001159300000000, 0.0000726600000000 ] - [ -0.0002311700000000, 0.0001389900000000, 0.0000163700000000 ] - [ -0.0001257400000000, -0.0001547900000000, 0.0000526300000000 ] - [ -0.0001340400000000, -0.0002104300000000, 0.0000846500000000 ] - [ -0.0001897200000000, -0.0001948700000000, 0.0000215200000000 ] - [ -0.0000372500000000, -0.0001368500000000, 0.0001783900000000 ] - [ 0.0019740000000000, 0.0000963900000000, 0.0002727600000000 ] - [ -0.0001823200000000, -0.0001210300000000, -0.0001023900000000 ] - [ 0.0000065600000000, -0.0001519800000000, -0.0000325400000000 ] - [ 0.0000411800000000, -0.0000916800000000, -0.0002402100000000 ] - [ -0.0000552400000000, -0.0000990800000000, 0.0001125400000000 ] - [ -0.0000066900000000, -0.0001242200000000, 0.0001955400000000 ] - [ -0.0005284200000000, 0.0004269400000000, 0.0001476300000000 ] - [ -0.0005322600000000, -0.0008356300000000, 0.0002525600000000 ] - [ 0.0000172100000000, -0.0001339600000000, 0.0000956500000000 ] - [ -0.0001074400000000, 0.0000252900000000, -0.0001160100000000 ] - [ 0.0005806300000000, 0.0000039900000000, 0.0001700800000000 ] - [ -0.0001421000000000, 0.0000039000000000, -0.0000256300000000 ] - [ -0.0002893500000000, -0.0003957000000000, -0.0000308000000000 ] - [ -0.0002276200000000, 0.0005265200000000, 0.0001065700000000 ] - [ -0.0001795100000000, -0.0000233500000000, -0.0000656400000000 ] - [ 0.0001799000000000, -0.0000298500000000, 0.0000451300000000 ] - [ -0.0008044200000000, 0.0008252000000000, -0.0004581400000000 ] - [ -0.0002247000000000, -0.0005898000000000, 0.0002920600000000 ] - [ 0.0004336800000000, -0.0000726500000000, -0.0000732900000000 ] - [ 0.0005137700000000, -0.0000483000000000, -0.0000600900000000 ] - [ -0.0004805500000000, -0.0000257500000000, 0.0001859900000000 ] - [ -0.0005023500000000, -0.0000795400000000, -0.0000335500000000 ] - [ -0.0002303200000000, -0.0003026200000000, 0.0000680600000000 ] - [ -0.0006310700000000, -0.0000252300000000, 0.0001155100000000 ] - [ -0.0002295800000000, 0.0009488900000000, -0.0002057000000000 ] - [ -0.0003408100000000, 0.0000467200000000, 0.0001702400000000 ] - [ -0.0002154800000000, 0.0000864800000000, 0.0002148400000000 ] - [ -0.0002022300000000, 0.0001136700000000, 0.0000474600000000 ] - [ 0.0006268900000000, -0.0000484200000000, -0.0003071100000000 ] - [ 0.0001252100000000, 0.0000883200000000, -0.0001120500000000 ] - [ -0.0002950900000000, -0.0002346300000000, 0.0003334300000000 ] - [ -0.0001067700000000, 0.0003541100000000, -0.0004339100000000 ] - [ -0.0001765700000000, -0.0004627500000000, 0.0000363900000000 ] - [ -0.0004482900000000, -0.0001721400000000, 0.0002096000000000 ] - [ -0.0009792100000000, -0.0002916700000000, 0.0002565300000000 ] - [ 0.0000380800000000, -0.0001927000000000, 0.0001751300000000 ] - [ 0.0004350800000000, -0.0005299300000000, 0.0002074600000000 ] - [ -0.0000103000000000, -0.0001175800000000, -0.0001674200000000 ] - [ 0.0003842400000000, 0.0000224100000000, 0.0003699300000000 ] - [ 0.0001591100000000, -0.0002155300000000, -0.0001367000000000 ] - [ 0.0007336000000000, -0.0002493000000000, 0.0003332100000000 ] - [ 0.0000353200000000, 0.0001890400000000, 0.0002476800000000 ] - [ 0.0003831800000000, 0.0001680800000000, 0.0002956800000000 ] - [ 0.0003912100000000, 0.0001586000000000, 0.0002554600000000 ] - [ -0.0003020400000000, 0.0001340500000000, -0.0003433600000000 ] - [ -0.0004585600000000, 0.0001777700000000, -0.0002616300000000 ] - [ -0.0007620900000000, 0.0001302400000000, -0.0003195800000000 ] - [ -0.0037253100000000, 0.0061376600000000, -0.0033377000000000 ] - [ -0.0046465500000000, 0.0027761700000000, 0.0027831100000000 ] - [ 0.0003986800000000, 0.0002488800000000, 0.0000731700000000 ] - [ -0.0000828400000000, 0.0001417400000000, -0.0002110400000000 ] - [ 0.0001198200000000, 0.0002523000000000, 0.0002561100000000 ] - [ 0.0000155600000000, 0.0001860600000000, 0.0002221500000000 ] - [ 0.0000480600000000, 0.0001167700000000, -0.0000864100000000 ] - [ 0.0002319200000000, 0.0000170200000000, -0.0001265400000000 ] - [ -0.0003178500000000, 0.0001642200000000, 0.0000994000000000 ] - [ -0.0028921000000000, -0.0016106800000000, -0.0012554700000000 ] - [ -0.0000465500000000, -0.0001945700000000, -0.0001230400000000 ] - [ -0.0001875100000000, -0.0000573100000000, -0.0001548000000000 ] - [ -0.0006019800000000, -0.0001185500000000, 0.0001546900000000 ] - [ 0.0001581500000000, -0.0001063700000000, 0.0000962300000000 ] - [ 0.0005098400000000, -0.0001481300000000, 0.0000503500000000 ] - [ 0.0002644300000000, -0.0001208900000000, -0.0000498500000000 ] - [ 0.0005317800000000, -0.0002609000000000, 0.0000691400000000 ] - [ -0.0000171500000000, 0.0001914800000000, 0.0002780800000000 ] - [ 0.0002033900000000, 0.0001745800000000, 0.0004900300000000 ] - [ -0.0060710800000000, 0.0007343400000000, 0.0054336400000000 ] - [ 0.0004954100000000, 0.0002333000000000, 0.0004478300000000 ] - [ -0.0001439900000000, 0.0002990500000000, -0.0002861300000000 ] - [ 0.0001117800000000, 0.0001393200000000, -0.0004725600000000 ] - [ -0.0000393700000000, 0.0001564900000000, -0.0003672300000000 ] - [ -0.0001465600000000, 0.0001955500000000, -0.0003325900000000 ] - [ -0.0002037700000000, 0.0000627400000000, -0.0001240800000000 ] - [ -0.0000124300000000, 0.0000319300000000, -0.0003991700000000 ] - [ 0.0003739400000000, 0.0000343100000000, -0.0004177500000000 ] - [ -0.0074552100000000, -0.0007510700000000, -0.0064833600000000 ] - [ -0.0005463400000000, -0.0007776200000000, -0.0001531300000000 ] - [ 0.0003892400000000, 0.0000386200000000, 0.0002704400000000 ] - [ 0.0001035000000000, 0.0000620000000000, 0.0001328900000000 ] - [ 0.0000980500000000, -0.0000715500000000, 0.0004995200000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008099200000000, -0.0002801400000000, -0.0000614800000000 ] - [ -0.0005439000000000, -0.0002929300000000, -0.0001194500000000 ] - [ -0.0003865100000000, -0.0001041100000000, -0.0000860600000000 ] - [ -0.0005100000000000, -0.0002750800000000, -0.0004200400000000 ] - [ 0.0000468000000000, -0.0000470000000000, -0.0001665300000000 ] - [ 0.0001165300000000, -0.0000344700000000, -0.0002239000000000 ] - [ 0.0003450300000000, -0.0001907400000000, -0.0001684800000000 ] - [ -0.0005898000000000, -0.0002166600000000, -0.0001901400000000 ] - [ -0.0030030000000000, 0.0576648800000000, -0.0206284800000000 ] - [ -0.0001434500000000, 0.0000315400000000, 0.0001861900000000 ] - [ 0.0000620800000000, 0.0000768000000000, 0.0001811800000000 ] - [ -0.0001606500000000, 0.0000423800000000, 0.0001139500000000 ] - [ 0.0003814400000000, -0.0000477900000000, 0.0000807500000000 ] - [ 0.0004169800000000, -0.0000682800000000, 0.0000484000000000 ] - [ -0.0002672500000000, -0.0009826700000000, 0.0014034800000000 ] - [ 0.0006717600000000, -0.0000303100000000, -0.0001254900000000 ] - [ 0.0003098900000000, -0.0001825200000000, 0.0000622600000000 ] - [ 0.0003774300000000, -0.0001552200000000, 0.0000981400000000 ] - [ -0.0005547000000000, 0.0004615700000000, -0.0002469000000000 ] - [ 0.0014355200000000, 0.0001174000000000, 0.0010687700000000 ] - [ -0.0007566600000000, -0.0044193200000000, 0.0014387300000000 ] - [ -0.0002995100000000, -0.0002597300000000, -0.0000318800000000 ] - [ -0.0001354400000000, -0.0003349700000000, -0.0001364100000000 ] - [ -0.0004637200000000, -0.0002939200000000, -0.0000311000000000 ] - [ -0.0003778700000000, 0.0000541400000000, 0.0004257000000000 ] - [ 0.0004272200000000, -0.0000445800000000, 0.0004479800000000 ] - [ 0.0004548600000000, 0.0003723300000000, -0.0002065900000000 ] - [ 0.0001536200000000, -0.0001317500000000, 0.0003296700000000 ] - [ -0.0003465200000000, -0.0003107400000000, -0.0001012200000000 ] - [ -0.0000433700000000, -0.0002702100000000, -0.0003256300000000 ] - [ -0.0001984700000000, -0.0001821700000000, -0.0002958600000000 ] - [ 0.0000446800000000, -0.0000621900000000, -0.0000124100000000 ] - [ -0.0000434200000000, 0.0001616300000000, -0.0003365800000000 ] - [ -0.0001337400000000, 0.0001695800000000, -0.0000520300000000 ] - [ 0.0011136900000000, 0.0007791300000000, -0.0006644900000000 ] - [ -0.0009503700000000, 0.0003556000000000, -0.0004411800000000 ] - [ -0.0006437800000000, 0.0017344900000000, -0.0007768500000000 ] - [ 0.0001624300000000, 0.0001871900000000, 0.0000916600000000 ] - [ 0.0001615700000000, 0.0001798000000000, 0.0000767400000000 ] - [ 0.0001706200000000, 0.0002796000000000, 0.0002040000000000 ] - [ -0.0009649200000000, 0.0021714000000000, -0.0003805000000000 ] - [ 0.0001361100000000, 0.0002340500000000, -0.0000286500000000 ] - [ 0.0000312900000000, 0.0002397800000000, 0.0000057200000000 ] - [ 0.0001856500000000, 0.0002575900000000, 0.0000418300000000 ] - [ -0.0000364100000000, 0.0001756800000000, 0.0000057800000000 ] - [ -0.0001182300000000, 0.0002138300000000, -0.0000247200000000 ] - [ 0.0000933200000000, 0.0002308400000000, -0.0007925100000000 ] - [ -0.0000153100000000, 0.0002218300000000, 0.0000168200000000 ] - [ 0.0001015800000000, 0.0004538700000000, -0.0000112200000000 ] - [ 0.0000624900000000, 0.0003392100000000, 0.0000139300000000 ] - [ 0.0001442000000000, 0.0004155000000000, -0.0001087600000000 ] - [ 0.0000728300000000, 0.0004542700000000, -0.0001943700000000 ] - [ 0.0104470900000000, -0.0778928400000000, 0.0122755400000000 ] - [ 0.0001227800000000, -0.0002788000000000, -0.0000498600000000 ] - [ 0.0001057700000000, -0.0003100500000000, -0.0000300300000000 ] - [ 0.0001452600000000, -0.0002518600000000, -0.0000862100000000 ] - [ -0.0001032200000000, -0.0000258200000000, 0.0001026200000000 ] - [ 0.0000151800000000, -0.0000606000000000, 0.0000126200000000 ] - [ -0.0001027900000000, -0.0001268700000000, 0.0007501900000000 ] - [ -0.0000712400000000, 0.0000919600000000, 0.0000458100000000 ] - [ -0.0000798400000000, -0.0001379100000000, 0.0000218800000000 ] - [ -0.0001348600000000, -0.0001489900000000, 0.0000753800000000 ] - [ -0.0001173600000000, 0.0000462600000000, 0.0001015800000000 ] - [ -0.0000621200000000, 0.0001265300000000, 0.0000164200000000 ] - [ 0.0008164700000000, 0.0099656100000000, 0.0031444700000000 ] - [ -0.0000142600000000, -0.0001197400000000, -0.0001059800000000 ] - [ -0.0000840000000000, -0.0002815700000000, -0.0003303800000000 ] - [ 0.0000587200000000, -0.0001071600000000, -0.0001074000000000 ] - [ 0.0000669700000000, -0.0000795200000000, 0.0001203100000000 ] - [ -0.0000174800000000, -0.0000936000000000, 0.0001684900000000 ] - [ -0.0002659500000000, 0.0002064800000000, 0.0003013900000000 ] - [ 0.0003687600000000, 0.0003370500000000, 0.0001986700000000 ] - [ 0.0001125600000000, 0.0000006400000000, -0.0001151700000000 ] - [ -0.0001998500000000, -0.0000555400000000, -0.0001143200000000 ] - [ -0.0001552200000000, 0.0007695000000000, 0.0014438500000000 ] - [ -0.0000098100000000, -0.0000076000000000, 0.0000112200000000 ] - [ 0.0000495500000000, -0.0000252700000000, 0.0000228100000000 ] - [ 0.0000647300000000, -0.0001468800000000, -0.0000966700000000 ] - [ -0.0000067500000000, -0.0001309500000000, -0.0001401200000000 ] - [ -0.0000035100000000, -0.0000716600000000, -0.0000889800000000 ] - [ -0.0002524100000000, -0.0001931400000000, -0.0002370700000000 ] - [ 0.0010246300000000, -0.0000591900000000, -0.0002311200000000 ] - [ 0.0004825800000000, -0.0000620200000000, -0.0000866600000000 ] - [ 0.0004885700000000, -0.0000583300000000, 0.0000437700000000 ] - [ -0.0004836000000000, 0.0000194900000000, 0.0000872800000000 ] - [ -0.0004791200000000, -0.0000546300000000, 0.0000609200000000 ] - [ -0.0003427300000000, 0.0003552200000000, -0.0000970300000000 ] - [ -0.0004858500000000, -0.0000065300000000, 0.0001205200000000 ] - [ -0.0002323300000000, 0.0034265500000000, -0.0010188200000000 ] - [ -0.0002403100000000, 0.0001200700000000, 0.0001404100000000 ] - [ -0.0002766600000000, 0.0002567100000000, 0.0001169900000000 ] - [ -0.0001852500000000, 0.0001512100000000, 0.0001431700000000 ] - [ 0.0002843000000000, -0.0001354500000000, -0.0000468000000000 ] - [ 0.0002139200000000, 0.0000341000000000, -0.0001587100000000 ] - [ -0.0000677000000000, -0.0005553200000000, 0.0000869700000000 ] - [ 0.0005960600000000, -0.0006484700000000, -0.0000181400000000 ] - [ -0.0000482600000000, -0.0003199800000000, 0.0000700000000000 ] - [ -0.0003596700000000, -0.0001997700000000, 0.0001660900000000 ] - [ -0.0001925100000000, -0.0001709100000000, 0.0003329000000000 ] - [ -0.0003633100000000, -0.0002120100000000, 0.0001479000000000 ] - [ 0.0006685800000000, 0.0000497500000000, -0.0004871000000000 ] - [ 0.0001493600000000, -0.0001997000000000, -0.0002092100000000 ] - [ 0.0000405300000000, -0.0000370400000000, 0.0001826500000000 ] - [ 0.0002854900000000, -0.0002182400000000, -0.0001097700000000 ] - [ 0.0007412400000000, 0.0009320500000000, 0.0002078100000000 ] - [ 0.0001780800000000, 0.0002406500000000, 0.0003264500000000 ] - [ 0.0004005600000000, 0.0002183100000000, 0.0002601800000000 ] - [ 0.0004449600000000, 0.0002143400000000, 0.0002336300000000 ] - [ -0.0002520100000000, 0.0000960300000000, -0.0003545300000000 ] - [ -0.0004615600000000, 0.0001445800000000, -0.0002868900000000 ] - [ -0.0003143800000000, 0.0000630500000000, -0.0001911100000000 ] - [ -0.0075817100000000, -0.0003167800000000, -0.0012162600000000 ] - [ -0.0035578100000000, 0.0041238100000000, 0.0032703100000000 ] - [ 0.0001466300000000, 0.0003042300000000, 0.0000369700000000 ] - [ 0.0002131100000000, 0.0004394300000000, -0.0000853200000000 ] - [ -0.0000528000000000, 0.0003012500000000, -0.0000160400000000 ] - [ 0.0000637700000000, -0.0002174600000000, 0.0002009100000000 ] - [ 0.0000048300000000, 0.0000129600000000, -0.0000464000000000 ] - [ 0.0000711000000000, -0.0000860800000000, -0.0001699900000000 ] - [ -0.0000532800000000, -0.0003679900000000, -0.0001162600000000 ] - [ 0.0022033200000000, 0.0035008800000000, 0.0029133600000000 ] - [ -0.0003707100000000, 0.0000280000000000, -0.0000069200000000 ] - [ -0.0003719500000000, 0.0000466900000000, -0.0000677200000000 ] - [ -0.0005249800000000, 0.0000577500000000, -0.0001186200000000 ] - [ 0.0002097000000000, -0.0002898900000000, 0.0001224200000000 ] - [ 0.0004128400000000, -0.0002033700000000, 0.0000053800000000 ] - [ 0.0004125700000000, -0.0009138500000000, -0.0001317900000000 ] - [ 0.0002578800000000, -0.0003212800000000, -0.0000847300000000 ] - [ 0.0000667700000000, 0.0003574200000000, 0.0005404100000000 ] - [ 0.0001078900000000, 0.0002735500000000, 0.0004146100000000 ] - [ 0.0012149000000000, 0.0005052400000000, -0.0006426000000000 ] - [ 0.0000036200000000, 0.0002972300000000, 0.0003394100000000 ] - [ -0.0009741400000000, -0.0007661000000000, -0.0001647100000000 ] - [ -0.0000544500000000, 0.0001064500000000, -0.0003687800000000 ] - [ -0.0000894200000000, 0.0000619000000000, -0.0002197300000000 ] - [ -0.0000637900000000, 0.0001255500000000, -0.0002975100000000 ] - [ -0.0001519400000000, 0.0002086800000000, -0.0001321800000000 ] - [ -0.0000743000000000, 0.0001160400000000, -0.0002546200000000 ] - [ 0.0000639400000000, 0.0001196600000000, -0.0004140700000000 ] - [ -0.0013216200000000, 0.0004696100000000, -0.0006421000000000 ] - [ 0.0006700900000000, -0.0008955500000000, 0.0004750800000000 ] - [ 0.0001635400000000, -0.0000782100000000, 0.0002809900000000 ] - [ 0.0001894400000000, -0.0001030700000000, 0.0004625600000000 ] - [ 0.0000576400000000, -0.0001371900000000, 0.0004393600000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016084900000000, 0.0000802100000000, -0.0002343300000000 ] - [ -0.0002448100000000, 0.0000988300000000, -0.0001780300000000 ] - [ -0.0004003800000000, -0.0000881400000000, -0.0002119400000000 ] - [ -0.0002756100000000, 0.0000835200000000, 0.0001235100000000 ] - [ 0.0001151400000000, 0.0000602500000000, -0.0002033800000000 ] - [ 0.0000444100000000, 0.0000469700000000, -0.0001461500000000 ] - [ -0.0001872500000000, 0.0001994900000000, -0.0002002500000000 ] - [ 0.0007576500000000, 0.0002279000000000, -0.0001777500000000 ] - [ 0.0024304400000000, -0.0551887000000000, 0.0199174800000000 ] - [ -0.0000182000000000, -0.0000197300000000, 0.0001835000000000 ] - [ -0.0002233000000000, -0.0000652800000000, 0.0001889300000000 ] - [ 0.0000005700000000, -0.0000310600000000, 0.0002560600000000 ] - [ 0.0004041300000000, -0.0001441800000000, 0.0002178400000000 ] - [ 0.0003694500000000, -0.0001204200000000, 0.0002491100000000 ] - [ 0.0010140900000000, 0.0007814300000000, -0.0010572700000000 ] - [ 0.0001167100000000, -0.0001597800000000, 0.0004231600000000 ] - [ 0.0003450300000000, -0.0002433800000000, 0.0000819500000000 ] - [ 0.0002751300000000, -0.0002791700000000, 0.0000438600000000 ] - [ 0.0012038000000000, -0.0008938900000000, 0.0003821500000000 ] - [ -0.0007809000000000, -0.0005537200000000, -0.0009192100000000 ] - [ 0.0001185200000000, 0.0040557800000000, -0.0015948700000000 ] - [ -0.0003571700000000, -0.0001760700000000, -0.0001119300000000 ] - [ -0.0005165900000000, -0.0001067200000000, -0.0000030800000000 ] - [ -0.0001890800000000, -0.0001455000000000, -0.0001093800000000 ] - [ 0.0007877900000000, -0.0003588600000000, 0.0002316000000000 ] - [ -0.0000182900000000, -0.0002594900000000, 0.0002130200000000 ] - [ -0.0000463400000000, -0.0006833200000000, 0.0008682200000000 ] - [ 0.0002575000000000, -0.0001707300000000, 0.0003305900000000 ] - [ -0.0000593600000000, 0.0000073600000000, -0.0005548800000000 ] - [ -0.0003674100000000, -0.0000338800000000, -0.0003305300000000 ] - [ -0.0002140500000000, -0.0001195300000000, -0.0003640700000000 ] - [ -0.0004528700000000, -0.0002410200000000, -0.0006447800000000 ] - [ -0.0001881100000000, 0.0002120400000000, 0.0001747400000000 ] - [ -0.0000981800000000, 0.0002072500000000, -0.0001057800000000 ] - [ -0.0013279400000000, -0.0004001100000000, 0.0004934300000000 ] - [ 0.0007175800000000, 0.0000216900000000, 0.0002822400000000 ] - [ 0.0008829100000000, -0.0013705100000000, 0.0009463500000000 ] - [ 0.0000695600000000, 0.0001903800000000, 0.0000658700000000 ] - [ 0.0000699500000000, 0.0001969500000000, 0.0000806700000000 ] - [ 0.0000608300000000, 0.0000976000000000, -0.0000461300000000 ] - [ 0.0011834900000000, -0.0017648400000000, 0.0004072500000000 ] - [ 0.0000558600000000, 0.0002143900000000, 0.0000540500000000 ] - [ 0.0001595800000000, 0.0002089200000000, 0.0000193900000000 ] - [ 0.0000053400000000, 0.0001903400000000, -0.0000175800000000 ] - [ -0.0001544600000000, 0.0002716000000000, -0.0000315900000000 ] - [ -0.0000721600000000, 0.0002339200000000, -0.0000002800000000 ] - [ -0.0002784800000000, 0.0002224700000000, 0.0007635800000000 ] - [ -0.0001752600000000, 0.0002267900000000, -0.0000423300000000 ] - [ 0.0000673900000000, -0.0001178700000000, -0.0000135700000000 ] - [ 0.0001072200000000, -0.0000012100000000, -0.0000414500000000 ] - [ 0.0000263200000000, -0.0000759800000000, 0.0000812600000000 ] - [ 0.0000958400000000, -0.0001157600000000, 0.0001654700000000 ] - [ -0.0097788000000000, 0.0748687000000000, -0.0115101600000000 ] - [ 0.0001215800000000, -0.0001172100000000, -0.0001212500000000 ] - [ 0.0001388800000000, -0.0000856500000000, -0.0001423100000000 ] - [ 0.0000985800000000, -0.0001437900000000, -0.0000856200000000 ] - [ -0.0000630500000000, 0.0003662600000000, -0.0000787300000000 ] - [ -0.0001875700000000, 0.0004014200000000, 0.0000126200000000 ] - [ -0.0000667300000000, 0.0004677000000000, -0.0007161600000000 ] - [ -0.0000987400000000, 0.0002454300000000, -0.0000193300000000 ] - [ -0.0001645700000000, -0.0002572300000000, 0.0001495200000000 ] - [ -0.0001091300000000, -0.0002458600000000, 0.0000954700000000 ] - [ -0.0001238800000000, -0.0004401800000000, 0.0000697800000000 ] - [ -0.0001841000000000, -0.0005232400000000, 0.0001550000000000 ] - [ -0.0008103200000000, -0.0099762500000000, -0.0034092000000000 ] - [ 0.0000237400000000, -0.0000994100000000, -0.0001890000000000 ] - [ 0.0000929300000000, 0.0000625200000000, 0.0000352500000000 ] - [ -0.0000498500000000, -0.0001123600000000, -0.0001882100000000 ] - [ -0.0000764300000000, -0.0001396000000000, 0.0001747200000000 ] - [ 0.0000083800000000, -0.0001250000000000, 0.0001258400000000 ] - [ 0.0002536300000000, -0.0004220200000000, -0.0000063700000000 ] - [ -0.0003759500000000, -0.0005539000000000, 0.0000967800000000 ] - [ -0.0001776600000000, -0.0000445600000000, 0.0000886000000000 ] - [ 0.0001350400000000, 0.0000116500000000, 0.0000881100000000 ] - [ 0.0000916000000000, -0.0008140800000000, -0.0014829600000000 ] - [ -0.0000562100000000, -0.0000369900000000, -0.0000375600000000 ] - [ 0.0000150000000000, -0.0000229400000000, 0.0000045500000000 ] - [ 0.0000052900000000, 0.0000994800000000, 0.0001218300000000 ] - [ 0.0000745400000000, 0.0000855300000000, 0.0001660300000000 ] - [ 0.0000701600000000, 0.0000259200000000, 0.0001147200000000 ] - [ 0.0011947100000000, 0.0000756600000000, 0.0000973500000000 ] - [ -0.0000704700000000, -0.0000625300000000, 0.0000934700000000 ] - [ 0.0004682100000000, -0.0000644300000000, -0.0000500300000000 ] - [ 0.0004622300000000, -0.0000673500000000, -0.0001813200000000 ] - [ -0.0004660600000000, -0.0001471100000000, 0.0000483400000000 ] - [ -0.0004713100000000, -0.0000721600000000, 0.0000748600000000 ] - [ -0.0006006500000000, -0.0004572200000000, 0.0002202000000000 ] - [ -0.0004645300000000, -0.0001198700000000, 0.0000159800000000 ] - [ -0.0002159200000000, -0.0033328500000000, 0.0013276100000000 ] - [ -0.0002044600000000, 0.0000422200000000, 0.0001441100000000 ] - [ -0.0001675700000000, -0.0000939600000000, 0.0001665600000000 ] - [ -0.0002600700000000, 0.0000109600000000, 0.0001412900000000 ] - [ 0.0001612500000000, 0.0002946100000000, -0.0002460900000000 ] - [ 0.0002314100000000, 0.0001271700000000, -0.0001254000000000 ] - [ 0.0005123800000000, 0.0007165600000000, -0.0003692200000000 ] - [ -0.0001504300000000, 0.0008100000000000, -0.0002644100000000 ] - [ -0.0004765800000000, -0.0000745500000000, 0.0001931900000000 ] - [ -0.0001646700000000, -0.0001935500000000, 0.0001014900000000 ] - [ -0.0003323700000000, -0.0002234500000000, -0.0000638200000000 ] - [ -0.0001630900000000, -0.0001812200000000, 0.0001193600000000 ] - [ -0.0001396300000000, -0.0004451000000000, 0.0002175400000000 ] - [ 0.0003757200000000, -0.0001929900000000, -0.0000592000000000 ] - [ 0.0004846300000000, -0.0003543000000000, -0.0004473000000000 ] - [ 0.0002396100000000, -0.0001745800000000, -0.0001578100000000 ] - [ 0.0000591600000000, -0.0006071400000000, 0.0003699900000000 ] - [ 0.0006354300000000, 0.0000922000000000, 0.0002529800000000 ] - [ 0.0004101200000000, 0.0001141800000000, 0.0003187100000000 ] - [ 0.0003650300000000, 0.0001184200000000, 0.0003454200000000 ] - [ -0.0005597500000000, 0.0002361400000000, -0.0002254600000000 ] - [ -0.0003486300000000, 0.0001870600000000, -0.0002928900000000 ] - [ -0.0004949100000000, 0.0002686300000000, -0.0003871300000000 ] - [ 0.0067311900000000, 0.0006602300000000, 0.0006118400000000 ] - [ 0.0035475800000000, -0.0038885800000000, -0.0031968200000000 ] - [ -0.0001010600000000, -0.0000713100000000, -0.0000138600000000 ] - [ -0.0001685200000000, -0.0002060400000000, 0.0001084500000000 ] - [ 0.0000970000000000, -0.0000693400000000, 0.0000394200000000 ] - [ -0.0001105000000000, 0.0004504400000000, -0.0002279500000000 ] - [ -0.0000496100000000, 0.0002182600000000, 0.0000234200000000 ] - [ -0.0001152000000000, 0.0003167800000000, 0.0001466900000000 ] - [ 0.0000132500000000, 0.0005988500000000, 0.0000941200000000 ] - [ -0.0029125400000000, -0.0037211100000000, -0.0029049800000000 ] - [ -0.0003881700000000, -0.0002534500000000, -0.0000239200000000 ] - [ -0.0003850700000000, -0.0002726800000000, 0.0000366000000000 ] - [ -0.0002314000000000, -0.0002833300000000, 0.0000869300000000 ] - [ 0.0005500700000000, 0.0000626000000000, -0.0000937900000000 ] - [ 0.0003437800000000, -0.0000233200000000, 0.0000261400000000 ] - [ 0.0003396600000000, 0.0006854200000000, 0.0001650600000000 ] - [ 0.0004985500000000, 0.0000945500000000, 0.0001151400000000 ] - [ 0.0001147400000000, 0.0000362800000000, 0.0002215700000000 ] - [ 0.0000751900000000, 0.0001209700000000, 0.0003459300000000 ] - [ -0.0010512400000000, -0.0001111300000000, 0.0014136000000000 ] - [ 0.0001785400000000, 0.0000976600000000, 0.0004195600000000 ] - [ 0.0007807600000000, 0.0011569700000000, -0.0005922900000000 ] - [ -0.0001286100000000, 0.0002881600000000, -0.0003922700000000 ] - [ -0.0000933700000000, 0.0003329900000000, -0.0005390300000000 ] - [ -0.0001181900000000, 0.0002692100000000, -0.0004620900000000 ] - [ -0.0000860100000000, -0.0001712500000000, -0.0004175300000000 ] - [ -0.0001653500000000, -0.0000758700000000, -0.0002942300000000 ] - [ -0.0003022400000000, -0.0000800900000000, -0.0001373200000000 ] - [ 0.0010999900000000, -0.0004351300000000, 0.0001007100000000 ] - [ -0.0004115300000000, 0.0009249500000000, 0.0000764300000000 ] - [ 0.0000750000000000, 0.0001180000000000, 0.0002688500000000 ] - [ 0.0000496400000000, 0.0001422400000000, 0.0000892100000000 ] - [ 0.0001809700000000, 0.0001770600000000, 0.0001113600000000 ]- atom: 53 displacement: [ -0.0045549923526468, 0.0000000000000000, 0.0089023617466001 ] forces: - [ -0.0012009800000000, -0.0004471600000000, 0.0000849300000000 ] - [ -0.0002011300000000, 0.0002947100000000, -0.0001317200000000 ] - [ -0.0001927600000000, -0.0000914200000000, -0.0002670100000000 ] - [ -0.0007426100000000, -0.0002649300000000, -0.0006225900000000 ] - [ 0.0000363700000000, 0.0000043100000000, -0.0002698900000000 ] - [ 0.0001327800000000, 0.0000135800000000, -0.0002313600000000 ] - [ 0.0000879500000000, -0.0000543100000000, 0.0003212500000000 ] - [ 0.0001925600000000, -0.0000607500000000, -0.0001101500000000 ] - [ -0.0032242200000000, -0.0183861500000000, 0.0158532700000000 ] - [ 0.0001894100000000, -0.0000041000000000, 0.0001634200000000 ] - [ -0.0001209200000000, -0.0000655400000000, 0.0000885400000000 ] - [ -0.0002515500000000, 0.0000182000000000, 0.0001764600000000 ] - [ 0.0006950000000000, -0.0001533200000000, -0.0001461000000000 ] - [ 0.0003637500000000, -0.0000764900000000, 0.0000776200000000 ] - [ 0.0016630900000000, 0.0016786400000000, -0.0023160500000000 ] - [ 0.0005965300000000, -0.0000924300000000, 0.0000896600000000 ] - [ 0.0002710700000000, -0.0008113900000000, -0.0002265200000000 ] - [ 0.0003517000000000, -0.0001979800000000, -0.0000648600000000 ] - [ 0.0012379900000000, -0.0004240300000000, 0.0003926500000000 ] - [ 0.0008254100000000, -0.0001107000000000, 0.0007593100000000 ] - [ 0.0002866500000000, 0.0008080400000000, -0.0010446800000000 ] - [ -0.0001065800000000, -0.0001780900000000, 0.0000083600000000 ] - [ -0.0000056600000000, -0.0002685800000000, -0.0003758600000000 ] - [ -0.0005902900000000, -0.0002489800000000, -0.0000582600000000 ] - [ 0.0008195000000000, 0.0000146700000000, 0.0004151000000000 ] - [ 0.0001571000000000, -0.0000272500000000, 0.0004947200000000 ] - [ 0.0003571300000000, -0.0002385300000000, -0.0000750000000000 ] - [ 0.0001585500000000, -0.0001709000000000, 0.0003002900000000 ] - [ -0.0004331800000000, -0.0002596900000000, -0.0004597600000000 ] - [ -0.0000652900000000, -0.0003761300000000, -0.0007306000000000 ] - [ 0.0001248600000000, -0.0001637300000000, -0.0002428300000000 ] - [ -0.0006366200000000, -0.0001892700000000, -0.0004745600000000 ] - [ -0.0000258000000000, 0.0005919800000000, 0.0002363000000000 ] - [ -0.0000880300000000, 0.0001583100000000, -0.0000224000000000 ] - [ -0.0013950600000000, -0.0003642500000000, 0.0006856900000000 ] - [ -0.0005499400000000, 0.0003593300000000, -0.0004013800000000 ] - [ 0.0007289700000000, -0.0005533300000000, 0.0002227200000000 ] - [ -0.0000407100000000, 0.0000893200000000, -0.0000066400000000 ] - [ -0.0000041300000000, 0.0002351800000000, 0.0001729800000000 ] - [ 0.0002175100000000, 0.0002619800000000, 0.0002217900000000 ] - [ 0.0006461600000000, -0.0006495200000000, 0.0001233800000000 ] - [ -0.0000722600000000, 0.0001771400000000, -0.0000621700000000 ] - [ -0.0001563300000000, 0.0002611300000000, 0.0002164200000000 ] - [ 0.0004107900000000, 0.0002926600000000, 0.0001783800000000 ] - [ -0.0002898900000000, 0.0002948500000000, 0.0001960800000000 ] - [ -0.0000946700000000, 0.0002035100000000, 0.0000632000000000 ] - [ -0.0001434400000000, -0.0006930200000000, 0.0006707600000000 ] - [ -0.0000783000000000, 0.0002433300000000, -0.0000552000000000 ] - [ 0.0001428900000000, 0.0001519400000000, 0.0000440500000000 ] - [ 0.0000487000000000, 0.0002431100000000, 0.0000336600000000 ] - [ -0.0000116800000000, 0.0001342800000000, 0.0000032900000000 ] - [ 0.0002104900000000, 0.0001449800000000, 0.0002318900000000 ] - [ 0.0127268500000000, 0.0057129800000000, -0.0327619100000000 ] - [ -0.0000106300000000, -0.0001660500000000, -0.0001659000000000 ] - [ 0.0000466100000000, -0.0001399600000000, 0.0000877100000000 ] - [ 0.0002160700000000, -0.0002085100000000, 0.0000174000000000 ] - [ -0.0008983900000000, -0.0003742200000000, 0.0006496500000000 ] - [ 0.0002349500000000, -0.0000175200000000, 0.0002192200000000 ] - [ 0.0000561100000000, 0.0000985700000000, 0.0014055500000000 ] - [ -0.0001536000000000, 0.0001820500000000, 0.0000185400000000 ] - [ -0.0000938000000000, -0.0001212900000000, 0.0002488100000000 ] - [ -0.0001266000000000, -0.0001942100000000, 0.0001951800000000 ] - [ -0.0000975900000000, -0.0002109100000000, -0.0002733900000000 ] - [ -0.0001664600000000, -0.0001080500000000, -0.0001106900000000 ] - [ 0.0010518700000000, 0.0055665700000000, -0.0027519000000000 ] - [ -0.0000814900000000, -0.0001241500000000, -0.0001781900000000 ] - [ -0.0001172300000000, -0.0000127600000000, 0.0002203800000000 ] - [ 0.0000912500000000, -0.0001229700000000, -0.0000958400000000 ] - [ -0.0000711300000000, -0.0001294800000000, 0.0002326900000000 ] - [ -0.0000329800000000, -0.0001304700000000, 0.0002489100000000 ] - [ -0.0005751300000000, 0.0005597600000000, -0.0001104400000000 ] - [ 0.0002766600000000, 0.0001741900000000, 0.0000960700000000 ] - [ -0.0001971900000000, -0.0001738600000000, 0.0000866900000000 ] - [ 0.0000322000000000, -0.0000742900000000, 0.0000079800000000 ] - [ 0.0000995000000000, 0.0008290600000000, 0.0009781600000000 ] - [ -0.0000832500000000, -0.0000102800000000, -0.0000263700000000 ] - [ 0.0003502700000000, 0.0001809600000000, -0.0001293500000000 ] - [ -0.0005510100000000, 0.0007310300000000, -0.0000197100000000 ] - [ -0.0000916100000000, 0.0000176500000000, 0.0000581500000000 ] - [ 0.0001465600000000, -0.0000655100000000, 0.0002024300000000 ] - [ 0.0002761600000000, 0.0002054000000000, -0.0007265900000000 ] - [ -0.0000513300000000, -0.0004065000000000, -0.0002847200000000 ] - [ 0.0004171900000000, -0.0000976900000000, 0.0000374800000000 ] - [ 0.0005135800000000, -0.0000680000000000, 0.0000919500000000 ] - [ -0.0005523900000000, -0.0000355200000000, 0.0002391100000000 ] - [ -0.0004421700000000, -0.0000378700000000, 0.0001214500000000 ] - [ -0.0005051900000000, -0.0006708200000000, -0.0000883400000000 ] - [ -0.0005125300000000, -0.0000661000000000, 0.0000223000000000 ] - [ -0.0002483200000000, -0.0000955700000000, 0.0004385400000000 ] - [ -0.0002581600000000, 0.0000848200000000, 0.0001396500000000 ] - [ -0.0002536000000000, 0.0000117100000000, 0.0002827400000000 ] - [ -0.0001688600000000, 0.0001038700000000, 0.0001584800000000 ] - [ 0.0003557000000000, 0.0005364200000000, 0.0006225900000000 ] - [ 0.0001560000000000, 0.0001058100000000, -0.0000927900000000 ] - [ -0.0003713200000000, -0.0002575800000000, 0.0002610600000000 ] - [ 0.0003564900000000, -0.0001424100000000, -0.0001221300000000 ] - [ -0.0001949800000000, 0.0000867700000000, 0.0002047200000000 ] - [ -0.0004950700000000, -0.0001962100000000, 0.0001809900000000 ] - [ -0.0007746000000000, -0.0003406400000000, 0.0001378700000000 ] - [ 0.0000482100000000, -0.0001704800000000, 0.0001944600000000 ] - [ -0.0001214800000000, -0.0007406700000000, 0.0004300600000000 ] - [ 0.0003071000000000, -0.0002005100000000, -0.0001324900000000 ] - [ 0.0000887200000000, 0.0000332800000000, 0.0003827800000000 ] - [ 0.0002692500000000, -0.0002114600000000, -0.0001596700000000 ] - [ 0.0004114200000000, 0.0000025300000000, 0.0002129900000000 ] - [ 0.0002420600000000, 0.0001455200000000, 0.0001541300000000 ] - [ 0.0003167000000000, 0.0001412100000000, 0.0003730000000000 ] - [ 0.0005372000000000, 0.0001628800000000, 0.0003790100000000 ] - [ -0.0001793200000000, 0.0001755000000000, -0.0001875800000000 ] - [ -0.0003944700000000, 0.0001511300000000, -0.0001956200000000 ] - [ -0.0007013500000000, 0.0001985300000000, -0.0004114100000000 ] - [ -0.0002015100000000, 0.0026349900000000, -0.0027630200000000 ] - [ -0.0038687700000000, 0.0030604900000000, 0.0044643300000000 ] - [ -0.0000042800000000, 0.0001452900000000, 0.0001215200000000 ] - [ 0.0001654200000000, 0.0001481800000000, -0.0004878900000000 ] - [ 0.0000171900000000, 0.0001620100000000, -0.0000128500000000 ] - [ -0.0001022700000000, 0.0001533200000000, -0.0001818800000000 ] - [ 0.0001165500000000, 0.0001254800000000, -0.0000953200000000 ] - [ 0.0001480800000000, 0.0001094900000000, 0.0000124300000000 ] - [ -0.0003919300000000, 0.0000415400000000, 0.0000769700000000 ] - [ -0.0012327400000000, 0.0002645500000000, 0.0011852900000000 ] - [ -0.0000667000000000, -0.0001438800000000, 0.0000367400000000 ] - [ -0.0001681200000000, -0.0001571300000000, -0.0002421100000000 ] - [ -0.0007480400000000, -0.0000527700000000, -0.0002288800000000 ] - [ 0.0004000400000000, -0.0000194500000000, -0.0001692500000000 ] - [ 0.0003401300000000, -0.0001119500000000, -0.0000591900000000 ] - [ 0.0005959000000000, -0.0000548500000000, 0.0001110300000000 ] - [ 0.0003762000000000, -0.0001836600000000, 0.0000668200000000 ] - [ 0.0001439700000000, 0.0003221100000000, -0.0000310300000000 ] - [ 0.0000079300000000, 0.0002549700000000, 0.0002313900000000 ] - [ -0.0083294200000000, 0.0012143200000000, 0.0098150600000000 ] - [ 0.0001559600000000, 0.0002027200000000, 0.0005473800000000 ] - [ -0.0004745900000000, 0.0002725900000000, 0.0002687700000000 ] - [ 0.0000707500000000, 0.0001566300000000, -0.0002929600000000 ] - [ -0.0000192900000000, 0.0001524500000000, -0.0005585600000000 ] - [ -0.0002187900000000, 0.0001526000000000, -0.0005178600000000 ] - [ -0.0002600100000000, 0.0001535000000000, -0.0004636900000000 ] - [ 0.0000857500000000, 0.0000371600000000, -0.0005163200000000 ] - [ 0.0001698000000000, -0.0000317300000000, -0.0001435500000000 ] - [ 0.0022195300000000, 0.0004074100000000, 0.0034923400000000 ] - [ 0.0003898400000000, -0.0006073500000000, 0.0005912000000000 ] - [ 0.0001278800000000, -0.0000003900000000, 0.0003778500000000 ] - [ 0.0001813000000000, 0.0000869700000000, -0.0000266100000000 ] - [ 0.0000919900000000, -0.0000244900000000, 0.0002474200000000 ]- atom: 53 displacement: [ 0.0045549923526468, 0.0000000000000000, -0.0089023617466001 ] forces: - [ 0.0004125000000000, 0.0002616200000000, -0.0003759800000000 ] - [ -0.0005826600000000, -0.0004848400000000, -0.0001660200000000 ] - [ -0.0005941900000000, -0.0000962900000000, -0.0000338800000000 ] - [ -0.0000407200000000, 0.0000750900000000, 0.0003233300000000 ] - [ 0.0001269200000000, 0.0000090400000000, -0.0001028400000000 ] - [ 0.0000291400000000, -0.0000002200000000, -0.0001398000000000 ] - [ 0.0000767600000000, 0.0000686000000000, -0.0006978100000000 ] - [ -0.0000296000000000, 0.0000753900000000, -0.0002572600000000 ] - [ 0.0029948600000000, 0.0184488300000000, -0.0154406100000000 ] - [ -0.0003518700000000, 0.0000153900000000, 0.0002085800000000 ] - [ -0.0000410600000000, 0.0000758700000000, 0.0002819600000000 ] - [ 0.0000891600000000, -0.0000072000000000, 0.0001954400000000 ] - [ 0.0000936700000000, -0.0000347000000000, 0.0004438900000000 ] - [ 0.0004231800000000, -0.0001105900000000, 0.0002241800000000 ] - [ -0.0008942900000000, -0.0018674800000000, 0.0026323500000000 ] - [ 0.0001867600000000, -0.0000955200000000, 0.0002124100000000 ] - [ 0.0003819700000000, 0.0003741400000000, 0.0003652900000000 ] - [ 0.0003041100000000, -0.0002361600000000, 0.0002057700000000 ] - [ -0.0005785400000000, -0.0000120800000000, -0.0002489800000000 ] - [ -0.0001775900000000, -0.0003238600000000, -0.0006229200000000 ] - [ -0.0009458700000000, -0.0012024500000000, 0.0008681700000000 ] - [ -0.0005461500000000, -0.0002605300000000, -0.0001494400000000 ] - [ -0.0006508800000000, -0.0001695400000000, 0.0002352100000000 ] - [ -0.0000637200000000, -0.0001908000000000, -0.0000842900000000 ] - [ -0.0004055900000000, -0.0003141500000000, 0.0002492900000000 ] - [ 0.0002543200000000, -0.0002784700000000, 0.0001670500000000 ] - [ 0.0000579600000000, -0.0000577400000000, 0.0007344200000000 ] - [ 0.0002539900000000, -0.0001323900000000, 0.0003630600000000 ] - [ 0.0000198400000000, -0.0000440300000000, -0.0002044900000000 ] - [ -0.0003462300000000, 0.0000710000000000, 0.0000636700000000 ] - [ -0.0005381800000000, -0.0001405600000000, -0.0004212100000000 ] - [ 0.0002218500000000, -0.0001168300000000, -0.0001895200000000 ] - [ -0.0002046100000000, -0.0002102600000000, -0.0003898200000000 ] - [ -0.0001433400000000, 0.0002199300000000, -0.0001366800000000 ] - [ 0.0011627600000000, 0.0007403700000000, -0.0008459000000000 ] - [ 0.0003264400000000, 0.0000174700000000, 0.0002439700000000 ] - [ -0.0004880800000000, 0.0009250800000000, -0.0000607900000000 ] - [ 0.0002705000000000, 0.0002885600000000, 0.0001657000000000 ] - [ 0.0002346600000000, 0.0001428900000000, -0.0000133400000000 ] - [ 0.0000136200000000, 0.0001168100000000, -0.0000613600000000 ] - [ -0.0004708600000000, 0.0011185000000000, -0.0001052100000000 ] - [ 0.0002610300000000, 0.0002707200000000, 0.0000832200000000 ] - [ 0.0003468000000000, 0.0001866700000000, -0.0001943200000000 ] - [ -0.0002220500000000, 0.0001554400000000, -0.0001565000000000 ] - [ 0.0000993300000000, 0.0001545900000000, -0.0002180700000000 ] - [ -0.0000973200000000, 0.0002454300000000, -0.0000858200000000 ] - [ -0.0000358800000000, 0.0011479200000000, -0.0006941900000000 ] - [ -0.0001107900000000, 0.0002048100000000, 0.0000325300000000 ] - [ 0.0000270400000000, 0.0001847800000000, -0.0000719200000000 ] - [ 0.0001209500000000, 0.0000953100000000, -0.0000603600000000 ] - [ 0.0001808100000000, 0.0002014400000000, -0.0000294700000000 ] - [ -0.0000412300000000, 0.0001931600000000, -0.0002578300000000 ] - [ -0.0125768300000000, -0.0062294700000000, 0.0326749400000000 ] - [ 0.0002560600000000, -0.0002284900000000, -0.0000066900000000 ] - [ 0.0001990200000000, -0.0002550700000000, -0.0002591200000000 ] - [ 0.0000300100000000, -0.0001858700000000, -0.0001893400000000 ] - [ 0.0007205000000000, 0.0007045200000000, -0.0006164400000000 ] - [ -0.0004073800000000, 0.0003556500000000, -0.0001939200000000 ] - [ -0.0002260600000000, 0.0002366500000000, -0.0013982900000000 ] - [ -0.0000162700000000, 0.0001552000000000, 0.0000086600000000 ] - [ -0.0001518600000000, -0.0002727300000000, -0.0000754500000000 ] - [ -0.0001194500000000, -0.0002004700000000, -0.0000230600000000 ] - [ -0.0001500200000000, -0.0001852200000000, 0.0004457900000000 ] - [ -0.0000788100000000, -0.0002869200000000, 0.0002813400000000 ] - [ -0.0010248700000000, -0.0058181700000000, 0.0024625200000000 ] - [ 0.0000911900000000, -0.0000950900000000, -0.0001166000000000 ] - [ 0.0001267200000000, -0.0002047000000000, -0.0005125700000000 ] - [ -0.0000813500000000, -0.0000961400000000, -0.0001983200000000 ] - [ 0.0000603300000000, -0.0000890800000000, 0.0000616000000000 ] - [ 0.0000216800000000, -0.0000886800000000, 0.0000447500000000 ] - [ 0.0005698100000000, -0.0007863700000000, 0.0004070700000000 ] - [ -0.0002847900000000, -0.0003912500000000, 0.0001959900000000 ] - [ 0.0001307300000000, 0.0001261800000000, -0.0001111900000000 ] - [ -0.0000979200000000, 0.0000289400000000, -0.0000329900000000 ] - [ -0.0001695300000000, -0.0008791400000000, -0.0009993400000000 ] - [ 0.0000174000000000, -0.0000351200000000, 0.0000010400000000 ] - [ -0.0002818700000000, -0.0002266800000000, 0.0001542200000000 ] - [ 0.0006121300000000, -0.0007699600000000, 0.0000440500000000 ] - [ 0.0001604200000000, -0.0000627100000000, -0.0000316800000000 ] - [ -0.0000783900000000, 0.0000209100000000, -0.0001771300000000 ] - [ 0.0006685200000000, -0.0003249500000000, 0.0005897600000000 ] - [ 0.0009979400000000, 0.0002834000000000, 0.0001435100000000 ] - [ 0.0005319100000000, -0.0000252900000000, -0.0001748100000000 ] - [ 0.0004347700000000, -0.0000557800000000, -0.0002286000000000 ] - [ -0.0003959500000000, -0.0000874400000000, -0.0001013100000000 ] - [ -0.0005055900000000, -0.0000867600000000, 0.0000156000000000 ] - [ -0.0004414000000000, 0.0005492400000000, 0.0002249300000000 ] - [ -0.0004355600000000, -0.0000570000000000, 0.0001145700000000 ] - [ -0.0001946500000000, 0.0002239100000000, -0.0001376800000000 ] - [ -0.0001863600000000, 0.0000737900000000, 0.0001462300000000 ] - [ -0.0001913500000000, 0.0001450800000000, 0.0000039200000000 ] - [ -0.0002756400000000, 0.0000537900000000, 0.0001283100000000 ] - [ 0.0000910500000000, -0.0003756000000000, -0.0009061200000000 ] - [ 0.0002875800000000, 0.0000523800000000, -0.0001917100000000 ] - [ 0.0008178400000000, 0.0004185100000000, -0.0005485000000000 ] - [ 0.0000899900000000, 0.0002997800000000, -0.0001605300000000 ] - [ -0.0003334400000000, -0.0004817000000000, 0.0000580400000000 ] - [ -0.0000339000000000, -0.0001965100000000, 0.0000836400000000 ] - [ 0.0002468100000000, -0.0000516700000000, 0.0001259100000000 ] - [ -0.0005765800000000, -0.0002217500000000, 0.0000704000000000 ] - [ 0.0006467400000000, 0.0003502700000000, -0.0006928600000000 ] - [ 0.0002216100000000, -0.0001918100000000, -0.0001321000000000 ] - [ 0.0004372600000000, -0.0004264400000000, -0.0006501000000000 ] - [ 0.0002581600000000, -0.0001809200000000, -0.0001050100000000 ] - [ 0.0004017700000000, 0.0003276500000000, 0.0003629900000000 ] - [ 0.0005706400000000, 0.0001855600000000, 0.0004221700000000 ] - [ 0.0004967100000000, 0.0001898800000000, 0.0002020100000000 ] - [ 0.0002761500000000, 0.0001680200000000, 0.0001968700000000 ] - [ -0.0006325900000000, 0.0001559200000000, -0.0003865700000000 ] - [ -0.0004195800000000, 0.0001804100000000, -0.0003791500000000 ] - [ -0.0001118100000000, 0.0001329300000000, -0.0001640500000000 ] - [ -0.0005845000000000, -0.0023247700000000, 0.0021875900000000 ] - [ 0.0036705100000000, -0.0026608900000000, -0.0042189000000000 ] - [ 0.0000490800000000, 0.0000906500000000, -0.0000997200000000 ] - [ -0.0001219000000000, 0.0000861300000000, 0.0005101900000000 ] - [ 0.0000265700000000, 0.0000732600000000, 0.0000326700000000 ] - [ 0.0000554000000000, 0.0000832600000000, 0.0001569300000000 ] - [ -0.0001602000000000, 0.0001107800000000, 0.0000739300000000 ] - [ -0.0001931500000000, 0.0001281300000000, -0.0000333800000000 ] - [ 0.0003466100000000, 0.0001946600000000, -0.0000981400000000 ] - [ 0.0004827500000000, -0.0004902100000000, -0.0012119300000000 ] - [ -0.0006887700000000, -0.0000815900000000, -0.0000714100000000 ] - [ -0.0005905600000000, -0.0000692300000000, 0.0002067400000000 ] - [ -0.0000079500000000, -0.0001732300000000, 0.0001924200000000 ] - [ 0.0003607600000000, -0.0002084500000000, 0.0002024800000000 ] - [ 0.0004179700000000, -0.0001129000000000, 0.0000951600000000 ] - [ 0.0001642200000000, -0.0001681100000000, -0.0000751200000000 ] - [ 0.0003815500000000, -0.0000413000000000, -0.0000309000000000 ] - [ 0.0000380200000000, 0.0000707100000000, 0.0007905900000000 ] - [ 0.0001740400000000, 0.0001360700000000, 0.0005290500000000 ] - [ 0.0089044100000000, -0.0009064600000000, -0.0094195200000000 ] - [ 0.0000252900000000, 0.0001885900000000, 0.0002146900000000 ] - [ 0.0002942200000000, 0.0001240200000000, -0.0010281300000000 ] - [ -0.0002521800000000, 0.0002352800000000, -0.0004665800000000 ] - [ -0.0001628100000000, 0.0002397600000000, -0.0002044200000000 ] - [ 0.0000362000000000, 0.0002394800000000, -0.0002448100000000 ] - [ 0.0000203800000000, -0.0001175200000000, -0.0000924000000000 ] - [ -0.0003233300000000, -0.0000006200000000, -0.0000397400000000 ] - [ -0.0004100500000000, 0.0000673400000000, -0.0004128900000000 ] - [ -0.0024778400000000, -0.0003737300000000, -0.0040265700000000 ] - [ -0.0001512100000000, 0.0006484600000000, -0.0000336600000000 ] - [ 0.0001106800000000, 0.0000367800000000, 0.0001775100000000 ] - [ 0.0000578600000000, -0.0000508900000000, 0.0005798800000000 ] - [ 0.0001467100000000, 0.0000607100000000, 0.0003058800000000 ]- atom: 65 displacement: [ 0.0099999730884809, 0.0000000000000000, -0.0000231997770880 ] forces: - [ -0.0004116500000000, 0.0000549600000000, -0.0003514200000000 ] - [ -0.0006502300000000, -0.0002399100000000, 0.0000227800000000 ] - [ -0.0005248300000000, -0.0000926200000000, -0.0001133800000000 ] - [ -0.0002269600000000, -0.0000828000000000, -0.0000515100000000 ] - [ 0.0000484200000000, 0.0000618900000000, -0.0001659000000000 ] - [ 0.0000956200000000, 0.0000148200000000, -0.0001797100000000 ] - [ -0.0002639200000000, -0.0002872800000000, -0.0002444400000000 ] - [ 0.0000865900000000, 0.0003877000000000, -0.0001389500000000 ] - [ 0.0075904300000000, 0.0027559700000000, 0.0047570500000000 ] - [ -0.0004253900000000, 0.0000405100000000, 0.0002253900000000 ] - [ -0.0000398200000000, 0.0000710600000000, 0.0003001500000000 ] - [ 0.0000012200000000, -0.0000730800000000, 0.0001229900000000 ] - [ 0.0004291400000000, -0.0001869500000000, -0.0001345900000000 ] - [ 0.0004926400000000, -0.0003472900000000, 0.0002884400000000 ] - [ 0.0001182000000000, -0.0013472900000000, 0.0010101200000000 ] - [ -0.0001660500000000, -0.0000919400000000, 0.0003068500000000 ] - [ -0.0000400400000000, -0.0007609000000000, 0.0000005000000000 ] - [ 0.0001805700000000, -0.0002873900000000, 0.0001252000000000 ] - [ -0.0015214300000000, -0.0007041900000000, 0.0011831500000000 ] - [ -0.0012903100000000, 0.0007393700000000, -0.0013402400000000 ] - [ 0.0004836100000000, -0.0002458600000000, 0.0003132400000000 ] - [ -0.0006972000000000, -0.0002572500000000, -0.0001076000000000 ] - [ -0.0003479200000000, -0.0002855400000000, 0.0000468900000000 ] - [ -0.0002484800000000, -0.0001710700000000, -0.0001289700000000 ] - [ 0.0001073900000000, -0.0003165200000000, 0.0004111700000000 ] - [ -0.0000529300000000, 0.0001609300000000, 0.0002632600000000 ] - [ 0.0001480400000000, -0.0000419600000000, 0.0001775000000000 ] - [ 0.0001516600000000, -0.0001211100000000, 0.0003821100000000 ] - [ 0.0007477800000000, 0.0000948600000000, -0.0018525800000000 ] - [ -0.0003792500000000, -0.0001264800000000, 0.0003407800000000 ] - [ -0.0007700900000000, -0.0000774000000000, -0.0005012900000000 ] - [ 0.0002502200000000, -0.0002034300000000, -0.0001762600000000 ] - [ -0.0001929800000000, -0.0000552700000000, -0.0011554300000000 ] - [ -0.0001659300000000, 0.0002249200000000, -0.0001426800000000 ] - [ 0.0001292800000000, 0.0007706000000000, -0.0010863800000000 ] - [ 0.0007622400000000, -0.0000810000000000, 0.0004478000000000 ] - [ -0.0001936400000000, -0.0003956800000000, -0.0000049200000000 ] - [ 0.0003405700000000, 0.0002206800000000, 0.0000815400000000 ] - [ 0.0001895900000000, 0.0001737000000000, 0.0000219300000000 ] - [ 0.0000344500000000, 0.0001775600000000, 0.0000844800000000 ] - [ -0.0001726300000000, 0.0008078300000000, 0.0000572400000000 ] - [ 0.0002600500000000, 0.0002320400000000, -0.0000455800000000 ] - [ 0.0001771700000000, 0.0002187400000000, -0.0000461800000000 ] - [ -0.0000255200000000, 0.0002008900000000, -0.0000104800000000 ] - [ 0.0000639200000000, 0.0004223400000000, -0.0002666800000000 ] - [ -0.0000277400000000, 0.0002778700000000, 0.0000906700000000 ] - [ 0.0022626900000000, 0.0007311000000000, -0.0021191000000000 ] - [ 0.0000228100000000, 0.0001944600000000, 0.0000034700000000 ] - [ 0.0004353100000000, 0.0000049900000000, 0.0005300800000000 ] - [ 0.0004083500000000, 0.0001673400000000, -0.0005138000000000 ] - [ 0.0002849400000000, 0.0002022900000000, 0.0000563100000000 ] - [ -0.0000690400000000, 0.0002279900000000, -0.0000985100000000 ] - [ -0.0018469600000000, 0.0006225800000000, 0.0000861700000000 ] - [ 0.0003089300000000, -0.0002152700000000, -0.0000877400000000 ] - [ 0.0001216800000000, -0.0002840000000000, -0.0002265100000000 ] - [ 0.0000849000000000, -0.0001421300000000, -0.0000082800000000 ] - [ 0.0002340400000000, 0.0003102400000000, -0.0004485300000000 ] - [ 0.0005803700000000, 0.0000636900000000, 0.0006489300000000 ] - [ -0.0001763600000000, -0.0001125800000000, -0.0001559300000000 ] - [ 0.0000292900000000, 0.0001694100000000, 0.0000059100000000 ] - [ -0.0000715500000000, -0.0002699000000000, 0.0000366600000000 ] - [ -0.0001200800000000, -0.0001840000000000, 0.0000561500000000 ] - [ 0.0004020000000000, 0.0000634200000000, -0.0002894200000000 ] - [ 0.0004057900000000, -0.0005692200000000, 0.0006716500000000 ] - [ -0.0444450700000000, -0.0022135700000000, -0.0097220400000000 ] - [ 0.0001911200000000, -0.0000871100000000, -0.0001543300000000 ] - [ 0.0002123800000000, 0.0000739500000000, -0.0000145300000000 ] - [ -0.0000478400000000, -0.0001523100000000, -0.0000890800000000 ] - [ 0.0000687000000000, -0.0001531500000000, 0.0001740800000000 ] - [ 0.0000308500000000, -0.0001016500000000, 0.0001160700000000 ] - [ 0.0000863500000000, -0.0000760000000000, 0.0001050900000000 ] - [ -0.0001053600000000, -0.0001173900000000, 0.0000967300000000 ] - [ -0.0000679300000000, -0.0000282000000000, -0.0000607400000000 ] - [ 0.0000004200000000, -0.0000830300000000, 0.0000734400000000 ] - [ -0.0001229000000000, 0.0000264800000000, 0.0000041000000000 ] - [ 0.0000535100000000, -0.0000372100000000, -0.0000139400000000 ] - [ 0.0004782700000000, 0.0001483900000000, 0.0003447200000000 ] - [ 0.0004699700000000, -0.0000613500000000, -0.0002337800000000 ] - [ 0.0002688700000000, -0.0000841000000000, -0.0000058300000000 ] - [ -0.0001726700000000, -0.0000520400000000, -0.0001353200000000 ] - [ 0.0007534900000000, -0.0004933900000000, -0.0002670900000000 ] - [ 0.0007455400000000, 0.0001708400000000, 0.0000477100000000 ] - [ 0.0005196700000000, -0.0000364500000000, -0.0000907300000000 ] - [ 0.0004453800000000, -0.0000318200000000, -0.0000637800000000 ] - [ -0.0004375100000000, 0.0000138100000000, -0.0000114100000000 ] - [ -0.0005497400000000, -0.0000376100000000, 0.0001242200000000 ] - [ -0.0010903800000000, 0.0001069400000000, 0.0001332800000000 ] - [ -0.0003062300000000, -0.0000987200000000, 0.0000644500000000 ] - [ -0.0007295200000000, 0.0004737400000000, -0.0001004700000000 ] - [ -0.0001101900000000, 0.0001032800000000, 0.0001344200000000 ] - [ -0.0002517400000000, 0.0001214100000000, 0.0000449500000000 ] - [ -0.0002453300000000, 0.0000336400000000, 0.0002021300000000 ] - [ -0.0001699800000000, 0.0001353800000000, 0.0002701600000000 ] - [ 0.0003091600000000, 0.0000956100000000, -0.0001554000000000 ] - [ 0.0005088100000000, -0.0003884200000000, -0.0005165700000000 ] - [ 0.0004517500000000, 0.0002979300000000, 0.0004895800000000 ] - [ -0.0022213400000000, -0.0004017100000000, 0.0010701700000000 ] - [ 0.0000218000000000, -0.0002079600000000, 0.0000238500000000 ] - [ 0.0007194200000000, -0.0001506900000000, -0.0001017600000000 ] - [ -0.0005533600000000, -0.0001664700000000, 0.0001312800000000 ] - [ 0.0000008500000000, 0.0005760000000000, -0.0004975900000000 ] - [ 0.0004554700000000, -0.0002608800000000, -0.0001135600000000 ] - [ 0.0002108400000000, -0.0002148800000000, -0.0001439300000000 ] - [ 0.0003671000000000, -0.0001816700000000, -0.0001267000000000 ] - [ -0.0000587500000000, -0.0006188300000000, 0.0006321600000000 ] - [ 0.0007159200000000, 0.0001908200000000, 0.0003241900000000 ] - [ 0.0004168000000000, 0.0001879200000000, 0.0002520200000000 ] - [ 0.0003396100000000, 0.0001383100000000, 0.0002615400000000 ] - [ -0.0004978200000000, 0.0002165500000000, -0.0002310200000000 ] - [ -0.0005202900000000, 0.0001727300000000, -0.0004648300000000 ] - [ -0.0001879200000000, 0.0001869200000000, -0.0002155600000000 ] - [ 0.0036261000000000, 0.0024130900000000, 0.0059238900000000 ] - [ 0.0072314000000000, 0.0052676900000000, -0.0018033400000000 ] - [ -0.0002916700000000, 0.0001279700000000, -0.0000063400000000 ] - [ 0.0000584700000000, 0.0001902300000000, 0.0002358600000000 ] - [ -0.0000732400000000, 0.0000348900000000, -0.0001863100000000 ] - [ 0.0000672700000000, 0.0006017500000000, -0.0001409800000000 ] - [ -0.0001477500000000, 0.0001596000000000, 0.0001246400000000 ] - [ -0.0002570400000000, 0.0000796300000000, 0.0000682500000000 ] - [ 0.0002625500000000, 0.0001106700000000, -0.0001663700000000 ] - [ 0.0073794300000000, -0.0086547700000000, 0.0028381900000000 ] - [ -0.0006933300000000, -0.0001861200000000, 0.0000168200000000 ] - [ -0.0005417100000000, -0.0001364700000000, 0.0001880600000000 ] - [ -0.0001011700000000, -0.0001257100000000, -0.0001146900000000 ] - [ 0.0005062300000000, -0.0001338700000000, 0.0000722800000000 ] - [ 0.0002640400000000, -0.0000633000000000, -0.0000221400000000 ] - [ 0.0004882400000000, -0.0003431700000000, 0.0001312400000000 ] - [ 0.0002040300000000, 0.0000495900000000, -0.0000993300000000 ] - [ 0.0002093700000000, 0.0001515200000000, 0.0004775400000000 ] - [ -0.0000207700000000, 0.0002012000000000, 0.0002812500000000 ] - [ 0.0001359800000000, 0.0006061600000000, 0.0005114700000000 ] - [ -0.0001694500000000, 0.0001151400000000, 0.0003645300000000 ] - [ 0.0082542900000000, 0.0081817400000000, -0.0036353800000000 ] - [ -0.0004455200000000, 0.0002583300000000, -0.0003586700000000 ] - [ -0.0001303300000000, 0.0002544900000000, -0.0002494700000000 ] - [ -0.0000167800000000, 0.0002033800000000, -0.0003643300000000 ] - [ -0.0000484900000000, -0.0000021100000000, -0.0004379200000000 ] - [ -0.0002240300000000, 0.0000125100000000, -0.0001626000000000 ] - [ -0.0004156300000000, 0.0000385500000000, -0.0002592900000000 ] - [ 0.0007698900000000, -0.0004826000000000, -0.0004296200000000 ] - [ 0.0107797100000000, -0.0081518300000000, 0.0037666000000000 ] - [ -0.0002411100000000, 0.0000124800000000, 0.0002421600000000 ] - [ 0.0001673400000000, -0.0000274200000000, 0.0004488800000000 ] - [ 0.0001125300000000, 0.0000932700000000, 0.0001912100000000 ]- atom: 65 displacement: [ -0.0099999730884809, 0.0000000000000000, 0.0000231997770880 ] forces: - [ -0.0003735800000000, -0.0002442400000000, 0.0000523000000000 ] - [ -0.0001344900000000, 0.0000518500000000, -0.0003234700000000 ] - [ -0.0002579900000000, -0.0000997500000000, -0.0001829600000000 ] - [ -0.0005603700000000, -0.0001030000000000, -0.0002487200000000 ] - [ 0.0001142000000000, -0.0000463900000000, -0.0002045000000000 ] - [ 0.0000639100000000, -0.0000004900000000, -0.0001916000000000 ] - [ 0.0004245100000000, 0.0002985500000000, -0.0001267100000000 ] - [ 0.0000784400000000, -0.0003766000000000, -0.0002327500000000 ] - [ -0.0076609700000000, -0.0027134500000000, -0.0043349400000000 ] - [ 0.0002650400000000, -0.0000298100000000, 0.0001499500000000 ] - [ -0.0001276300000000, -0.0000595100000000, 0.0000726600000000 ] - [ -0.0001579600000000, 0.0000830400000000, 0.0002484200000000 ] - [ 0.0003249400000000, -0.0000206900000000, 0.0004500400000000 ] - [ 0.0002937200000000, 0.0001609400000000, 0.0000039400000000 ] - [ 0.0006639600000000, 0.0011558500000000, -0.0007127100000000 ] - [ 0.0009534400000000, -0.0000937300000000, -0.0000078300000000 ] - [ 0.0006980800000000, 0.0003189900000000, 0.0001435200000000 ] - [ 0.0004752800000000, -0.0001463300000000, 0.0000166600000000 ] - [ 0.0021721900000000, 0.0002678000000000, -0.0010424000000000 ] - [ 0.0019610900000000, -0.0011836100000000, 0.0014941500000000 ] - [ -0.0011371600000000, -0.0001959700000000, -0.0004534100000000 ] - [ 0.0000412500000000, -0.0001818100000000, -0.0000333800000000 ] - [ -0.0003064600000000, -0.0001538500000000, -0.0001874100000000 ] - [ -0.0004098600000000, -0.0002677800000000, -0.0000120100000000 ] - [ 0.0003086700000000, 0.0000138000000000, 0.0002515600000000 ] - [ 0.0004638300000000, -0.0004630400000000, 0.0003980900000000 ] - [ 0.0002625900000000, -0.0002620500000000, 0.0004816500000000 ] - [ 0.0002605800000000, -0.0001833100000000, 0.0002812300000000 ] - [ -0.0011156500000000, -0.0003919500000000, 0.0011954300000000 ] - [ -0.0000348800000000, -0.0001749700000000, -0.0010098900000000 ] - [ 0.0003574100000000, -0.0002241100000000, -0.0001622300000000 ] - [ -0.0006617800000000, -0.0001017900000000, -0.0004886500000000 ] - [ -0.0000008100000000, 0.0004445000000000, 0.0009733000000000 ] - [ -0.0000658600000000, 0.0001513100000000, -0.0000136100000000 ] - [ -0.0003599200000000, -0.0003928700000000, 0.0009234400000000 ] - [ -0.0010010600000000, 0.0004601600000000, -0.0006111100000000 ] - [ 0.0004231200000000, 0.0007687600000000, 0.0001633500000000 ] - [ -0.0001108600000000, 0.0001568700000000, 0.0000770700000000 ] - [ 0.0000406000000000, 0.0002036100000000, 0.0001356000000000 ] - [ 0.0001966000000000, 0.0002002700000000, 0.0000737700000000 ] - [ 0.0003588200000000, -0.0003538700000000, -0.0000353100000000 ] - [ -0.0000702600000000, 0.0002161500000000, 0.0000700200000000 ] - [ 0.0000119700000000, 0.0002290200000000, 0.0000686300000000 ] - [ 0.0002159600000000, 0.0002472500000000, 0.0000334600000000 ] - [ -0.0002473500000000, 0.0000320800000000, 0.0002392400000000 ] - [ -0.0001597700000000, 0.0001690100000000, -0.0001125300000000 ] - [ -0.0024329600000000, -0.0002769200000000, 0.0020890900000000 ] - [ -0.0002130500000000, 0.0002536600000000, -0.0000266500000000 ] - [ -0.0002674800000000, 0.0003316100000000, -0.0005547200000000 ] - [ -0.0002385400000000, 0.0001683600000000, 0.0004913600000000 ] - [ -0.0001144900000000, 0.0001364900000000, -0.0000841200000000 ] - [ 0.0002390600000000, 0.0001095000000000, 0.0000725000000000 ] - [ 0.0020927400000000, -0.0009894300000000, -0.0002445900000000 ] - [ -0.0000650400000000, -0.0001781500000000, -0.0000851000000000 ] - [ 0.0001257800000000, -0.0001084400000000, 0.0000515500000000 ] - [ 0.0001584200000000, -0.0002510700000000, -0.0001642700000000 ] - [ -0.0004064300000000, 0.0000285000000000, 0.0004767400000000 ] - [ -0.0007484300000000, 0.0002743900000000, -0.0006197300000000 ] - [ 0.0000054300000000, 0.0004485900000000, 0.0001840900000000 ] - [ -0.0001999800000000, 0.0001678500000000, 0.0000198200000000 ] - [ -0.0001725000000000, -0.0001269000000000, 0.0001330300000000 ] - [ -0.0001239900000000, -0.0002103100000000, 0.0001161200000000 ] - [ -0.0006444700000000, -0.0004573500000000, 0.0004596600000000 ] - [ -0.0006500200000000, 0.0001745900000000, -0.0004994100000000 ] - [ 0.0444044100000000, 0.0018929900000000, 0.0094829400000000 ] - [ -0.0001818600000000, -0.0001325200000000, -0.0001408900000000 ] - [ -0.0002011800000000, -0.0002927100000000, -0.0002815200000000 ] - [ 0.0000571600000000, -0.0000674400000000, -0.0002070000000000 ] - [ -0.0000794400000000, -0.0000677300000000, 0.0001200800000000 ] - [ -0.0000410200000000, -0.0001178100000000, 0.0001785900000000 ] - [ -0.0000966500000000, -0.0001434900000000, 0.0001888100000000 ] - [ 0.0000954000000000, -0.0001025200000000, 0.0001987900000000 ] - [ 0.0000018800000000, -0.0000164300000000, 0.0000336600000000 ] - [ -0.0000679900000000, 0.0000376200000000, -0.0001001700000000 ] - [ 0.0000554800000000, -0.0000697900000000, -0.0000293300000000 ] - [ -0.0001202700000000, -0.0000071700000000, -0.0000134500000000 ] - [ -0.0004193000000000, -0.0001901500000000, -0.0003091200000000 ] - [ -0.0003984700000000, 0.0000158500000000, 0.0002607100000000 ] - [ -0.0002002600000000, 0.0000391700000000, 0.0000315000000000 ] - [ 0.0002401900000000, 0.0000087200000000, 0.0001626000000000 ] - [ 0.0001970300000000, 0.0003681100000000, 0.0001278400000000 ] - [ 0.0002032300000000, -0.0002951400000000, -0.0001866100000000 ] - [ 0.0004299700000000, -0.0000865800000000, -0.0000479800000000 ] - [ 0.0005040100000000, -0.0000930500000000, -0.0000734500000000 ] - [ -0.0005053300000000, -0.0001411200000000, 0.0001443200000000 ] - [ -0.0004030700000000, -0.0000863600000000, 0.0000121900000000 ] - [ 0.0001388400000000, -0.0002393100000000, 0.0000207400000000 ] - [ -0.0006434000000000, -0.0000257300000000, 0.0000723600000000 ] - [ 0.0002820400000000, -0.0003132600000000, 0.0003894600000000 ] - [ -0.0003344200000000, 0.0000561900000000, 0.0001510200000000 ] - [ -0.0001931800000000, 0.0000376200000000, 0.0002403500000000 ] - [ -0.0001993600000000, 0.0001247600000000, 0.0000835900000000 ] - [ 0.0006130400000000, 0.0000295400000000, -0.0005545700000000 ] - [ 0.0001356100000000, 0.0000620100000000, -0.0001299100000000 ] - [ -0.0000616300000000, 0.0005453000000000, 0.0002288100000000 ] - [ -0.0000084600000000, -0.0001410900000000, -0.0007779000000000 ] - [ 0.0016881800000000, -0.0000298300000000, -0.0008745100000000 ] - [ -0.0005484500000000, -0.0001853900000000, 0.0002462200000000 ] - [ -0.0012458200000000, -0.0002445500000000, 0.0003666400000000 ] - [ 0.0000269200000000, -0.0002265800000000, 0.0001364700000000 ] - [ 0.0005260100000000, -0.0009772200000000, 0.0002349700000000 ] - [ 0.0000703800000000, -0.0001325500000000, -0.0001537800000000 ] - [ 0.0003158900000000, -0.0001788000000000, -0.0001243300000000 ] - [ 0.0001581300000000, -0.0002115100000000, -0.0001412600000000 ] - [ 0.0008724500000000, 0.0009580100000000, -0.0000586300000000 ] - [ 0.0000965500000000, 0.0001408500000000, 0.0002535400000000 ] - [ 0.0003964600000000, 0.0001429200000000, 0.0003261500000000 ] - [ 0.0004710900000000, 0.0001931500000000, 0.0003161200000000 ] - [ -0.0003186100000000, 0.0001162200000000, -0.0003457800000000 ] - [ -0.0002875600000000, 0.0001598800000000, -0.0001147800000000 ] - [ -0.0006277200000000, 0.0001462200000000, -0.0003602000000000 ] - [ -0.0044823800000000, -0.0020906300000000, -0.0065600600000000 ] - [ -0.0073669400000000, -0.0052400600000000, 0.0019089400000000 ] - [ 0.0003348700000000, 0.0001054600000000, 0.0000288500000000 ] - [ -0.0000149400000000, 0.0000439500000000, -0.0002131000000000 ] - [ 0.0001178000000000, 0.0001994400000000, 0.0002100400000000 ] - [ -0.0001092800000000, -0.0003561200000000, 0.0001171800000000 ] - [ 0.0001022000000000, 0.0000755000000000, -0.0001476200000000 ] - [ 0.0002127100000000, 0.0001548300000000, -0.0000892000000000 ] - [ -0.0003083200000000, 0.0001243800000000, 0.0001455200000000 ] - [ -0.0079561900000000, 0.0081824700000000, -0.0027512900000000 ] - [ -0.0000634300000000, -0.0000402200000000, -0.0000514800000000 ] - [ -0.0002159500000000, -0.0000898400000000, -0.0002199900000000 ] - [ -0.0006564900000000, -0.0000999500000000, 0.0000802300000000 ] - [ 0.0002516400000000, -0.0000849300000000, -0.0000410200000000 ] - [ 0.0004924800000000, -0.0001626300000000, 0.0000552500000000 ] - [ 0.0002710700000000, 0.0001184000000000, -0.0000967900000000 ] - [ 0.0005527600000000, -0.0002763500000000, 0.0001336500000000 ] - [ -0.0000283700000000, 0.0002384000000000, 0.0002822300000000 ] - [ 0.0002030200000000, 0.0001923200000000, 0.0004788000000000 ] - [ 0.0000482200000000, -0.0002130800000000, 0.0002491700000000 ] - [ 0.0003523400000000, 0.0002782100000000, 0.0003966400000000 ] - [ -0.0082469600000000, -0.0075318800000000, 0.0027995500000000 ] - [ 0.0002645600000000, 0.0001347000000000, -0.0004033500000000 ] - [ -0.0000509600000000, 0.0001398700000000, -0.0005085300000000 ] - [ -0.0001652800000000, 0.0001894500000000, -0.0003970200000000 ] - [ -0.0001882900000000, 0.0000377800000000, -0.0001155700000000 ] - [ -0.0000160200000000, 0.0000251000000000, -0.0003912700000000 ] - [ 0.0001756800000000, -0.0000024400000000, -0.0002931400000000 ] - [ -0.0010071500000000, 0.0005244500000000, -0.0001231000000000 ] - [ -0.0107929200000000, 0.0084698400000000, -0.0033312800000000 ] - [ 0.0004786600000000, 0.0000261100000000, 0.0003105800000000 ] - [ 0.0000693000000000, 0.0000641100000000, 0.0001053700000000 ] - [ 0.0001260900000000, -0.0000558200000000, 0.0003638200000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004936000000000, -0.0004244600000000, -0.0002375500000000 ] - [ -0.0003797800000000, -0.0003485000000000, -0.0001057100000000 ] - [ -0.0004507900000000, -0.0000801500000000, -0.0001362700000000 ] - [ -0.0003634900000000, -0.0001399000000000, -0.0001698500000000 ] - [ 0.0000685200000000, -0.0000070700000000, -0.0002072700000000 ] - [ 0.0000888000000000, -0.0000104900000000, -0.0001920300000000 ] - [ -0.0000028600000000, -0.0003902400000000, -0.0002507300000000 ] - [ 0.0001668200000000, -0.0003614100000000, -0.0002820300000000 ] - [ 0.0015390800000000, 0.0218528800000000, 0.0226699000000000 ] - [ -0.0001103300000000, 0.0000210900000000, 0.0002042300000000 ] - [ -0.0000412100000000, -0.0001003100000000, 0.0001700100000000 ] - [ -0.0000137000000000, 0.0000198400000000, 0.0001971700000000 ] - [ 0.0010695400000000, 0.0006810900000000, -0.0002051800000000 ] - [ 0.0003909000000000, 0.0000910400000000, -0.0001167400000000 ] - [ -0.0003445500000000, 0.0012907400000000, 0.0008500400000000 ] - [ 0.0002144600000000, -0.0000843400000000, 0.0002319900000000 ] - [ 0.0000023100000000, 0.0006819800000000, -0.0001106000000000 ] - [ 0.0002762500000000, -0.0002295500000000, 0.0001468100000000 ] - [ 0.0003532900000000, -0.0002758600000000, 0.0000580800000000 ] - [ -0.0001941800000000, -0.0000363000000000, -0.0004198400000000 ] - [ -0.0005312800000000, -0.0010442900000000, 0.0007932000000000 ] - [ -0.0003425600000000, -0.0002408500000000, -0.0000905600000000 ] - [ -0.0003250700000000, -0.0002172800000000, -0.0001167900000000 ] - [ -0.0003202000000000, -0.0002512900000000, -0.0000769500000000 ] - [ -0.0000103700000000, -0.0003431400000000, 0.0003559000000000 ] - [ 0.0003553000000000, -0.0004732100000000, 0.0003245100000000 ] - [ 0.0002582300000000, -0.0000513800000000, 0.0001001200000000 ] - [ 0.0002091000000000, -0.0001703600000000, 0.0003184700000000 ] - [ -0.0001373300000000, 0.0008050300000000, 0.0000851500000000 ] - [ -0.0000161400000000, 0.0001244400000000, -0.0001995500000000 ] - [ -0.0002796600000000, -0.0001431000000000, -0.0003621300000000 ] - [ -0.0000482800000000, -0.0001433100000000, -0.0000793500000000 ] - [ -0.0013295500000000, -0.0004854200000000, 0.0008346900000000 ] - [ -0.0003051600000000, 0.0001460600000000, -0.0000191000000000 ] - [ 0.0001534200000000, -0.0001463400000000, -0.0000349000000000 ] - [ 0.0003353900000000, 0.0000226000000000, 0.0001404900000000 ] - [ 0.0003444300000000, 0.0007620400000000, 0.0001775300000000 ] - [ 0.0001412000000000, 0.0002344000000000, 0.0000957300000000 ] - [ 0.0001538800000000, 0.0001933300000000, 0.0000754300000000 ] - [ 0.0001041500000000, 0.0002243000000000, 0.0000992800000000 ] - [ -0.0000773100000000, 0.0010719500000000, -0.0000497100000000 ] - [ 0.0001212500000000, 0.0002936900000000, 0.0000585500000000 ] - [ 0.0001150600000000, 0.0002302800000000, 0.0000114600000000 ] - [ 0.0000632500000000, 0.0002306700000000, 0.0000139700000000 ] - [ 0.0000694200000000, -0.0000250200000000, 0.0001634700000000 ] - [ 0.0001422200000000, 0.0001791500000000, 0.0001207800000000 ] - [ -0.0004120700000000, -0.0000085700000000, 0.0002576500000000 ] - [ -0.0001040900000000, 0.0002124800000000, -0.0000196300000000 ] - [ 0.0006203400000000, 0.0000484600000000, 0.0004839600000000 ] - [ -0.0003305100000000, 0.0001469100000000, 0.0004297500000000 ] - [ 0.0000916700000000, 0.0000588600000000, 0.0000468700000000 ] - [ 0.0000542800000000, 0.0002815600000000, -0.0000242900000000 ] - [ -0.0000902500000000, 0.0096814200000000, 0.0061515800000000 ] - [ 0.0001353100000000, -0.0002077000000000, -0.0000961200000000 ] - [ 0.0001684600000000, -0.0003718500000000, 0.0000466300000000 ] - [ 0.0001053400000000, -0.0001947000000000, -0.0001092200000000 ] - [ 0.0003413200000000, 0.0002925700000000, -0.0004919000000000 ] - [ -0.0007412200000000, 0.0003651500000000, -0.0005227300000000 ] - [ -0.0001138400000000, 0.0000627400000000, 0.0002864700000000 ] - [ -0.0000672900000000, 0.0001938600000000, 0.0000298400000000 ] - [ -0.0001138000000000, -0.0001671100000000, 0.0001133200000000 ] - [ -0.0001383400000000, -0.0001813700000000, 0.0001014300000000 ] - [ 0.0004146200000000, 0.0001177300000000, -0.0004001000000000 ] - [ -0.0008544000000000, 0.0002496400000000, -0.0006086000000000 ] - [ -0.0020739600000000, -0.0650560000000000, -0.0170644000000000 ] - [ 0.0000277000000000, -0.0001509000000000, -0.0001435000000000 ] - [ 0.0001880900000000, -0.0001621000000000, -0.0001566100000000 ] - [ -0.0000379400000000, -0.0001810000000000, -0.0001642200000000 ] - [ 0.0000374600000000, -0.0000551400000000, 0.0001910900000000 ] - [ -0.0000132400000000, -0.0000536900000000, 0.0001718400000000 ] - [ -0.0000389600000000, 0.0000730000000000, 0.0002104600000000 ] - [ 0.0000021200000000, 0.0000364500000000, 0.0001958400000000 ] - [ -0.0000027400000000, 0.0000493700000000, 0.0000030600000000 ] - [ -0.0000564400000000, 0.0001053100000000, -0.0000131700000000 ] - [ -0.0000608300000000, 0.0002917000000000, 0.0003921700000000 ] - [ -0.0000353600000000, 0.0000049100000000, -0.0000091400000000 ] - [ 0.0000227200000000, -0.0005826400000000, 0.0001116900000000 ] - [ -0.0000864400000000, -0.0006861200000000, 0.0000737000000000 ] - [ 0.0000889300000000, 0.0000254300000000, 0.0000929300000000 ] - [ 0.0000261800000000, -0.0002398000000000, -0.0003310800000000 ] - [ 0.0001178000000000, 0.0003540900000000, 0.0001367600000000 ] - [ 0.0007140100000000, 0.0001958100000000, -0.0000221800000000 ] - [ 0.0005039800000000, -0.0000613000000000, -0.0000679900000000 ] - [ 0.0004545200000000, -0.0000415900000000, -0.0000424500000000 ] - [ -0.0006381000000000, 0.0000114300000000, 0.0002659300000000 ] - [ -0.0004395500000000, -0.0001340900000000, 0.0000935200000000 ] - [ -0.0001022100000000, -0.0000697200000000, -0.0026982900000000 ] - [ -0.0004768600000000, -0.0001171000000000, 0.0000342400000000 ] - [ -0.0001755900000000, 0.0018045500000000, 0.0003102200000000 ] - [ -0.0002120100000000, 0.0001092300000000, 0.0001190400000000 ] - [ -0.0001902400000000, 0.0000662000000000, 0.0001421700000000 ] - [ -0.0002397700000000, 0.0000919500000000, 0.0001047500000000 ] - [ 0.0002786000000000, -0.0001999300000000, -0.0011758400000000 ] - [ 0.0002243800000000, 0.0000379300000000, -0.0001203000000000 ] - [ 0.0002419100000000, -0.0000443300000000, -0.0001500900000000 ] - [ 0.0003496900000000, 0.0000868300000000, 0.0000118100000000 ] - [ 0.0007472800000000, 0.0004361000000000, 0.0015756900000000 ] - [ -0.0002196800000000, -0.0001935700000000, 0.0001158800000000 ] - [ -0.0002759000000000, -0.0001649400000000, 0.0000918000000000 ] - [ -0.0004356500000000, -0.0002396900000000, 0.0001207600000000 ] - [ 0.0002519000000000, 0.0001476100000000, -0.0002992900000000 ] - [ 0.0001823000000000, -0.0001577600000000, -0.0001287600000000 ] - [ 0.0002255300000000, -0.0001449900000000, -0.0000713600000000 ] - [ 0.0002448900000000, -0.0001579500000000, -0.0001364600000000 ] - [ 0.0004876400000000, 0.0008803400000000, 0.0000752800000000 ] - [ 0.0004594900000000, 0.0002202600000000, 0.0003100300000000 ] - [ 0.0004008300000000, 0.0002201800000000, 0.0002796700000000 ] - [ 0.0004108700000000, 0.0001826600000000, 0.0003047600000000 ] - [ -0.0005242600000000, 0.0001268200000000, -0.0001255000000000 ] - [ -0.0006837100000000, 0.0002087800000000, -0.0002354300000000 ] - [ -0.0003856800000000, 0.0001450400000000, -0.0002934700000000 ] - [ 0.0030946700000000, -0.0016309300000000, 0.0001483200000000 ] - [ 0.0055826200000000, 0.0070100500000000, -0.0017042100000000 ] - [ 0.0001214700000000, 0.0002313500000000, -0.0000267400000000 ] - [ 0.0000767800000000, 0.0001775200000000, -0.0000726900000000 ] - [ -0.0000109200000000, 0.0000366200000000, -0.0000490800000000 ] - [ 0.0000049900000000, 0.0000071000000000, -0.0001768300000000 ] - [ 0.0000655900000000, 0.0000400100000000, -0.0000431900000000 ] - [ -0.0001273100000000, 0.0000990600000000, 0.0000591600000000 ] - [ 0.0000729100000000, -0.0001401500000000, 0.0001749800000000 ] - [ -0.0080191900000000, 0.0091906100000000, -0.0031576300000000 ] - [ -0.0004492400000000, -0.0000221200000000, -0.0000134000000000 ] - [ -0.0004440300000000, -0.0001570400000000, -0.0000722000000000 ] - [ -0.0003154400000000, -0.0000577400000000, -0.0000939500000000 ] - [ 0.0003351800000000, -0.0003344200000000, -0.0000963800000000 ] - [ 0.0002978800000000, -0.0002044900000000, -0.0000364100000000 ] - [ 0.0001960300000000, -0.0004394200000000, 0.0002869100000000 ] - [ 0.0005336500000000, -0.0000943300000000, 0.0001384200000000 ] - [ 0.0000043000000000, 0.0001192400000000, 0.0005676700000000 ] - [ 0.0002115600000000, 0.0001605900000000, 0.0004377400000000 ] - [ 0.0011283400000000, 0.0002328000000000, -0.0005666500000000 ] - [ 0.0000267100000000, 0.0001377100000000, 0.0003548300000000 ] - [ 0.0072702500000000, 0.0077155900000000, -0.0033752100000000 ] - [ 0.0000649500000000, 0.0002566500000000, -0.0004052700000000 ] - [ -0.0001997800000000, 0.0002123600000000, -0.0004927800000000 ] - [ -0.0000366300000000, 0.0001929700000000, -0.0003942200000000 ] - [ -0.0000880700000000, -0.0001490900000000, -0.0001536500000000 ] - [ -0.0001630900000000, 0.0000389200000000, -0.0001986900000000 ] - [ -0.0000647300000000, 0.0000057700000000, -0.0003393500000000 ] - [ -0.0010913300000000, -0.0001887500000000, -0.0011960100000000 ] - [ -0.0071950700000000, 0.0068858500000000, -0.0027666800000000 ] - [ -0.0000233400000000, 0.0000759200000000, 0.0002789900000000 ] - [ 0.0001320700000000, -0.0000147500000000, 0.0001866000000000 ] - [ 0.0001400900000000, 0.0000758100000000, 0.0002029300000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002949400000000, 0.0002303800000000, -0.0000620800000000 ] - [ -0.0004154400000000, 0.0001602400000000, -0.0001947300000000 ] - [ -0.0003402600000000, -0.0001084400000000, -0.0001632500000000 ] - [ -0.0004245900000000, -0.0000500500000000, -0.0001304500000000 ] - [ 0.0000939600000000, 0.0000216700000000, -0.0001619100000000 ] - [ 0.0000730500000000, 0.0000241400000000, -0.0001788300000000 ] - [ 0.0001635900000000, 0.0004013900000000, -0.0001190000000000 ] - [ -0.0000028500000000, 0.0003704200000000, -0.0000887700000000 ] - [ -0.0018579600000000, -0.0219939200000000, -0.0228836700000000 ] - [ -0.0000495500000000, -0.0000086800000000, 0.0001654400000000 ] - [ -0.0001221100000000, 0.0001116700000000, 0.0001999000000000 ] - [ -0.0001459900000000, -0.0000080600000000, 0.0001720500000000 ] - [ -0.0002732700000000, -0.0008703300000000, 0.0005073500000000 ] - [ 0.0003932500000000, -0.0002743500000000, 0.0004009500000000 ] - [ 0.0011461000000000, -0.0014516000000000, -0.0005649000000000 ] - [ 0.0005685800000000, -0.0001048600000000, 0.0000691100000000 ] - [ 0.0006571800000000, -0.0011024300000000, 0.0002579800000000 ] - [ 0.0003691000000000, -0.0002061500000000, 0.0000003100000000 ] - [ 0.0003154300000000, -0.0001571200000000, 0.0000851600000000 ] - [ 0.0008332900000000, -0.0003913500000000, 0.0005496100000000 ] - [ -0.0001203700000000, 0.0006140600000000, -0.0009427300000000 ] - [ -0.0003143500000000, -0.0001893600000000, -0.0000528000000000 ] - [ -0.0003248200000000, -0.0002170100000000, -0.0000258800000000 ] - [ -0.0003305700000000, -0.0001892500000000, -0.0000638000000000 ] - [ 0.0004209800000000, 0.0000448700000000, 0.0003059300000000 ] - [ 0.0000570800000000, 0.0001730400000000, 0.0003372500000000 ] - [ 0.0001551400000000, -0.0002535500000000, 0.0005616500000000 ] - [ 0.0002021800000000, -0.0001322700000000, 0.0003417800000000 ] - [ -0.0002641000000000, -0.0010996900000000, -0.0007146600000000 ] - [ -0.0003915800000000, -0.0004218600000000, -0.0004565300000000 ] - [ -0.0001312100000000, -0.0001599500000000, -0.0002967700000000 ] - [ -0.0003650400000000, -0.0001563300000000, -0.0005798600000000 ] - [ 0.0010978300000000, 0.0008553300000000, -0.0010053500000000 ] - [ 0.0000716300000000, 0.0002302900000000, -0.0001372000000000 ] - [ -0.0003994800000000, 0.0005146400000000, -0.0001192900000000 ] - [ -0.0005578900000000, 0.0003527400000000, -0.0002967400000000 ] - [ -0.0001132200000000, -0.0003772000000000, -0.0000199500000000 ] - [ 0.0000892200000000, 0.0001439000000000, 0.0000636100000000 ] - [ 0.0000768300000000, 0.0001842500000000, 0.0000842100000000 ] - [ 0.0001252900000000, 0.0001540500000000, 0.0000610300000000 ] - [ 0.0002681000000000, -0.0006251300000000, 0.0000753400000000 ] - [ 0.0000693000000000, 0.0001545800000000, -0.0000357800000000 ] - [ 0.0000749300000000, 0.0002176600000000, 0.0000124000000000 ] - [ 0.0001274000000000, 0.0002178400000000, 0.0000095500000000 ] - [ -0.0002654500000000, 0.0004727900000000, -0.0001853300000000 ] - [ -0.0003225700000000, 0.0002673100000000, -0.0001422800000000 ] - [ 0.0002135700000000, 0.0004532300000000, -0.0002696900000000 ] - [ -0.0000858700000000, 0.0002350600000000, -0.0000034500000000 ] - [ -0.0004497800000000, 0.0002865200000000, -0.0005071700000000 ] - [ 0.0004983800000000, 0.0001894900000000, -0.0004531300000000 ] - [ 0.0000773900000000, 0.0002764800000000, -0.0000729800000000 ] - [ 0.0001167500000000, 0.0000548100000000, -0.0000019800000000 ] - [ 0.0003345000000000, -0.0102589400000000, -0.0064203300000000 ] - [ 0.0001111100000000, -0.0001863800000000, -0.0000762100000000 ] - [ 0.0000805000000000, -0.0000273300000000, -0.0002146600000000 ] - [ 0.0001407100000000, -0.0001992200000000, -0.0000611000000000 ] - [ -0.0005133400000000, 0.0000449700000000, 0.0005220700000000 ] - [ 0.0005734800000000, -0.0000285600000000, 0.0005535500000000 ] - [ -0.0000577600000000, 0.0002780800000000, -0.0002555200000000 ] - [ -0.0001034600000000, 0.0001435000000000, -0.0000029700000000 ] - [ -0.0001326500000000, -0.0002263600000000, 0.0000589800000000 ] - [ -0.0001079500000000, -0.0002120700000000, 0.0000705600000000 ] - [ -0.0006562500000000, -0.0005099300000000, 0.0005647700000000 ] - [ 0.0005992400000000, -0.0006405300000000, 0.0007712100000000 ] - [ 0.0021157800000000, 0.0651146000000000, 0.0174190100000000 ] - [ -0.0000185000000000, -0.0000677100000000, -0.0001508100000000 ] - [ -0.0001791900000000, -0.0000541300000000, -0.0001315200000000 ] - [ 0.0000465700000000, -0.0000379600000000, -0.0001280600000000 ] - [ -0.0000477400000000, -0.0001624100000000, 0.0001014500000000 ] - [ 0.0000032600000000, -0.0001644400000000, 0.0001217900000000 ] - [ 0.0000287700000000, -0.0002904300000000, 0.0000821200000000 ] - [ -0.0000122700000000, -0.0002535900000000, 0.0000965100000000 ] - [ -0.0000628200000000, -0.0000959800000000, -0.0000278100000000 ] - [ -0.0000102800000000, -0.0001515500000000, -0.0000112200000000 ] - [ -0.0000046700000000, -0.0003359400000000, -0.0004172200000000 ] - [ -0.0000310200000000, -0.0000511200000000, -0.0000159400000000 ] - [ 0.0000412500000000, 0.0005324000000000, -0.0000883000000000 ] - [ 0.0001509100000000, 0.0006330800000000, -0.0000536200000000 ] - [ -0.0000210400000000, -0.0000710100000000, -0.0000675300000000 ] - [ 0.0000429300000000, 0.0001913100000000, 0.0003540100000000 ] - [ 0.0008296400000000, -0.0004759600000000, -0.0002735900000000 ] - [ 0.0002359300000000, -0.0003190600000000, -0.0001159900000000 ] - [ 0.0004460900000000, -0.0000625300000000, -0.0000694300000000 ] - [ 0.0004947500000000, -0.0000818400000000, -0.0000945100000000 ] - [ -0.0003105100000000, -0.0001326800000000, -0.0001280100000000 ] - [ -0.0005096800000000, 0.0000106900000000, 0.0000451000000000 ] - [ -0.0008448800000000, -0.0000582600000000, 0.0028148400000000 ] - [ -0.0004721700000000, -0.0000068400000000, 0.0001026200000000 ] - [ -0.0002703800000000, -0.0016382700000000, -0.0000208000000000 ] - [ -0.0002328300000000, 0.0000477100000000, 0.0001669100000000 ] - [ -0.0002544400000000, 0.0000905900000000, 0.0001444200000000 ] - [ -0.0002054900000000, 0.0000653300000000, 0.0001814400000000 ] - [ 0.0001671000000000, 0.0003581400000000, 0.0008774100000000 ] - [ 0.0002211900000000, 0.0001191000000000, -0.0001653300000000 ] - [ 0.0002016300000000, 0.0002044800000000, -0.0001336600000000 ] - [ 0.0000985600000000, 0.0000725500000000, -0.0002916500000000 ] - [ -0.0012452500000000, -0.0008256400000000, -0.0013226200000000 ] - [ -0.0003054200000000, -0.0002003300000000, 0.0001461100000000 ] - [ -0.0002536100000000, -0.0002279500000000, 0.0001716600000000 ] - [ -0.0000931700000000, -0.0001544100000000, 0.0001452700000000 ] - [ 0.0002771600000000, -0.0005370400000000, 0.0000316200000000 ] - [ 0.0003463500000000, -0.0002359000000000, -0.0001364700000000 ] - [ 0.0003020200000000, -0.0002482100000000, -0.0001928600000000 ] - [ 0.0002829000000000, -0.0002348100000000, -0.0001282600000000 ] - [ 0.0003275200000000, -0.0005468000000000, 0.0005014700000000 ] - [ 0.0003547500000000, 0.0001112200000000, 0.0002660100000000 ] - [ 0.0004130300000000, 0.0001111200000000, 0.0002964300000000 ] - [ 0.0004015000000000, 0.0001483900000000, 0.0002714300000000 ] - [ -0.0002928700000000, 0.0002052300000000, -0.0004486600000000 ] - [ -0.0001345700000000, 0.0001229800000000, -0.0003413500000000 ] - [ -0.0004298400000000, 0.0001866700000000, -0.0002827500000000 ] - [ -0.0038770200000000, 0.0019631000000000, -0.0007193900000000 ] - [ -0.0057368100000000, -0.0069091800000000, 0.0018025300000000 ] - [ -0.0000764600000000, 0.0000057900000000, 0.0000518600000000 ] - [ -0.0000308200000000, 0.0000590700000000, 0.0000907800000000 ] - [ 0.0000562900000000, 0.0001983000000000, 0.0000702800000000 ] - [ -0.0000468200000000, 0.0002254400000000, 0.0001538600000000 ] - [ -0.0001106900000000, 0.0001967500000000, 0.0000205400000000 ] - [ 0.0000812400000000, 0.0001387600000000, -0.0000810300000000 ] - [ -0.0001192300000000, 0.0003765100000000, -0.0001975000000000 ] - [ 0.0075085500000000, -0.0095863100000000, 0.0032222200000000 ] - [ -0.0003110600000000, -0.0002054900000000, -0.0000203200000000 ] - [ -0.0003159600000000, -0.0000702200000000, 0.0000353700000000 ] - [ -0.0004430600000000, -0.0001688200000000, 0.0000560200000000 ] - [ 0.0004214700000000, 0.0001055200000000, 0.0001317800000000 ] - [ 0.0004593600000000, -0.0000240800000000, 0.0000710300000000 ] - [ 0.0005631700000000, 0.0002154700000000, -0.0002506000000000 ] - [ 0.0002269100000000, -0.0001319000000000, -0.0001022700000000 ] - [ 0.0001778400000000, 0.0002725900000000, 0.0001945400000000 ] - [ -0.0000262200000000, 0.0002319200000000, 0.0003220800000000 ] - [ -0.0009443000000000, 0.0001521300000000, 0.0013299300000000 ] - [ 0.0001582300000000, 0.0002523100000000, 0.0004059000000000 ] - [ -0.0072252700000000, -0.0071547700000000, 0.0025511700000000 ] - [ -0.0002499300000000, 0.0001361900000000, -0.0003566700000000 ] - [ 0.0000128000000000, 0.0001788100000000, -0.0002704700000000 ] - [ -0.0001490300000000, 0.0001985600000000, -0.0003690100000000 ] - [ -0.0001511300000000, 0.0001836200000000, -0.0004028100000000 ] - [ -0.0000788200000000, -0.0000009200000000, -0.0003573100000000 ] - [ -0.0001768500000000, 0.0000290700000000, -0.0002168400000000 ] - [ 0.0008580200000000, 0.0002203800000000, 0.0006451800000000 ] - [ 0.0072206600000000, -0.0067048500000000, 0.0032512100000000 ] - [ 0.0002636600000000, -0.0000389400000000, 0.0002788700000000 ] - [ 0.0001109500000000, 0.0000500100000000, 0.0003677500000000 ] - [ 0.0001030200000000, -0.0000387900000000, 0.0003517000000000 ]- atom: 65 displacement: [ -0.0045549923526468, 0.0000000000000000, 0.0089023617466001 ] forces: - [ -0.0005051400000000, 0.0000939800000000, 0.0001334800000000 ] - [ -0.0001684200000000, 0.0001098800000000, -0.0001002400000000 ] - [ -0.0002398400000000, -0.0000466900000000, -0.0003008900000000 ] - [ -0.0005814600000000, -0.0000879400000000, -0.0003823400000000 ] - [ 0.0000072100000000, -0.0000216200000000, -0.0003067800000000 ] - [ 0.0001539800000000, 0.0000554500000000, -0.0002408600000000 ] - [ 0.0002332000000000, 0.0002346200000000, -0.0000673000000000 ] - [ 0.0001557600000000, -0.0001583900000000, -0.0002584100000000 ] - [ -0.0003590400000000, 0.0206458400000000, 0.0501225200000000 ] - [ 0.0002293900000000, -0.0000143900000000, 0.0001694100000000 ] - [ 0.0000605900000000, -0.0002023500000000, 0.0001501800000000 ] - [ -0.0003301800000000, 0.0000228400000000, 0.0002488800000000 ] - [ 0.0016771800000000, 0.0010474700000000, -0.0002621300000000 ] - [ 0.0003207900000000, 0.0000628100000000, -0.0001121900000000 ] - [ 0.0020479500000000, 0.0016007300000000, -0.0013260900000000 ] - [ 0.0005802100000000, -0.0000975500000000, 0.0001175000000000 ] - [ -0.0000081600000000, -0.0006861900000000, -0.0002656300000000 ] - [ 0.0003287900000000, -0.0002671000000000, 0.0000572100000000 ] - [ 0.0022644500000000, -0.0003080500000000, -0.0000893900000000 ] - [ 0.0006544600000000, -0.0004364400000000, 0.0005524600000000 ] - [ -0.0006207600000000, -0.0007779400000000, 0.0009278200000000 ] - [ -0.0000885300000000, -0.0001971800000000, -0.0000577300000000 ] - [ -0.0002564000000000, -0.0000410100000000, -0.0002709000000000 ] - [ -0.0005085200000000, -0.0002375700000000, -0.0001008800000000 ] - [ 0.0003868300000000, 0.0000661400000000, 0.0002525000000000 ] - [ 0.0002514900000000, -0.0000959700000000, 0.0003613200000000 ] - [ 0.0004048000000000, -0.0004678700000000, 0.0002100200000000 ] - [ 0.0001845100000000, -0.0001681400000000, 0.0002661500000000 ] - [ -0.0005297600000000, 0.0002302800000000, 0.0006138000000000 ] - [ 0.0001842600000000, -0.0001761100000000, -0.0003775000000000 ] - [ 0.0001103200000000, -0.0002336500000000, -0.0002768400000000 ] - [ -0.0008223000000000, -0.0002085300000000, -0.0006330700000000 ] - [ -0.0022520300000000, -0.0001246300000000, 0.0022359400000000 ] - [ -0.0003000000000000, 0.0001577100000000, 0.0000159800000000 ] - [ -0.0021852900000000, -0.0007332500000000, 0.0015464600000000 ] - [ -0.0002420700000000, 0.0002300100000000, -0.0002966500000000 ] - [ 0.0003244800000000, 0.0003924600000000, -0.0000992400000000 ] - [ -0.0000026100000000, 0.0001426700000000, 0.0000082300000000 ] - [ 0.0000009200000000, 0.0002124000000000, 0.0001831800000000 ] - [ 0.0001933700000000, 0.0002285600000000, 0.0001566700000000 ] - [ 0.0003619600000000, -0.0000910300000000, -0.0001828000000000 ] - [ -0.0001052100000000, 0.0001780000000000, -0.0000515100000000 ] - [ -0.0000132100000000, 0.0002032000000000, 0.0001594400000000 ] - [ 0.0002693500000000, 0.0002588800000000, 0.0001389600000000 ] - [ -0.0002856900000000, -0.0000701200000000, 0.0003095500000000 ] - [ 0.0001896100000000, 0.0001689900000000, 0.0000706800000000 ] - [ -0.0022306200000000, 0.0001071400000000, 0.0018085400000000 ] - [ -0.0001424600000000, 0.0002689400000000, -0.0000447200000000 ] - [ -0.0000180200000000, 0.0001148700000000, -0.0002966000000000 ] - [ -0.0000964500000000, 0.0001822400000000, 0.0000194700000000 ] - [ -0.0000631700000000, -0.0000208800000000, 0.0000453200000000 ] - [ 0.0001960100000000, -0.0000472400000000, 0.0003220700000000 ] - [ 0.0006336700000000, 0.0023527700000000, -0.0029502700000000 ] - [ -0.0000023900000000, -0.0001508400000000, -0.0001367000000000 ] - [ 0.0000243800000000, -0.0003214700000000, 0.0002943400000000 ] - [ 0.0002225200000000, -0.0001857800000000, -0.0000271100000000 ] - [ -0.0005319500000000, -0.0001179400000000, 0.0004658900000000 ] - [ -0.0000375000000000, 0.0001486700000000, 0.0000029700000000 ] - [ -0.0001673600000000, 0.0007194500000000, 0.0006401000000000 ] - [ -0.0001368600000000, 0.0002107600000000, 0.0000428600000000 ] - [ -0.0001153600000000, -0.0001405300000000, 0.0002084100000000 ] - [ -0.0001665200000000, -0.0002214700000000, 0.0001792700000000 ] - [ -0.0003656500000000, -0.0004538000000000, 0.0000007200000000 ] - [ -0.0004548400000000, -0.0000731100000000, -0.0002770500000000 ] - [ 0.0117281400000000, -0.0141081000000000, -0.0587515100000000 ] - [ -0.0000856600000000, -0.0001165800000000, -0.0001887900000000 ] - [ 0.0000313900000000, -0.0002042200000000, -0.0000501600000000 ] - [ 0.0000816100000000, -0.0001064100000000, -0.0001497000000000 ] - [ -0.0000151300000000, -0.0001298400000000, 0.0002694600000000 ] - [ -0.0000493200000000, -0.0001354700000000, 0.0002157600000000 ] - [ -0.0000847400000000, -0.0001822400000000, 0.0000631600000000 ] - [ -0.0000051500000000, -0.0001505900000000, 0.0000516300000000 ] - [ -0.0000615200000000, -0.0000654500000000, 0.0000050900000000 ] - [ 0.0000026200000000, -0.0000453800000000, -0.0000254800000000 ] - [ -0.0000315800000000, -0.0000040400000000, 0.0000511000000000 ] - [ -0.0000695000000000, -0.0000225900000000, -0.0000094700000000 ] - [ 0.0000872700000000, 0.0000030600000000, -0.0003403200000000 ] - [ -0.0004946600000000, 0.0000617800000000, -0.0002710000000000 ] - [ -0.0000822600000000, 0.0001134600000000, 0.0001666100000000 ] - [ 0.0002412600000000, -0.0000312800000000, 0.0003408700000000 ] - [ 0.0005786300000000, -0.0001272900000000, -0.0003579400000000 ] - [ 0.0001534700000000, -0.0003222300000000, -0.0002875400000000 ] - [ 0.0004217700000000, -0.0001632900000000, 0.0000775200000000 ] - [ 0.0004868100000000, -0.0000948000000000, 0.0000618900000000 ] - [ -0.0009855100000000, 0.0001334300000000, 0.0004904600000000 ] - [ -0.0003765000000000, -0.0000911700000000, 0.0000560800000000 ] - [ -0.0002898900000000, -0.0009451700000000, 0.0014577000000000 ] - [ -0.0005497000000000, -0.0000770700000000, 0.0000454100000000 ] - [ -0.0000812900000000, 0.0013541700000000, -0.0005084700000000 ] - [ -0.0002915200000000, 0.0000527800000000, 0.0001538300000000 ] - [ -0.0002156100000000, -0.0001254300000000, 0.0003621300000000 ] - [ -0.0001814900000000, 0.0000810400000000, 0.0001496600000000 ] - [ 0.0005465900000000, -0.0001721000000000, 0.0012454000000000 ] - [ 0.0001825600000000, 0.0001027800000000, -0.0000901500000000 ] - [ 0.0000078600000000, 0.0004890000000000, 0.0000845100000000 ] - [ 0.0002633900000000, 0.0000833700000000, -0.0003185600000000 ] - [ 0.0021119600000000, 0.0009299600000000, 0.0030769000000000 ] - [ -0.0002598400000000, -0.0001942100000000, 0.0000363900000000 ] - [ -0.0010042500000000, -0.0001578900000000, 0.0002486100000000 ] - [ 0.0001318800000000, -0.0001790100000000, 0.0002238300000000 ] - [ 0.0003540800000000, -0.0008410800000000, 0.0001657000000000 ] - [ 0.0002601400000000, -0.0001931400000000, -0.0001252800000000 ] - [ 0.0001813100000000, -0.0001821600000000, -0.0001031000000000 ] - [ 0.0002487800000000, -0.0001947800000000, -0.0001423900000000 ] - [ 0.0005356700000000, 0.0005170700000000, 0.0000760300000000 ] - [ 0.0002420900000000, 0.0001262400000000, 0.0002237700000000 ] - [ 0.0003055600000000, 0.0001837300000000, 0.0003637400000000 ] - [ 0.0005682100000000, 0.0001684100000000, 0.0003736800000000 ] - [ -0.0000103100000000, 0.0001341200000000, -0.0000701300000000 ] - [ -0.0007501900000000, 0.0001911800000000, -0.0001932400000000 ] - [ -0.0007350100000000, 0.0002177000000000, -0.0003983500000000 ] - [ 0.0020667300000000, -0.0013628000000000, -0.0041744700000000 ] - [ -0.0038235300000000, -0.0032768800000000, 0.0015247900000000 ] - [ 0.0000589700000000, 0.0000650700000000, 0.0001128500000000 ] - [ 0.0001470500000000, -0.0000712100000000, -0.0003954300000000 ] - [ 0.0000005000000000, 0.0000980200000000, -0.0000413000000000 ] - [ -0.0001654700000000, 0.0000248100000000, -0.0000880900000000 ] - [ 0.0001593300000000, 0.0000855000000000, -0.0000353800000000 ] - [ 0.0000988000000000, 0.0002326300000000, 0.0000200100000000 ] - [ -0.0004276400000000, 0.0002814400000000, 0.0000669200000000 ] - [ -0.0022361100000000, 0.0012495600000000, -0.0002321700000000 ] - [ -0.0001156400000000, -0.0001224800000000, 0.0000388200000000 ] - [ -0.0002634800000000, -0.0001813700000000, -0.0003091000000000 ] - [ -0.0006514900000000, -0.0001594500000000, -0.0001236300000000 ] - [ 0.0003520100000000, -0.0002298100000000, -0.0000368400000000 ] - [ 0.0004064100000000, -0.0001231100000000, 0.0000002800000000 ] - [ 0.0006075800000000, 0.0004305900000000, -0.0000477300000000 ] - [ 0.0004677200000000, -0.0001202100000000, 0.0001375100000000 ] - [ 0.0002110500000000, 0.0004514500000000, 0.0001186000000000 ] - [ 0.0000640500000000, 0.0002262100000000, 0.0003087700000000 ] - [ 0.0003062100000000, -0.0003345500000000, 0.0004256700000000 ] - [ 0.0001863500000000, 0.0001510500000000, 0.0004714600000000 ] - [ -0.0076233600000000, -0.0069022800000000, 0.0030382300000000 ] - [ 0.0000837100000000, 0.0001973700000000, -0.0003362400000000 ] - [ -0.0001264600000000, 0.0001578300000000, -0.0007447400000000 ] - [ -0.0002296100000000, 0.0001978500000000, -0.0005496600000000 ] - [ -0.0003865600000000, 0.0001850700000000, -0.0004368300000000 ] - [ 0.0000805700000000, 0.0000478800000000, -0.0003995900000000 ] - [ 0.0000294100000000, -0.0000750600000000, -0.0002000800000000 ] - [ -0.0003042700000000, 0.0002377600000000, 0.0000409300000000 ] - [ -0.0003301800000000, 0.0001328200000000, 0.0005066800000000 ] - [ 0.0002667200000000, 0.0000396600000000, 0.0003641900000000 ] - [ 0.0002367900000000, 0.0001209300000000, -0.0001996500000000 ] - [ 0.0000928000000000, 0.0000004500000000, 0.0001733900000000 ]- atom: 65 displacement: [ 0.0045549923526468, 0.0000000000000000, -0.0089023617466001 ] forces: - [ -0.0002800200000000, -0.0002847400000000, -0.0004310500000000 ] - [ -0.0006173400000000, -0.0002993300000000, -0.0001963200000000 ] - [ -0.0005486800000000, -0.0001421900000000, -0.0000006700000000 ] - [ -0.0002040400000000, -0.0001028800000000, 0.0000830200000000 ] - [ 0.0001526900000000, 0.0000353600000000, -0.0000632900000000 ] - [ 0.0000073200000000, -0.0000430300000000, -0.0001313800000000 ] - [ -0.0000693800000000, -0.0002190900000000, -0.0003035900000000 ] - [ 0.0000045400000000, 0.0001720800000000, -0.0001153400000000 ] - [ -0.0002344400000000, -0.0214813400000000, -0.0509883100000000 ] - [ -0.0003901200000000, 0.0000245200000000, 0.0002028800000000 ] - [ -0.0002236000000000, 0.0002115200000000, 0.0002224900000000 ] - [ 0.0001676900000000, -0.0000118000000000, 0.0001248100000000 ] - [ -0.0008978300000000, -0.0012299500000000, 0.0005813600000000 ] - [ 0.0004647900000000, -0.0002435200000000, 0.0003962700000000 ] - [ -0.0012980800000000, -0.0017999600000000, 0.0016183800000000 ] - [ 0.0002057600000000, -0.0000915300000000, 0.0001831500000000 ] - [ 0.0006692100000000, 0.0002467000000000, 0.0004165000000000 ] - [ 0.0003218300000000, -0.0001658800000000, 0.0000877600000000 ] - [ -0.0016187800000000, -0.0001333100000000, 0.0002408500000000 ] - [ -0.0000107300000000, 0.0000142700000000, -0.0004183000000000 ] - [ -0.0000375700000000, 0.0003482500000000, -0.0010692700000000 ] - [ -0.0005629800000000, -0.0002394000000000, -0.0000846100000000 ] - [ -0.0004008500000000, -0.0003939300000000, 0.0001280800000000 ] - [ -0.0001464200000000, -0.0001967800000000, -0.0000431400000000 ] - [ 0.0000249800000000, -0.0003687900000000, 0.0004093800000000 ] - [ 0.0001589600000000, -0.0002108300000000, 0.0002969400000000 ] - [ 0.0000060000000000, 0.0001695900000000, 0.0004456100000000 ] - [ 0.0002248500000000, -0.0001356000000000, 0.0003938000000000 ] - [ 0.0001350100000000, -0.0005228800000000, -0.0012353400000000 ] - [ -0.0005947900000000, -0.0001283200000000, -0.0002771700000000 ] - [ -0.0005243500000000, -0.0000713200000000, -0.0003845000000000 ] - [ 0.0004119300000000, -0.0000964400000000, -0.0000233100000000 ] - [ 0.0020041400000000, 0.0005013100000000, -0.0023803300000000 ] - [ 0.0000648500000000, 0.0002180000000000, -0.0001713700000000 ] - [ 0.0019584300000000, 0.0011176800000000, -0.0017067800000000 ] - [ 0.0000201800000000, 0.0001448300000000, 0.0001419600000000 ] - [ -0.0000924100000000, -0.0000107300000000, 0.0002582000000000 ] - [ 0.0002331900000000, 0.0002347700000000, 0.0001504500000000 ] - [ 0.0002303400000000, 0.0001652100000000, -0.0000234200000000 ] - [ 0.0000373800000000, 0.0001494300000000, 0.0000034700000000 ] - [ -0.0001714500000000, 0.0005347000000000, 0.0002045800000000 ] - [ 0.0002945500000000, 0.0002693800000000, 0.0000729400000000 ] - [ 0.0002047500000000, 0.0002445300000000, -0.0001359600000000 ] - [ -0.0000795200000000, 0.0001889800000000, -0.0001152900000000 ] - [ 0.0000941600000000, 0.0005144900000000, -0.0003321000000000 ] - [ -0.0003715100000000, 0.0002773900000000, -0.0000923600000000 ] - [ 0.0021056200000000, 0.0003445100000000, -0.0018629600000000 ] - [ -0.0000480300000000, 0.0001788800000000, 0.0000218600000000 ] - [ 0.0001876600000000, 0.0002214500000000, 0.0002671000000000 ] - [ 0.0002690700000000, 0.0001573900000000, -0.0000507100000000 ] - [ 0.0002349400000000, 0.0003586300000000, -0.0000710300000000 ] - [ -0.0000257800000000, 0.0003863000000000, -0.0003477200000000 ] - [ -0.0003939200000000, -0.0027409900000000, 0.0028009000000000 ] - [ 0.0002477200000000, -0.0002425500000000, -0.0000359100000000 ] - [ 0.0002225000000000, -0.0000770700000000, -0.0004633400000000 ] - [ 0.0000229000000000, -0.0002085600000000, -0.0001438800000000 ] - [ 0.0003623300000000, 0.0004554000000000, -0.0004401500000000 ] - [ -0.0001392800000000, 0.0001895000000000, 0.0000177800000000 ] - [ -0.0000028400000000, -0.0003885500000000, -0.0006158900000000 ] - [ -0.0000336200000000, 0.0001269300000000, -0.0000154400000000 ] - [ -0.0001304900000000, -0.0002544500000000, -0.0000370700000000 ] - [ -0.0000788000000000, -0.0001721000000000, -0.0000070900000000 ] - [ 0.0001128600000000, 0.0000567300000000, 0.0001782900000000 ] - [ 0.0002125400000000, -0.0003224700000000, 0.0004524700000000 ] - [ -0.0113600400000000, 0.0146893600000000, 0.0596006600000000 ] - [ 0.0000955600000000, -0.0001021000000000, -0.0001063200000000 ] - [ -0.0000189000000000, -0.0000143800000000, -0.0002446100000000 ] - [ -0.0000716700000000, -0.0001125000000000, -0.0001431900000000 ] - [ 0.0000042900000000, -0.0000886300000000, 0.0000236700000000 ] - [ 0.0000390900000000, -0.0000833800000000, 0.0000782800000000 ] - [ 0.0000739900000000, -0.0000369000000000, 0.0002311700000000 ] - [ -0.0000047600000000, -0.0000683100000000, 0.0002417900000000 ] - [ -0.0000044800000000, 0.0000190500000000, -0.0000313100000000 ] - [ -0.0000688300000000, 0.0000007300000000, -0.0000013100000000 ] - [ -0.0000350900000000, -0.0000390700000000, -0.0000735100000000 ] - [ 0.0000036100000000, -0.0000230500000000, -0.0000162400000000 ] - [ -0.0000303200000000, -0.0000504000000000, 0.0003630700000000 ] - [ 0.0005657900000000, -0.0001067600000000, 0.0002867500000000 ] - [ 0.0001519800000000, -0.0001591300000000, -0.0001400500000000 ] - [ -0.0001713400000000, -0.0000171700000000, -0.0003159700000000 ] - [ 0.0003687000000000, 0.0000060700000000, 0.0002203700000000 ] - [ 0.0007945600000000, 0.0001980700000000, 0.0001466600000000 ] - [ 0.0005278100000000, 0.0000383800000000, -0.0002139600000000 ] - [ 0.0004620400000000, -0.0000302900000000, -0.0001986500000000 ] - [ 0.0000302000000000, -0.0002545700000000, -0.0003499400000000 ] - [ -0.0005721900000000, -0.0000335800000000, 0.0000810100000000 ] - [ -0.0006563000000000, 0.0008431500000000, -0.0013456100000000 ] - [ -0.0003988300000000, -0.0000472400000000, 0.0000918600000000 ] - [ -0.0003656900000000, -0.0012025800000000, 0.0007825200000000 ] - [ -0.0001535700000000, 0.0001057900000000, 0.0001319300000000 ] - [ -0.0002296000000000, 0.0002821300000000, -0.0000742300000000 ] - [ -0.0002633800000000, 0.0000766700000000, 0.0001374400000000 ] - [ -0.0000969900000000, 0.0003272000000000, -0.0015188100000000 ] - [ 0.0002627500000000, 0.0000545900000000, -0.0001956700000000 ] - [ 0.0004380500000000, -0.0003337800000000, -0.0003698600000000 ] - [ 0.0001854800000000, 0.0000765400000000, 0.0000394600000000 ] - [ -0.0025814800000000, -0.0013206400000000, -0.0028199900000000 ] - [ -0.0002645300000000, -0.0002000500000000, 0.0002281300000000 ] - [ 0.0004818300000000, -0.0002348800000000, 0.0000201500000000 ] - [ -0.0006604400000000, -0.0002143000000000, 0.0000430100000000 ] - [ 0.0001756900000000, 0.0004429700000000, -0.0004305000000000 ] - [ 0.0002658600000000, -0.0001997700000000, -0.0001408800000000 ] - [ 0.0003454000000000, -0.0002118700000000, -0.0001624100000000 ] - [ 0.0002785700000000, -0.0001983100000000, -0.0001233300000000 ] - [ 0.0002766600000000, -0.0001878000000000, 0.0005029400000000 ] - [ 0.0005686000000000, 0.0002048200000000, 0.0003529700000000 ] - [ 0.0005064200000000, 0.0001482000000000, 0.0002139800000000 ] - [ 0.0002453200000000, 0.0001631400000000, 0.0002040900000000 ] - [ -0.0007998800000000, 0.0001972100000000, -0.0005069500000000 ] - [ -0.0000656700000000, 0.0001419700000000, -0.0003833600000000 ] - [ -0.0000773700000000, 0.0001142500000000, -0.0001785400000000 ] - [ -0.0028644300000000, 0.0017121300000000, 0.0036299700000000 ] - [ 0.0037446800000000, 0.0033904800000000, -0.0014774300000000 ] - [ -0.0000121400000000, 0.0001717300000000, -0.0000892800000000 ] - [ -0.0001021200000000, 0.0003064500000000, 0.0004165500000000 ] - [ 0.0000432500000000, 0.0001372000000000, 0.0000606400000000 ] - [ 0.0001229000000000, 0.0002074400000000, 0.0000652700000000 ] - [ -0.0002036700000000, 0.0001503100000000, 0.0000139800000000 ] - [ -0.0001428900000000, 0.0000042900000000, -0.0000440700000000 ] - [ 0.0003839300000000, -0.0000451500000000, -0.0000921600000000 ] - [ 0.0014338700000000, -0.0014363600000000, 0.0002051200000000 ] - [ -0.0006425200000000, -0.0001044500000000, -0.0000719400000000 ] - [ -0.0004957300000000, -0.0000444100000000, 0.0002733300000000 ] - [ -0.0001046500000000, -0.0000664900000000, 0.0000872700000000 ] - [ 0.0004047600000000, 0.0000058300000000, 0.0000736300000000 ] - [ 0.0003513900000000, -0.0001052800000000, 0.0000346300000000 ] - [ 0.0001492200000000, -0.0006568400000000, 0.0000805100000000 ] - [ 0.0002893500000000, -0.0001041300000000, -0.0001036300000000 ] - [ -0.0000270700000000, -0.0000571300000000, 0.0006439700000000 ] - [ 0.0001214000000000, 0.0001656700000000, 0.0004536100000000 ] - [ -0.0001204300000000, 0.0007288800000000, 0.0003294600000000 ] - [ -0.0000033900000000, 0.0002394700000000, 0.0002909900000000 ] - [ 0.0075463500000000, 0.0074240900000000, -0.0038014400000000 ] - [ -0.0002688400000000, 0.0001949800000000, -0.0004241100000000 ] - [ -0.0000588300000000, 0.0002330300000000, -0.0000181500000000 ] - [ 0.0000457900000000, 0.0001940400000000, -0.0002132900000000 ] - [ 0.0001442200000000, -0.0001480700000000, -0.0001172400000000 ] - [ -0.0003203700000000, -0.0000100800000000, -0.0001542700000000 ] - [ -0.0002694100000000, 0.0001117700000000, -0.0003559800000000 ] - [ 0.0000701800000000, -0.0001996600000000, -0.0005973900000000 ] - [ 0.0006131300000000, -0.0001361100000000, 0.0000541600000000 ] - [ -0.0000251100000000, -0.0000027100000000, 0.0001924100000000 ] - [ 0.0000041200000000, -0.0000843900000000, 0.0007519600000000 ] - [ 0.0001481700000000, 0.0000362100000000, 0.0003793200000000 ]- atom: 73 displacement: [ 0.0099999730884809, 0.0000000000000000, -0.0000231997770880 ] forces: - [ -0.0009663900000000, -0.0002480100000000, -0.0003893500000000 ] - [ -0.0009727600000000, -0.0013288700000000, -0.0022610700000000 ] - [ -0.0003492800000000, 0.0002091200000000, 0.0000815500000000 ] - [ -0.0003205000000000, -0.0005359500000000, -0.0003487300000000 ] - [ -0.0000777800000000, 0.0000257800000000, -0.0008680100000000 ] - [ 0.0010568700000000, 0.0001270600000000, 0.0014282400000000 ] - [ -0.0005710800000000, 0.0000855900000000, 0.0000199500000000 ] - [ 0.0005315400000000, -0.0000962100000000, -0.0003248800000000 ] - [ 0.0001229100000000, -0.0001141500000000, 0.0002791100000000 ] - [ -0.0001957800000000, 0.0000972100000000, 0.0001118200000000 ] - [ 0.0004718900000000, -0.0000615500000000, 0.0002792800000000 ] - [ -0.0002675700000000, 0.0000071400000000, 0.0002126200000000 ] - [ 0.0010831300000000, -0.0001113500000000, 0.0000277300000000 ] - [ 0.0001777800000000, -0.0000538300000000, 0.0001637000000000 ] - [ 0.0003552900000000, -0.0001494000000000, 0.0002567000000000 ] - [ 0.0004286700000000, -0.0000414400000000, -0.0000548200000000 ] - [ 0.0000884700000000, -0.0005028700000000, -0.0001349900000000 ] - [ 0.0000714600000000, 0.0000844200000000, 0.0002550100000000 ] - [ 0.0002231100000000, -0.0002182800000000, -0.0000300600000000 ] - [ 0.0004260300000000, -0.0002075500000000, 0.0001054600000000 ] - [ -0.0013638100000000, 0.0004447100000000, 0.0004968000000000 ] - [ -0.0013878000000000, -0.0010719900000000, -0.0005198600000000 ] - [ -0.0004169500000000, -0.0006064400000000, -0.0003412600000000 ] - [ -0.0005129500000000, -0.0002172500000000, -0.0002955600000000 ] - [ 0.0077634500000000, 0.0025862400000000, -0.0041279100000000 ] - [ -0.0001107100000000, -0.0001202500000000, 0.0002776700000000 ] - [ 0.0003124800000000, -0.0001771100000000, 0.0004068400000000 ] - [ 0.0002098800000000, -0.0000966600000000, 0.0001245200000000 ] - [ -0.0003905400000000, -0.0001676500000000, -0.0003276200000000 ] - [ 0.0002873400000000, -0.0000816100000000, -0.0004317000000000 ] - [ -0.0002125900000000, -0.0001826000000000, -0.0003961400000000 ] - [ -0.0001761200000000, -0.0000889600000000, -0.0002972400000000 ] - [ -0.0003484800000000, -0.0006871700000000, -0.0000724300000000 ] - [ 0.0000850200000000, 0.0001182600000000, -0.0000875600000000 ] - [ -0.0000544700000000, 0.0001846400000000, -0.0000640000000000 ] - [ -0.0002023100000000, 0.0001622900000000, -0.0000244900000000 ] - [ 0.0001491100000000, 0.0002187600000000, 0.0000271100000000 ] - [ 0.0018183100000000, 0.0007835200000000, 0.0023456600000000 ] - [ 0.0004374500000000, 0.0005124800000000, 0.0003544300000000 ] - [ 0.0002056700000000, 0.0002899500000000, 0.0000372800000000 ] - [ 0.0011988700000000, 0.0000664300000000, -0.0005719500000000 ] - [ 0.0003991100000000, 0.0005826300000000, 0.0011534800000000 ] - [ -0.0003046200000000, -0.0002697800000000, 0.0013630200000000 ] - [ -0.0000723700000000, 0.0002298300000000, 0.0002101300000000 ] - [ -0.0003286200000000, 0.0010273200000000, 0.0000512300000000 ] - [ 0.0000840300000000, 0.0001810800000000, -0.0000740100000000 ] - [ -0.0001203300000000, 0.0002532500000000, -0.0000304700000000 ] - [ -0.0000638000000000, 0.0002250300000000, 0.0000502800000000 ] - [ 0.0002539000000000, 0.0001542300000000, 0.0000062900000000 ] - [ -0.0006551000000000, 0.0001546800000000, -0.0000879100000000 ] - [ 0.0001106400000000, 0.0001823200000000, 0.0000642500000000 ] - [ 0.0000252000000000, 0.0001399300000000, -0.0000337500000000 ] - [ 0.0000725800000000, -0.0000517900000000, -0.0002957600000000 ] - [ 0.0001972400000000, -0.0003647600000000, 0.0000254100000000 ] - [ -0.0004909700000000, -0.0003254700000000, -0.0002521400000000 ] - [ 0.0002316700000000, -0.0001743200000000, -0.0000864100000000 ] - [ -0.0020004700000000, 0.0009419700000000, -0.0000843100000000 ] - [ 0.0000890100000000, 0.0001708600000000, 0.0000423300000000 ] - [ -0.0001389000000000, 0.0001965000000000, -0.0000265300000000 ] - [ 0.0000321000000000, -0.0000030300000000, 0.0001297200000000 ] - [ 0.0002020900000000, -0.0002142400000000, 0.0006090800000000 ] - [ 0.0001379600000000, -0.0002290600000000, -0.0004344600000000 ] - [ 0.0000899400000000, -0.0001572800000000, 0.0000522100000000 ] - [ -0.0002680900000000, -0.0001612900000000, 0.0001374100000000 ] - [ -0.0000301800000000, -0.0000792300000000, -0.0001966900000000 ] - [ 0.0000394100000000, -0.0001322300000000, -0.0000895600000000 ] - [ -0.0000846800000000, -0.0001371900000000, -0.0001904800000000 ] - [ 0.0000916500000000, -0.0001113400000000, -0.0001432400000000 ] - [ 0.0004444700000000, -0.0000993400000000, 0.0004432200000000 ] - [ 0.0004355700000000, 0.0000088100000000, -0.0002215100000000 ] - [ 0.0002290600000000, -0.0001636400000000, 0.0001336500000000 ] - [ -0.0002107900000000, -0.0001021300000000, 0.0002723800000000 ] - [ -0.0382089800000000, -0.0044398000000000, 0.0096835600000000 ] - [ 0.0001430100000000, 0.0000003800000000, -0.0000158400000000 ] - [ -0.0000812100000000, -0.0000167100000000, -0.0000555200000000 ] - [ 0.0001867100000000, 0.0000729300000000, -0.0000494500000000 ] - [ 0.0001436000000000, -0.0000239700000000, 0.0000238700000000 ] - [ -0.0002841000000000, -0.0000206200000000, -0.0000113400000000 ] - [ 0.0000487600000000, -0.0000273500000000, 0.0000868000000000 ] - [ -0.0000604500000000, -0.0000526900000000, 0.0000008700000000 ] - [ 0.0006024700000000, -0.0000047500000000, -0.0000769500000000 ] - [ 0.0004670000000000, -0.0004373800000000, 0.0009039300000000 ] - [ 0.0006825500000000, -0.0001977200000000, 0.0005200500000000 ] - [ 0.0007047000000000, 0.0001790300000000, -0.0004112000000000 ] - [ -0.0011772200000000, 0.0001757200000000, 0.0003645600000000 ] - [ -0.0003683100000000, -0.0000899100000000, 0.0000505700000000 ] - [ -0.0004765400000000, -0.0000966900000000, 0.0000097800000000 ] - [ -0.0004770200000000, -0.0000123300000000, 0.0001804300000000 ] - [ 0.0000322900000000, 0.0001556200000000, -0.0002688500000000 ] - [ 0.0000021000000000, 0.0001632900000000, 0.0004665400000000 ] - [ -0.0002777600000000, -0.0001226200000000, 0.0003296700000000 ] - [ -0.0001650800000000, 0.0000617700000000, 0.0001756900000000 ] - [ 0.0005324900000000, 0.0003111500000000, -0.0003050900000000 ] - [ 0.0005156700000000, -0.0002955200000000, 0.0000274000000000 ] - [ 0.0002545300000000, 0.0001005900000000, -0.0001362700000000 ] - [ 0.0001896100000000, 0.0000771400000000, -0.0000992700000000 ] - [ -0.0000450000000000, -0.0002184200000000, 0.0001026200000000 ] - [ -0.0006654600000000, 0.0006382100000000, 0.0006314900000000 ] - [ -0.0002508000000000, -0.0002359600000000, 0.0001458100000000 ] - [ -0.0002772900000000, -0.0002234400000000, 0.0001214700000000 ] - [ 0.0038759300000000, 0.0026246600000000, -0.0066879900000000 ] - [ 0.0004336400000000, -0.0002052200000000, -0.0001524600000000 ] - [ 0.0001507800000000, -0.0001627000000000, -0.0001335700000000 ] - [ 0.0000576200000000, -0.0000836500000000, 0.0000695900000000 ] - [ 0.0000840900000000, 0.0002238100000000, 0.0002967000000000 ] - [ 0.0014133300000000, 0.0001552900000000, 0.0005365600000000 ] - [ -0.0014282300000000, 0.0004554600000000, -0.0017197100000000 ] - [ 0.0006921900000000, 0.0001246000000000, 0.0004090300000000 ] - [ -0.0002300000000000, 0.0001804500000000, -0.0002303400000000 ] - [ -0.0008638200000000, -0.0009203400000000, -0.0006864400000000 ] - [ -0.0002282000000000, 0.0001719000000000, -0.0002248000000000 ] - [ -0.0006134000000000, 0.0001462400000000, -0.0003383000000000 ] - [ 0.0008007300000000, -0.0004257200000000, 0.0004067000000000 ] - [ -0.0001978200000000, 0.0001225500000000, -0.0000670700000000 ] - [ 0.0000554200000000, 0.0000798900000000, 0.0001542000000000 ] - [ -0.0000380100000000, 0.0000797600000000, -0.0000766600000000 ] - [ -0.0004097200000000, 0.0002098500000000, 0.0000113600000000 ] - [ 0.0084493100000000, 0.0065684500000000, 0.0029677900000000 ] - [ -0.0001529200000000, 0.0001561500000000, -0.0002006000000000 ] - [ 0.0000463800000000, 0.0001263100000000, -0.0000236000000000 ] - [ -0.0005620800000000, -0.0001980000000000, 0.0000573800000000 ] - [ -0.0003174700000000, 0.0002875900000000, -0.0000610200000000 ] - [ -0.0002723000000000, -0.0002134700000000, -0.0000536600000000 ] - [ -0.0004106000000000, -0.0001002700000000, 0.0000245600000000 ] - [ 0.0082359500000000, -0.0051297700000000, -0.0027065300000000 ] - [ 0.0000174000000000, -0.0001106300000000, 0.0000663500000000 ] - [ 0.0004164900000000, -0.0000650000000000, 0.0000576000000000 ] - [ 0.0003761300000000, -0.0001276400000000, -0.0001576300000000 ] - [ 0.0054096200000000, 0.0036817300000000, 0.0012778000000000 ] - [ -0.0002092600000000, 0.0001951700000000, 0.0004441700000000 ] - [ 0.0000737500000000, 0.0000926100000000, 0.0004845200000000 ] - [ 0.0000013400000000, 0.0003563500000000, 0.0001935000000000 ] - [ -0.0002485600000000, 0.0003931700000000, -0.0003124100000000 ] - [ 0.0001047800000000, -0.0000086200000000, -0.0004874300000000 ] - [ -0.0000044500000000, 0.0002742300000000, -0.0005203300000000 ] - [ -0.0001718700000000, 0.0002382900000000, -0.0003145900000000 ] - [ -0.0004420900000000, -0.0000950400000000, -0.0003759000000000 ] - [ 0.0069098700000000, -0.0057496800000000, -0.0025490300000000 ] - [ -0.0002458200000000, -0.0000285900000000, -0.0003939500000000 ] - [ 0.0001517000000000, 0.0000140000000000, -0.0003252400000000 ] - [ 0.0003480100000000, 0.0000827400000000, 0.0004079200000000 ] - [ -0.0000983000000000, -0.0000510000000000, 0.0001998400000000 ] - [ 0.0003471400000000, 0.0006005900000000, 0.0003514900000000 ] - [ -0.0000005300000000, 0.0001048100000000, 0.0001681900000000 ]- atom: 73 displacement: [ -0.0099999730884809, 0.0000000000000000, 0.0000231997770880 ] forces: - [ 0.0001761100000000, 0.0000588300000000, 0.0000874600000000 ] - [ 0.0001867700000000, 0.0011460000000000, 0.0019604400000000 ] - [ -0.0004232100000000, -0.0003702400000000, -0.0003719000000000 ] - [ -0.0004702400000000, 0.0003410200000000, 0.0000401200000000 ] - [ 0.0002410400000000, -0.0000141200000000, 0.0004897000000000 ] - [ -0.0009417700000000, -0.0001152400000000, -0.0017865300000000 ] - [ 0.0007343600000000, -0.0000730700000000, -0.0003907300000000 ] - [ -0.0003700500000000, 0.0001117200000000, -0.0000460600000000 ] - [ -0.0002836600000000, 0.0001258300000000, 0.0000912100000000 ] - [ 0.0000335100000000, -0.0000859900000000, 0.0002590300000000 ] - [ -0.0006364400000000, 0.0000746300000000, 0.0000906000000000 ] - [ 0.0001067700000000, 0.0000040700000000, 0.0001572000000000 ] - [ -0.0002893100000000, -0.0000728300000000, 0.0002730600000000 ] - [ 0.0006114900000000, -0.0001338200000000, 0.0001364800000000 ] - [ 0.0004314200000000, -0.0000411500000000, 0.0000428000000000 ] - [ 0.0003604600000000, -0.0001482400000000, 0.0003549500000000 ] - [ 0.0005619000000000, 0.0000689100000000, 0.0002761800000000 ] - [ 0.0005818200000000, -0.0005193700000000, -0.0001138800000000 ] - [ 0.0004265000000000, -0.0002170900000000, 0.0001723600000000 ] - [ 0.0002238500000000, -0.0002275500000000, 0.0000352300000000 ] - [ 0.0007051800000000, -0.0008787700000000, -0.0006340500000000 ] - [ 0.0007345300000000, 0.0006409000000000, 0.0003744300000000 ] - [ -0.0002297200000000, 0.0001761500000000, 0.0002053300000000 ] - [ -0.0001394600000000, -0.0002156500000000, 0.0001544300000000 ] - [ -0.0074535800000000, -0.0029480700000000, 0.0048780900000000 ] - [ 0.0005198500000000, -0.0001831200000000, 0.0003845900000000 ] - [ 0.0000963600000000, -0.0001254900000000, 0.0002528400000000 ] - [ 0.0002099400000000, -0.0002094500000000, 0.0005384000000000 ] - [ -0.0000204600000000, -0.0001367200000000, -0.0003314100000000 ] - [ -0.0007031300000000, -0.0002248400000000, -0.0002224000000000 ] - [ -0.0001979100000000, -0.0001214400000000, -0.0002628700000000 ] - [ -0.0002352000000000, -0.0002157100000000, -0.0003625600000000 ] - [ 0.0001149300000000, 0.0010563900000000, -0.0000840400000000 ] - [ -0.0003166500000000, 0.0002598200000000, -0.0000716600000000 ] - [ -0.0001754100000000, 0.0001934400000000, -0.0000959300000000 ] - [ -0.0000286900000000, 0.0002157100000000, -0.0001347000000000 ] - [ 0.0000806200000000, 0.0001596300000000, 0.0001328600000000 ] - [ -0.0016052600000000, -0.0004143700000000, -0.0022000700000000 ] - [ -0.0002144500000000, -0.0001402200000000, -0.0002007000000000 ] - [ 0.0000204700000000, 0.0000891000000000, 0.0001226500000000 ] - [ -0.0010018800000000, 0.0003828100000000, 0.0005905500000000 ] - [ -0.0002070300000000, -0.0001359400000000, -0.0011336300000000 ] - [ 0.0004602500000000, 0.0006961500000000, -0.0013654800000000 ] - [ 0.0002638900000000, 0.0002175100000000, -0.0001819300000000 ] - [ 0.0001364600000000, -0.0005709200000000, -0.0000752300000000 ] - [ -0.0002751300000000, 0.0002666100000000, 0.0000510400000000 ] - [ -0.0000695500000000, 0.0001944600000000, 0.0000065100000000 ] - [ -0.0001283300000000, 0.0002230200000000, -0.0000739900000000 ] - [ -0.0000829000000000, 0.0001841300000000, -0.0000340000000000 ] - [ 0.0008268100000000, 0.0001977700000000, 0.0000674900000000 ] - [ 0.0000599100000000, 0.0001565000000000, -0.0000917900000000 ] - [ 0.0001470000000000, 0.0001997500000000, 0.0000054900000000 ] - [ 0.0001721700000000, -0.0003425500000000, 0.0001249400000000 ] - [ 0.0000484800000000, -0.0000304700000000, -0.0001958800000000 ] - [ 0.0007372200000000, -0.0000713800000000, 0.0000795700000000 ] - [ 0.0000133600000000, -0.0002205700000000, -0.0000842800000000 ] - [ 0.0018296700000000, -0.0006380600000000, 0.0001273400000000 ] - [ -0.0002604900000000, 0.0001674800000000, -0.0000148400000000 ] - [ -0.0000316100000000, 0.0001417800000000, 0.0000541800000000 ] - [ -0.0002080700000000, 0.0003384000000000, -0.0001058800000000 ] - [ -0.0004478300000000, -0.0001798100000000, -0.0004351000000000 ] - [ -0.0003813400000000, -0.0001690100000000, 0.0006056500000000 ] - [ -0.0003356600000000, -0.0002382300000000, 0.0001170400000000 ] - [ 0.0000228300000000, -0.0002341600000000, 0.0000338300000000 ] - [ 0.0000391400000000, -0.0001392400000000, -0.0000970600000000 ] - [ -0.0000294800000000, -0.0000861100000000, -0.0002048700000000 ] - [ 0.0000934300000000, -0.0000795400000000, -0.0001033800000000 ] - [ -0.0000826900000000, -0.0001072700000000, -0.0001504100000000 ] - [ -0.0004526000000000, -0.0001184800000000, -0.0001495900000000 ] - [ -0.0004315600000000, -0.0002288500000000, 0.0005243200000000 ] - [ -0.0002397100000000, -0.0000543000000000, 0.0001578500000000 ] - [ 0.0002012700000000, -0.0001175100000000, 0.0000219800000000 ] - [ 0.0383073500000000, 0.0045147500000000, -0.0096609000000000 ] - [ -0.0002081400000000, -0.0000462600000000, -0.0000091800000000 ] - [ 0.0000161800000000, -0.0000296600000000, 0.0000304200000000 ] - [ -0.0002553600000000, -0.0001183800000000, 0.0000227300000000 ] - [ -0.0000762700000000, -0.0000224200000000, 0.0000015300000000 ] - [ 0.0003524700000000, -0.0000235900000000, 0.0000372000000000 ] - [ 0.0000183300000000, -0.0000187600000000, -0.0000610800000000 ] - [ 0.0001297900000000, 0.0000070400000000, 0.0000240800000000 ] - [ 0.0003486200000000, -0.0001195200000000, -0.0000608800000000 ] - [ 0.0004834600000000, 0.0003130500000000, -0.0010452100000000 ] - [ 0.0002687900000000, 0.0000678000000000, -0.0006537700000000 ] - [ 0.0002463200000000, -0.0003047900000000, 0.0002747500000000 ] - [ 0.0002288400000000, -0.0003039900000000, -0.0002264600000000 ] - [ -0.0005819100000000, -0.0000356500000000, 0.0000862700000000 ] - [ -0.0004735500000000, -0.0000281600000000, 0.0001275800000000 ] - [ -0.0004731500000000, -0.0001138600000000, -0.0000436500000000 ] - [ -0.0004815000000000, 0.0000087500000000, 0.0005564000000000 ] - [ -0.0004473600000000, -0.0000022300000000, -0.0001802600000000 ] - [ -0.0001697100000000, 0.0002848000000000, -0.0000490700000000 ] - [ -0.0002809400000000, 0.0000960500000000, 0.0001102000000000 ] - [ -0.0000848300000000, -0.0001525600000000, 0.0000199900000000 ] - [ -0.0000702500000000, 0.0004567700000000, -0.0003136400000000 ] - [ 0.0001920100000000, 0.0000584900000000, -0.0001485300000000 ] - [ 0.0002564700000000, 0.0000831100000000, -0.0001847300000000 ] - [ -0.0004815200000000, -0.0001759300000000, 0.0001642000000000 ] - [ 0.0001417500000000, -0.0010411600000000, -0.0003704800000000 ] - [ -0.0002753100000000, -0.0001574700000000, 0.0001209100000000 ] - [ -0.0002488600000000, -0.0001708600000000, 0.0001455300000000 ] - [ -0.0033171200000000, -0.0030048800000000, 0.0063634700000000 ] - [ 0.0000976100000000, -0.0001911300000000, -0.0001122400000000 ] - [ 0.0003793800000000, -0.0002322200000000, -0.0001332700000000 ] - [ 0.0004630000000000, -0.0003105700000000, -0.0003403900000000 ] - [ 0.0007285600000000, 0.0001077800000000, 0.0002820200000000 ] - [ -0.0006009000000000, 0.0001775400000000, 0.0000397600000000 ] - [ 0.0022487900000000, -0.0000813200000000, 0.0022198800000000 ] - [ 0.0001206800000000, 0.0002067400000000, 0.0001726700000000 ] - [ -0.0005828500000000, 0.0001505100000000, -0.0003473500000000 ] - [ 0.0000545400000000, 0.0012626500000000, 0.0001125000000000 ] - [ -0.0005839000000000, 0.0001594400000000, -0.0003538500000000 ] - [ -0.0001992500000000, 0.0001852100000000, -0.0002398200000000 ] - [ -0.0007561100000000, 0.0006534500000000, -0.0003833200000000 ] - [ 0.0002425500000000, 0.0001109400000000, 0.0000900700000000 ] - [ -0.0000122600000000, 0.0001532000000000, -0.0001331700000000 ] - [ 0.0000842600000000, 0.0001528800000000, 0.0000980700000000 ] - [ 0.0003638400000000, 0.0000233700000000, -0.0000331700000000 ] - [ -0.0087000700000000, -0.0065869400000000, -0.0030711200000000 ] - [ 0.0001090900000000, 0.0000760500000000, 0.0001810200000000 ] - [ -0.0000914500000000, 0.0001070500000000, 0.0000005800000000 ] - [ -0.0001956300000000, -0.0000287500000000, -0.0000890900000000 ] - [ -0.0004437800000000, -0.0005142600000000, 0.0000279300000000 ] - [ -0.0004858400000000, -0.0000111600000000, 0.0000209400000000 ] - [ -0.0003466600000000, -0.0001272200000000, -0.0000576300000000 ] - [ -0.0072701900000000, 0.0046931300000000, 0.0026471400000000 ] - [ 0.0007411800000000, -0.0001172800000000, -0.0000330300000000 ] - [ 0.0003395000000000, -0.0001615300000000, -0.0000230200000000 ] - [ 0.0003824700000000, -0.0000992200000000, 0.0001890700000000 ] - [ -0.0050779700000000, -0.0031202700000000, -0.0004571300000000 ] - [ 0.0003948600000000, 0.0001994500000000, 0.0003175700000000 ] - [ 0.0001110700000000, 0.0003012000000000, 0.0002769500000000 ] - [ 0.0001840900000000, 0.0000377400000000, 0.0005670600000000 ] - [ 0.0000636900000000, 0.0000013400000000, -0.0004479800000000 ] - [ -0.0002925200000000, 0.0004028700000000, -0.0002728200000000 ] - [ -0.0001785000000000, 0.0001147900000000, -0.0002426100000000 ] - [ -0.0000125500000000, 0.0001577600000000, -0.0004477700000000 ] - [ 0.0001999500000000, 0.0001330900000000, -0.0001775600000000 ] - [ -0.0073312500000000, 0.0060023800000000, 0.0021091500000000 ] - [ 0.0000043500000000, 0.0000674500000000, -0.0001562400000000 ] - [ -0.0003932000000000, 0.0000242700000000, -0.0002274300000000 ] - [ -0.0001044600000000, -0.0000441800000000, 0.0001436300000000 ] - [ 0.0003397700000000, 0.0000900500000000, 0.0003533400000000 ] - [ -0.0001107200000000, -0.0005748800000000, 0.0001979300000000 ] - [ 0.0002429000000000, -0.0000654400000000, 0.0003839100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005296300000000, -0.0001976900000000, -0.0002942600000000 ] - [ -0.0004946300000000, -0.0000380500000000, -0.0002627600000000 ] - [ 0.0000859200000000, 0.0009841700000000, 0.0000496900000000 ] - [ -0.0004045300000000, 0.0003007500000000, 0.0001828500000000 ] - [ 0.0002576700000000, 0.0002299900000000, -0.0002004800000000 ] - [ 0.0001408300000000, 0.0011531700000000, -0.0006618400000000 ] - [ -0.0000258500000000, 0.0000083600000000, -0.0001436300000000 ] - [ 0.0000043000000000, 0.0002102800000000, -0.0003887300000000 ] - [ -0.0000816900000000, -0.0000950400000000, 0.0002631300000000 ] - [ -0.0000961500000000, -0.0000293200000000, 0.0002506200000000 ] - [ -0.0002545100000000, -0.0006379600000000, 0.0001734600000000 ] - [ -0.0000534300000000, 0.0000065900000000, 0.0001674900000000 ] - [ 0.0006034000000000, -0.0010387300000000, -0.0003666800000000 ] - [ 0.0004177500000000, -0.0001102300000000, 0.0000964400000000 ] - [ 0.0004129600000000, -0.0000983300000000, 0.0001146600000000 ] - [ 0.0004267800000000, -0.0000487000000000, 0.0001583600000000 ] - [ 0.0004533600000000, -0.0005124200000000, 0.0001869300000000 ] - [ 0.0003557200000000, -0.0006263000000000, 0.0001539100000000 ] - [ 0.0003021900000000, -0.0002139600000000, 0.0000836200000000 ] - [ 0.0003480500000000, -0.0002306500000000, 0.0001000900000000 ] - [ -0.0009137500000000, 0.0005791300000000, 0.0001815000000000 ] - [ 0.0000737700000000, 0.0001018000000000, -0.0002669500000000 ] - [ -0.0005642300000000, 0.0000539100000000, 0.0002056000000000 ] - [ -0.0002793500000000, -0.0002485400000000, -0.0001470400000000 ] - [ 0.0019027400000000, 0.0254083200000000, -0.0270475400000000 ] - [ 0.0002127300000000, -0.0001332300000000, 0.0003188200000000 ] - [ 0.0001953800000000, -0.0001547700000000, 0.0002890600000000 ] - [ 0.0002893300000000, -0.0003951000000000, 0.0003224500000000 ] - [ -0.0002212900000000, -0.0001498300000000, -0.0003345400000000 ] - [ -0.0001147500000000, -0.0018578200000000, 0.0001946700000000 ] - [ -0.0002268100000000, -0.0001806000000000, -0.0002811600000000 ] - [ -0.0002070900000000, -0.0002080500000000, -0.0003390400000000 ] - [ -0.0001957900000000, 0.0009540000000000, -0.0000734800000000 ] - [ -0.0002320600000000, 0.0003119100000000, -0.0001218900000000 ] - [ -0.0001409500000000, 0.0001911200000000, -0.0000690100000000 ] - [ -0.0001551800000000, 0.0001933900000000, -0.0000700300000000 ] - [ 0.0000401500000000, 0.0001750800000000, 0.0000430400000000 ] - [ -0.0002099200000000, -0.0002846700000000, -0.0000084100000000 ] - [ 0.0001367100000000, 0.0000249100000000, -0.0001986600000000 ] - [ 0.0002892200000000, 0.0001614600000000, 0.0000053700000000 ] - [ 0.0005853900000000, 0.0000629500000000, -0.0001421100000000 ] - [ -0.0002593400000000, 0.0000193100000000, -0.0003417400000000 ] - [ -0.0009616800000000, -0.0007897600000000, -0.0007937400000000 ] - [ -0.0000979400000000, 0.0001570200000000, -0.0000813500000000 ] - [ -0.0000682200000000, 0.0007710300000000, 0.0000636700000000 ] - [ -0.0000610200000000, 0.0002829100000000, -0.0000017000000000 ] - [ -0.0000867700000000, 0.0002311800000000, -0.0000135500000000 ] - [ -0.0001064500000000, 0.0002410500000000, -0.0000326300000000 ] - [ 0.0000976800000000, 0.0001884600000000, 0.0000029200000000 ] - [ 0.0002260500000000, 0.0023810800000000, 0.0014191400000000 ] - [ 0.0000801100000000, 0.0001432900000000, -0.0000656100000000 ] - [ 0.0000881400000000, 0.0001979200000000, -0.0000736600000000 ] - [ 0.0002327100000000, -0.0001754500000000, -0.0001976700000000 ] - [ 0.0000741900000000, -0.0002312900000000, -0.0001689100000000 ] - [ 0.0000989500000000, 0.0005910000000000, 0.0008609000000000 ] - [ 0.0000958500000000, -0.0001815500000000, -0.0000865500000000 ] - [ -0.0006033000000000, 0.0094641600000000, -0.0063838400000000 ] - [ -0.0000845800000000, 0.0001690900000000, 0.0000515500000000 ] - [ -0.0000983500000000, 0.0001612400000000, 0.0000224000000000 ] - [ -0.0000650900000000, -0.0000507100000000, -0.0002266100000000 ] - [ -0.0004957500000000, -0.0001971800000000, -0.0003318700000000 ] - [ 0.0004238200000000, -0.0003180500000000, -0.0004739400000000 ] - [ -0.0001222800000000, -0.0003035300000000, 0.0000416200000000 ] - [ -0.0001293800000000, -0.0002442800000000, 0.0001313100000000 ] - [ -0.0000015600000000, -0.0000367000000000, -0.0001975900000000 ] - [ -0.0000559200000000, 0.0000191700000000, -0.0002040300000000 ] - [ 0.0000531700000000, 0.0002035400000000, -0.0001026300000000 ] - [ -0.0000107000000000, -0.0000810900000000, -0.0001548600000000 ] - [ -0.0001723700000000, -0.0006641600000000, 0.0000289700000000 ] - [ 0.0000359300000000, -0.0007658300000000, 0.0000710300000000 ] - [ 0.0000569200000000, -0.0000610900000000, 0.0000261500000000 ] - [ 0.0000255400000000, -0.0003235800000000, 0.0001721000000000 ] - [ -0.0044483100000000, -0.0601322400000000, 0.0257797800000000 ] - [ -0.0000094400000000, -0.0000408300000000, -0.0000111300000000 ] - [ -0.0000264200000000, -0.0000589800000000, 0.0000046000000000 ] - [ 0.0000638600000000, 0.0000428200000000, -0.0000880500000000 ] - [ 0.0000347500000000, 0.0000002500000000, 0.0000116000000000 ] - [ 0.0000325500000000, 0.0014444000000000, -0.0002780500000000 ] - [ 0.0000382900000000, 0.0000313400000000, 0.0000101800000000 ] - [ 0.0000637000000000, 0.0000386700000000, -0.0000293700000000 ] - [ 0.0004867300000000, -0.0000457400000000, -0.0000384100000000 ] - [ 0.0004801300000000, -0.0001706600000000, -0.0004443300000000 ] - [ 0.0006879100000000, -0.0001984200000000, 0.0003146000000000 ] - [ 0.0001672900000000, -0.0003577400000000, 0.0002125800000000 ] - [ -0.0007953300000000, 0.0017615300000000, 0.0000506600000000 ] - [ -0.0004636400000000, -0.0000363000000000, 0.0000936900000000 ] - [ -0.0005067200000000, -0.0000393100000000, 0.0001040100000000 ] - [ -0.0004349800000000, -0.0001349900000000, 0.0000587100000000 ] - [ -0.0006989900000000, -0.0002507300000000, 0.0009060500000000 ] - [ 0.0000957400000000, -0.0001076600000000, 0.0007166300000000 ] - [ -0.0002294000000000, 0.0001074300000000, -0.0000057900000000 ] - [ -0.0002514900000000, 0.0000744800000000, 0.0001330900000000 ] - [ 0.0004506400000000, 0.0003646500000000, -0.0003454800000000 ] - [ -0.0001168300000000, 0.0004256400000000, -0.0003359300000000 ] - [ 0.0002430300000000, 0.0000925600000000, -0.0001148500000000 ] - [ 0.0002228400000000, 0.0000980100000000, -0.0001784800000000 ] - [ -0.0002061500000000, -0.0001362800000000, 0.0001146100000000 ] - [ -0.0003353400000000, 0.0006531500000000, 0.0003532900000000 ] - [ -0.0001918200000000, -0.0001571600000000, 0.0001044100000000 ] - [ -0.0002822900000000, -0.0001854400000000, 0.0001261300000000 ] - [ 0.0035647100000000, -0.0025099600000000, -0.0005969700000000 ] - [ 0.0002402400000000, -0.0002069500000000, -0.0001126200000000 ] - [ 0.0002546300000000, -0.0002478500000000, -0.0002472100000000 ] - [ -0.0000209100000000, -0.0000921800000000, -0.0001639900000000 ] - [ 0.0003985300000000, 0.0001150000000000, 0.0003320100000000 ] - [ 0.0004905000000000, 0.0001674900000000, 0.0003347800000000 ] - [ 0.0017485000000000, 0.0007075200000000, -0.0019169100000000 ] - [ 0.0003511800000000, 0.0001620400000000, 0.0002794700000000 ] - [ -0.0004487600000000, 0.0001915700000000, -0.0002837800000000 ] - [ -0.0002811800000000, 0.0008101600000000, -0.0000664100000000 ] - [ -0.0003619200000000, 0.0001792400000000, -0.0002891000000000 ] - [ -0.0005008600000000, 0.0002580500000000, -0.0003220900000000 ] - [ -0.0008800300000000, -0.0000512000000000, 0.0008711800000000 ] - [ 0.0000638800000000, 0.0001044200000000, 0.0000661600000000 ] - [ 0.0001498800000000, 0.0000233800000000, -0.0001883600000000 ] - [ 0.0000362700000000, 0.0001165700000000, -0.0000090500000000 ] - [ 0.0001385800000000, 0.0001325600000000, -0.0000460100000000 ] - [ 0.0066800700000000, 0.0061021400000000, 0.0027956100000000 ] - [ -0.0000756100000000, 0.0001444300000000, 0.0001009800000000 ] - [ -0.0000153800000000, 0.0001463500000000, 0.0000234400000000 ] - [ -0.0004260200000000, -0.0001286800000000, 0.0000028700000000 ] - [ 0.0005331000000000, -0.0003053600000000, 0.0007490700000000 ] - [ -0.0005788100000000, -0.0001630600000000, -0.0002092400000000 ] - [ -0.0003244900000000, -0.0001634000000000, -0.0000135300000000 ] - [ -0.0038261300000000, 0.0038612000000000, 0.0021983300000000 ] - [ 0.0001647100000000, -0.0000981000000000, -0.0000144000000000 ] - [ 0.0003907200000000, -0.0000718100000000, 0.0001172400000000 ] - [ 0.0003789400000000, -0.0000873600000000, 0.0001141600000000 ] - [ 0.0043829200000000, 0.0056985900000000, 0.0018964700000000 ] - [ 0.0001872900000000, 0.0002711200000000, 0.0003614100000000 ] - [ 0.0000951400000000, 0.0001352600000000, 0.0004143000000000 ] - [ 0.0001754800000000, 0.0000738400000000, 0.0005921800000000 ] - [ -0.0000119800000000, 0.0001951000000000, -0.0004512600000000 ] - [ -0.0003043300000000, 0.0000622900000000, -0.0007383700000000 ] - [ -0.0001320600000000, 0.0000697800000000, -0.0002526400000000 ] - [ -0.0001774000000000, 0.0001426100000000, -0.0002911700000000 ] - [ -0.0001649700000000, 0.0000839900000000, -0.0003116800000000 ] - [ -0.0066008100000000, 0.0071136900000000, 0.0023889200000000 ] - [ -0.0001671700000000, -0.0000342800000000, -0.0002117000000000 ] - [ -0.0001838000000000, 0.0000215700000000, -0.0001951700000000 ] - [ 0.0003153800000000, -0.0001924700000000, 0.0000137200000000 ] - [ 0.0000259800000000, -0.0000125100000000, 0.0002258100000000 ] - [ 0.0002081000000000, -0.0001975900000000, 0.0004196900000000 ] - [ 0.0001964800000000, -0.0000281300000000, 0.0003263600000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002561200000000, 0.0000099300000000, -0.0000022000000000 ] - [ -0.0003169300000000, -0.0001748800000000, -0.0000700000000000 ] - [ -0.0008798800000000, -0.0011766100000000, -0.0003472300000000 ] - [ -0.0003794800000000, -0.0004998300000000, -0.0004941400000000 ] - [ -0.0001003500000000, -0.0002207800000000, -0.0001693900000000 ] - [ 0.0000062600000000, -0.0011527100000000, 0.0003208500000000 ] - [ 0.0001865900000000, 0.0000052700000000, -0.0002252400000000 ] - [ 0.0001584400000000, -0.0002012500000000, 0.0000174800000000 ] - [ -0.0000790500000000, 0.0001083600000000, 0.0001059000000000 ] - [ -0.0000637500000000, 0.0000415600000000, 0.0001198100000000 ] - [ 0.0000907000000000, 0.0006556100000000, 0.0001941200000000 ] - [ -0.0001068100000000, 0.0000042400000000, 0.0002056800000000 ] - [ 0.0001828900000000, 0.0008382900000000, 0.0006611600000000 ] - [ 0.0003673900000000, -0.0000817800000000, 0.0002032000000000 ] - [ 0.0003771700000000, -0.0000892400000000, 0.0001828400000000 ] - [ 0.0003602800000000, -0.0001408900000000, 0.0001398700000000 ] - [ 0.0001952300000000, 0.0000777400000000, -0.0000459900000000 ] - [ 0.0002955500000000, 0.0001916500000000, -0.0000151400000000 ] - [ 0.0003534800000000, -0.0002175400000000, 0.0000581700000000 ] - [ 0.0003047900000000, -0.0002025400000000, 0.0000403100000000 ] - [ 0.0002708400000000, -0.0010292800000000, -0.0003270200000000 ] - [ -0.0007388300000000, -0.0005465000000000, 0.0001304300000000 ] - [ -0.0000945200000000, -0.0004967100000000, -0.0003480400000000 ] - [ -0.0003749500000000, -0.0001841500000000, 0.0000103100000000 ] - [ -0.0013457600000000, -0.0255376700000000, 0.0270235900000000 ] - [ 0.0001963500000000, -0.0001703400000000, 0.0003407300000000 ] - [ 0.0002140900000000, -0.0001480000000000, 0.0003698200000000 ] - [ 0.0001239700000000, 0.0000951200000000, 0.0003381300000000 ] - [ -0.0001909100000000, -0.0001538200000000, -0.0003262000000000 ] - [ -0.0002985600000000, 0.0015522500000000, -0.0008541600000000 ] - [ -0.0001837400000000, -0.0001232200000000, -0.0003793800000000 ] - [ -0.0002044600000000, -0.0000944500000000, -0.0003213300000000 ] - [ -0.0000361900000000, -0.0005794400000000, -0.0000836900000000 ] - [ 0.0000020000000000, 0.0000645900000000, -0.0000366000000000 ] - [ -0.0000898600000000, 0.0001861200000000, -0.0000888400000000 ] - [ -0.0000758300000000, 0.0001833800000000, -0.0000876900000000 ] - [ 0.0001919700000000, 0.0002023300000000, 0.0001154900000000 ] - [ 0.0004482100000000, 0.0006675400000000, 0.0001771600000000 ] - [ 0.0000980400000000, 0.0003519400000000, 0.0003578900000000 ] - [ -0.0000656700000000, 0.0002156700000000, 0.0001535000000000 ] - [ -0.0004028900000000, 0.0003877600000000, 0.0001692500000000 ] - [ 0.0004649100000000, 0.0004357300000000, 0.0003693400000000 ] - [ 0.0011505500000000, 0.0012517400000000, 0.0007993500000000 ] - [ 0.0002915600000000, 0.0002910800000000, 0.0001113600000000 ] - [ -0.0001222100000000, -0.0003262900000000, -0.0000882100000000 ] - [ -0.0001307500000000, 0.0001649800000000, -0.0000225000000000 ] - [ -0.0001040600000000, 0.0002168600000000, -0.0000098400000000 ] - [ -0.0000840500000000, 0.0002067100000000, 0.0000095700000000 ] - [ 0.0000722200000000, 0.0001492300000000, -0.0000298300000000 ] - [ -0.0000570800000000, -0.0020548700000000, -0.0014620200000000 ] - [ 0.0000890500000000, 0.0001940900000000, 0.0000402200000000 ] - [ 0.0000819500000000, 0.0001385800000000, 0.0000486400000000 ] - [ 0.0000109100000000, -0.0002217200000000, 0.0000273000000000 ] - [ 0.0001704700000000, -0.0001655400000000, -0.0000020900000000 ] - [ 0.0001451500000000, -0.0009943100000000, -0.0010323400000000 ] - [ 0.0001486000000000, -0.0002130800000000, -0.0000857400000000 ] - [ 0.0004312600000000, -0.0089556300000000, 0.0063169900000000 ] - [ -0.0000854800000000, 0.0001676700000000, -0.0000259600000000 ] - [ -0.0000715300000000, 0.0001762900000000, 0.0000052200000000 ] - [ -0.0001069400000000, 0.0003943200000000, 0.0002578000000000 ] - [ 0.0002541800000000, -0.0001968200000000, 0.0005075500000000 ] - [ -0.0006688300000000, -0.0000735200000000, 0.0006507100000000 ] - [ -0.0001202300000000, -0.0000888000000000, 0.0001311300000000 ] - [ -0.0001152500000000, -0.0001482800000000, 0.0000398800000000 ] - [ 0.0000107800000000, -0.0001836600000000, -0.0000972800000000 ] - [ 0.0000654600000000, -0.0002390600000000, -0.0000906700000000 ] - [ -0.0000430400000000, -0.0004254400000000, -0.0001918000000000 ] - [ 0.0000199200000000, -0.0001382500000000, -0.0001404900000000 ] - [ 0.0001666400000000, 0.0004494000000000, 0.0002631200000000 ] - [ -0.0000412000000000, 0.0005515400000000, 0.0002219300000000 ] - [ -0.0000660700000000, -0.0001592200000000, 0.0002699400000000 ] - [ -0.0000358400000000, 0.0001059900000000, 0.0001256400000000 ] - [ 0.0043897600000000, 0.0597801300000000, -0.0250477500000000 ] - [ -0.0000561600000000, -0.0000033800000000, -0.0000162300000000 ] - [ -0.0000391100000000, 0.0000144900000000, -0.0000304200000000 ] - [ -0.0001267600000000, -0.0000905300000000, 0.0000665800000000 ] - [ 0.0000332200000000, -0.0000451200000000, 0.0000151500000000 ] - [ 0.0000368600000000, -0.0014940300000000, 0.0002989800000000 ] - [ 0.0000294900000000, -0.0000766200000000, 0.0000167600000000 ] - [ 0.0000041000000000, -0.0000840000000000, 0.0000570500000000 ] - [ 0.0004640500000000, -0.0000809500000000, -0.0000985500000000 ] - [ 0.0004734600000000, 0.0000410600000000, 0.0003206900000000 ] - [ 0.0002617400000000, 0.0000709500000000, -0.0004506600000000 ] - [ 0.0007837300000000, 0.0002321100000000, -0.0003473900000000 ] - [ -0.0001548800000000, -0.0018958800000000, 0.0000868500000000 ] - [ -0.0004870100000000, -0.0000898900000000, 0.0000422500000000 ] - [ -0.0004431700000000, -0.0000869000000000, 0.0000322400000000 ] - [ -0.0005159000000000, 0.0000101900000000, 0.0000781600000000 ] - [ 0.0002579100000000, 0.0004170300000000, -0.0006287600000000 ] - [ -0.0005432300000000, 0.0002733100000000, -0.0004388200000000 ] - [ -0.0002141700000000, 0.0000541400000000, 0.0002937300000000 ] - [ -0.0001931500000000, 0.0000858200000000, 0.0001517600000000 ] - [ -0.0000051000000000, -0.0002042100000000, 0.0000600800000000 ] - [ 0.0005632800000000, -0.0002652100000000, 0.0000521800000000 ] - [ 0.0002023300000000, 0.0000680400000000, -0.0001690000000000 ] - [ 0.0002225600000000, 0.0000632200000000, -0.0001039400000000 ] - [ -0.0003188100000000, -0.0002572100000000, 0.0001521500000000 ] - [ -0.0001892400000000, -0.0010458700000000, -0.0000860000000000 ] - [ -0.0003347600000000, -0.0002363100000000, 0.0001630500000000 ] - [ -0.0002430300000000, -0.0002080300000000, 0.0001411300000000 ] - [ -0.0030701900000000, 0.0021130800000000, 0.0003434400000000 ] - [ 0.0002864200000000, -0.0001873500000000, -0.0001541600000000 ] - [ 0.0002734700000000, -0.0001468900000000, -0.0000178000000000 ] - [ 0.0005493300000000, -0.0003026000000000, -0.0001053900000000 ] - [ 0.0004113600000000, 0.0002180800000000, 0.0002466000000000 ] - [ 0.0003203900000000, 0.0001639100000000, 0.0002425900000000 ] - [ -0.0009580400000000, -0.0003620900000000, 0.0024748200000000 ] - [ 0.0004570400000000, 0.0001702300000000, 0.0002973600000000 ] - [ -0.0003618600000000, 0.0001402400000000, -0.0002943100000000 ] - [ -0.0005273200000000, -0.0004836400000000, -0.0005128900000000 ] - [ -0.0004490900000000, 0.0001525300000000, -0.0002888600000000 ] - [ -0.0003092100000000, 0.0000730700000000, -0.0002553600000000 ] - [ 0.0009177300000000, 0.0002888100000000, -0.0008421400000000 ] - [ -0.0000192200000000, 0.0001275600000000, -0.0000426900000000 ] - [ -0.0001075000000000, 0.0002081600000000, 0.0002130500000000 ] - [ 0.0000079400000000, 0.0001132500000000, 0.0000329600000000 ] - [ -0.0001845300000000, 0.0000976300000000, 0.0000225000000000 ] - [ -0.0069367800000000, -0.0060140000000000, -0.0028856800000000 ] - [ 0.0000321800000000, 0.0000871100000000, -0.0001269000000000 ] - [ -0.0000293900000000, 0.0000844600000000, -0.0000486400000000 ] - [ -0.0003308200000000, -0.0000980300000000, -0.0000328700000000 ] - [ -0.0012900200000000, 0.0000863800000000, -0.0007754300000000 ] - [ -0.0001754800000000, -0.0000651100000000, 0.0001808100000000 ] - [ -0.0004325500000000, -0.0000644700000000, -0.0000171900000000 ] - [ 0.0047441600000000, -0.0041985200000000, -0.0022205200000000 ] - [ 0.0005945400000000, -0.0001294600000000, 0.0000463600000000 ] - [ 0.0003657900000000, -0.0001558000000000, -0.0000887300000000 ] - [ 0.0003779300000000, -0.0001395800000000, -0.0000862800000000 ] - [ -0.0040206100000000, -0.0051802700000000, -0.0010716500000000 ] - [ -0.0000022600000000, 0.0001232200000000, 0.0004009900000000 ] - [ 0.0000884700000000, 0.0002609100000000, 0.0003453400000000 ] - [ 0.0000049300000000, 0.0003216900000000, 0.0001610300000000 ] - [ -0.0001729500000000, 0.0001993300000000, -0.0003082000000000 ] - [ 0.0001222200000000, 0.0003314300000000, -0.0000198900000000 ] - [ -0.0000508500000000, 0.0003252100000000, -0.0005080000000000 ] - [ -0.0000054300000000, 0.0002544900000000, -0.0004700900000000 ] - [ -0.0000756200000000, -0.0000429800000000, -0.0002372500000000 ] - [ 0.0061515700000000, -0.0069343700000000, -0.0028562500000000 ] - [ -0.0000717600000000, 0.0000756800000000, -0.0003397400000000 ] - [ -0.0000540100000000, 0.0000187100000000, -0.0003584500000000 ] - [ -0.0000770700000000, 0.0002335700000000, 0.0005378900000000 ] - [ 0.0002148500000000, 0.0000521300000000, 0.0003248700000000 ] - [ 0.0000299400000000, 0.0002421000000000, 0.0001291200000000 ] - [ 0.0000435600000000, 0.0000683700000000, 0.0002240100000000 ]- atom: 73 displacement: [ -0.0045549923526468, 0.0000000000000000, 0.0089023617466001 ] forces: - [ -0.0000653400000000, 0.0000291600000000, 0.0000450300000000 ] - [ -0.0022334200000000, -0.0014816500000000, -0.0017881000000000 ] - [ -0.0008231200000000, -0.0015149300000000, -0.0003446200000000 ] - [ -0.0002798600000000, 0.0002094600000000, -0.0003874800000000 ] - [ -0.0000585600000000, -0.0000207600000000, 0.0002900600000000 ] - [ -0.0009434300000000, -0.0006260300000000, -0.0003553500000000 ] - [ 0.0003119200000000, 0.0000211200000000, -0.0002706100000000 ] - [ 0.0001788000000000, -0.0000900600000000, -0.0001780200000000 ] - [ -0.0000524200000000, 0.0000887300000000, 0.0001480600000000 ] - [ -0.0000883100000000, 0.0000465600000000, 0.0000907800000000 ] - [ -0.0003041100000000, -0.0004762100000000, 0.0006367300000000 ] - [ -0.0000422800000000, 0.0000049600000000, 0.0001593900000000 ] - [ -0.0001656200000000, 0.0001001400000000, 0.0014034300000000 ] - [ 0.0005424900000000, -0.0000962400000000, 0.0001574400000000 ] - [ 0.0004714100000000, -0.0000439900000000, -0.0000487500000000 ] - [ 0.0002447400000000, -0.0001750000000000, -0.0000141900000000 ] - [ 0.0003033400000000, -0.0001927700000000, 0.0001113100000000 ] - [ 0.0005357000000000, -0.0005445300000000, 0.0001377500000000 ] - [ 0.0003862400000000, -0.0002985200000000, 0.0000142900000000 ] - [ 0.0002473800000000, -0.0001595600000000, -0.0000157000000000 ] - [ 0.0004743700000000, -0.0007142000000000, -0.0003538300000000 ] - [ -0.0006730100000000, 0.0000449900000000, 0.0005613200000000 ] - [ 0.0002721000000000, -0.0000749400000000, -0.0000572600000000 ] - [ -0.0002165900000000, -0.0001272700000000, 0.0001764100000000 ] - [ -0.0059844900000000, -0.0261352600000000, 0.0597554700000000 ] - [ 0.0002220400000000, -0.0001651500000000, 0.0003601700000000 ] - [ 0.0002667300000000, -0.0001206300000000, 0.0002569700000000 ] - [ -0.0001019100000000, 0.0000782800000000, 0.0002077300000000 ] - [ -0.0001839800000000, -0.0001317700000000, -0.0003221300000000 ] - [ -0.0006222200000000, -0.0004802700000000, 0.0003877600000000 ] - [ -0.0002370000000000, -0.0001703400000000, -0.0003239000000000 ] - [ -0.0001372400000000, -0.0001904400000000, -0.0004000700000000 ] - [ 0.0002069000000000, 0.0007143100000000, -0.0001951500000000 ] - [ -0.0003231300000000, 0.0002856200000000, -0.0001694300000000 ] - [ -0.0001903600000000, 0.0001968300000000, -0.0000008600000000 ] - [ -0.0000100300000000, 0.0001853100000000, -0.0000383900000000 ] - [ 0.0001356900000000, 0.0001275100000000, 0.0001111600000000 ] - [ 0.0000783100000000, -0.0001190500000000, -0.0002192200000000 ] - [ 0.0000471100000000, 0.0002338900000000, 0.0002370400000000 ] - [ -0.0002191500000000, 0.0000829200000000, 0.0001808400000000 ] - [ -0.0006715900000000, 0.0003463500000000, 0.0002304000000000 ] - [ 0.0012135800000000, 0.0003953300000000, 0.0002672300000000 ] - [ 0.0022699200000000, 0.0011070000000000, 0.0016567300000000 ] - [ 0.0003839000000000, 0.0002366600000000, -0.0000211200000000 ] - [ -0.0001372400000000, 0.0002302100000000, -0.0002461800000000 ] - [ -0.0001433000000000, 0.0002593600000000, -0.0000374100000000 ] - [ -0.0001281500000000, 0.0001969000000000, 0.0000923900000000 ] - [ 0.0000196500000000, 0.0001549800000000, 0.0001225000000000 ] - [ 0.0000445700000000, 0.0002213700000000, -0.0000840800000000 ] - [ 0.0005820900000000, 0.0016156200000000, 0.0004929700000000 ] - [ 0.0001241000000000, 0.0001496400000000, 0.0000699300000000 ] - [ 0.0000570700000000, 0.0001604000000000, 0.0000607500000000 ] - [ 0.0000492700000000, -0.0003532900000000, 0.0000596500000000 ] - [ 0.0001800100000000, -0.0002112100000000, -0.0000674000000000 ] - [ 0.0002439600000000, 0.0011654300000000, 0.0009000600000000 ] - [ 0.0000844300000000, -0.0001864700000000, -0.0000920600000000 ] - [ 0.0009231100000000, -0.0030824200000000, -0.0024388300000000 ] - [ -0.0001339900000000, 0.0001336200000000, -0.0000459800000000 ] - [ -0.0001547600000000, 0.0001252800000000, 0.0001331100000000 ] - [ 0.0000034800000000, 0.0005726900000000, 0.0004410000000000 ] - [ -0.0002329300000000, -0.0001970500000000, -0.0002757500000000 ] - [ -0.0003225600000000, -0.0000843600000000, 0.0002440200000000 ] - [ -0.0001505200000000, -0.0000817300000000, 0.0001785500000000 ] - [ -0.0000836900000000, -0.0001238900000000, 0.0002363900000000 ] - [ -0.0000213400000000, -0.0001091400000000, -0.0001278300000000 ] - [ 0.0000656800000000, -0.0000997000000000, -0.0001454700000000 ] - [ 0.0000592100000000, 0.0002655800000000, -0.0000570700000000 ] - [ -0.0000351000000000, -0.0001056600000000, -0.0001457000000000 ] - [ 0.0000767000000000, -0.0002018900000000, -0.0001953500000000 ] - [ -0.0004202100000000, -0.0002218100000000, -0.0000733900000000 ] - [ -0.0001280200000000, -0.0001555500000000, 0.0002955200000000 ] - [ -0.0000424100000000, 0.0001920000000000, 0.0003492200000000 ] - [ 0.0256365700000000, 0.0238345600000000, -0.0744693000000000 ] - [ -0.0001153700000000, -0.0000321900000000, -0.0000226300000000 ] - [ -0.0000485800000000, -0.0000108100000000, 0.0000540400000000 ] - [ -0.0001661200000000, -0.0001361400000000, 0.0001055600000000 ] - [ -0.0000067900000000, -0.0000214300000000, -0.0000165000000000 ] - [ 0.0001564200000000, 0.0002336000000000, -0.0001469800000000 ] - [ 0.0000917500000000, -0.0000184500000000, -0.0000002400000000 ] - [ 0.0000678900000000, 0.0000295900000000, 0.0000400400000000 ] - [ 0.0004147600000000, -0.0001305000000000, -0.0000848000000000 ] - [ 0.0009163500000000, -0.0003400600000000, 0.0012620700000000 ] - [ 0.0005535000000000, -0.0000737500000000, -0.0000326200000000 ] - [ 0.0001933600000000, -0.0003244000000000, 0.0002523100000000 ] - [ 0.0004296500000000, -0.0015254000000000, -0.0007087900000000 ] - [ -0.0005205600000000, -0.0000486000000000, 0.0000700600000000 ] - [ -0.0005164800000000, -0.0000152700000000, 0.0001555200000000 ] - [ -0.0004444300000000, 0.0000697300000000, 0.0001887600000000 ] - [ -0.0003198000000000, 0.0000955600000000, 0.0001887100000000 ] - [ -0.0001879500000000, 0.0002942600000000, -0.0001904100000000 ] - [ -0.0002991300000000, 0.0000181300000000, 0.0002123000000000 ] - [ -0.0002376400000000, 0.0000584900000000, 0.0001695700000000 ] - [ 0.0002981200000000, 0.0000950100000000, -0.0003538800000000 ] - [ -0.0000793900000000, 0.0004326600000000, -0.0005321200000000 ] - [ 0.0002027000000000, 0.0001190000000000, -0.0000290400000000 ] - [ 0.0002130000000000, 0.0000320500000000, -0.0000223700000000 ] - [ -0.0003117100000000, -0.0001796200000000, 0.0001154800000000 ] - [ 0.0000242900000000, -0.0005814100000000, -0.0001271300000000 ] - [ -0.0002085500000000, -0.0001391800000000, 0.0001899000000000 ] - [ -0.0003638800000000, -0.0001688900000000, 0.0001788400000000 ] - [ -0.0056052800000000, -0.0014022600000000, 0.0024850700000000 ] - [ 0.0003772700000000, -0.0002567300000000, -0.0001778100000000 ] - [ 0.0001503900000000, -0.0002221300000000, 0.0000253300000000 ] - [ 0.0008021200000000, -0.0004046000000000, -0.0001645200000000 ] - [ 0.0003656100000000, 0.0001786200000000, 0.0003016800000000 ] - [ 0.0001491900000000, 0.0000678400000000, 0.0002269800000000 ] - [ -0.0007285100000000, -0.0012971500000000, 0.0055676700000000 ] - [ 0.0002117500000000, 0.0001941300000000, 0.0001194700000000 ] - [ -0.0004419700000000, 0.0001847000000000, -0.0003023200000000 ] - [ -0.0002647300000000, 0.0010901100000000, -0.0000415200000000 ] - [ -0.0003774600000000, 0.0001542100000000, -0.0002972900000000 ] - [ -0.0004123600000000, 0.0001163100000000, -0.0002460000000000 ] - [ -0.0003262500000000, 0.0003780500000000, 0.0001772800000000 ] - [ 0.0001174000000000, 0.0001602600000000, 0.0001272100000000 ] - [ 0.0002903200000000, 0.0000863700000000, -0.0003628600000000 ] - [ -0.0000930500000000, 0.0000637700000000, -0.0000005400000000 ] - [ 0.0001414200000000, 0.0000618200000000, 0.0000479100000000 ] - [ 0.0000720700000000, 0.0006572300000000, 0.0005799900000000 ] - [ 0.0000262900000000, 0.0000893100000000, -0.0001701400000000 ] - [ 0.0000649600000000, 0.0000602600000000, -0.0001587800000000 ] - [ -0.0003004700000000, -0.0000156800000000, 0.0000157200000000 ] - [ -0.0008056200000000, 0.0000411500000000, 0.0002662900000000 ] - [ -0.0006368000000000, -0.0002099600000000, -0.0002117300000000 ] - [ -0.0002919000000000, -0.0001403200000000, -0.0001078800000000 ] - [ -0.0065571000000000, 0.0046375500000000, 0.0030614500000000 ] - [ 0.0005191200000000, -0.0001397200000000, 0.0001099300000000 ] - [ 0.0003921700000000, -0.0001510400000000, -0.0001584000000000 ] - [ 0.0002759100000000, -0.0001523800000000, -0.0001664800000000 ] - [ -0.0026446500000000, -0.0011100200000000, 0.0005336700000000 ] - [ 0.0003673400000000, 0.0002095400000000, 0.0004067800000000 ] - [ 0.0001334700000000, 0.0002874500000000, 0.0002455500000000 ] - [ -0.0001945800000000, 0.0003514800000000, -0.0000530200000000 ] - [ -0.0000137600000000, 0.0000542700000000, -0.0003599600000000 ] - [ -0.0003523700000000, 0.0000494700000000, -0.0004138400000000 ] - [ -0.0002824700000000, 0.0001942200000000, -0.0003425300000000 ] - [ -0.0000230800000000, 0.0001804800000000, -0.0004343500000000 ] - [ -0.0000999600000000, 0.0000827100000000, -0.0001722500000000 ] - [ -0.0045905700000000, 0.0041243000000000, 0.0018104000000000 ] - [ -0.0000659500000000, 0.0001055400000000, -0.0003958600000000 ] - [ 0.0001303200000000, 0.0000501000000000, -0.0005598300000000 ] - [ 0.0002538100000000, -0.0000742300000000, 0.0001994600000000 ] - [ 0.0001467600000000, -0.0000394500000000, 0.0003315000000000 ] - [ 0.0000911600000000, -0.0004579500000000, 0.0001824400000000 ] - [ 0.0001134900000000, -0.0000185800000000, 0.0003068800000000 ]- atom: 73 displacement: [ 0.0045549923526468, 0.0000000000000000, -0.0089023617466001 ] forces: - [ -0.0007324900000000, -0.0002242500000000, -0.0003506700000000 ] - [ 0.0014972300000000, 0.0013459600000000, 0.0015360100000000 ] - [ 0.0000462400000000, 0.0013119200000000, 0.0000519400000000 ] - [ -0.0005159100000000, -0.0003929900000000, 0.0001018100000000 ] - [ 0.0002186000000000, 0.0000308500000000, -0.0006525800000000 ] - [ 0.0010331500000000, 0.0006291000000000, -0.0000360500000000 ] - [ -0.0001519700000000, -0.0000078200000000, -0.0000984600000000 ] - [ -0.0000188300000000, 0.0001058100000000, -0.0001892300000000 ] - [ -0.0001080600000000, -0.0000784600000000, 0.0002214900000000 ] - [ -0.0000684800000000, -0.0000337900000000, 0.0002754200000000 ] - [ 0.0001425100000000, 0.0004872100000000, -0.0002675600000000 ] - [ -0.0001175800000000, 0.0000080100000000, 0.0002113400000000 ] - [ 0.0009511500000000, -0.0003041300000000, -0.0011193200000000 ] - [ 0.0002466400000000, -0.0000918700000000, 0.0001407600000000 ] - [ 0.0003172000000000, -0.0001470900000000, 0.0003508000000000 ] - [ 0.0005428300000000, -0.0000182700000000, 0.0003145100000000 ] - [ 0.0003507100000000, -0.0002427500000000, 0.0000320300000000 ] - [ 0.0001167100000000, 0.0001091300000000, 0.0000021000000000 ] - [ 0.0002685700000000, -0.0001305900000000, 0.0001292300000000 ] - [ 0.0004044100000000, -0.0002734800000000, 0.0001582800000000 ] - [ -0.0011481000000000, 0.0003048400000000, 0.0002300300000000 ] - [ 0.0000265500000000, -0.0004816900000000, -0.0007178700000000 ] - [ -0.0009042000000000, -0.0003499300000000, -0.0000624200000000 ] - [ -0.0004405900000000, -0.0003092100000000, -0.0003113300000000 ] - [ 0.0066779200000000, 0.0271948300000000, -0.0612022300000000 ] - [ 0.0001889200000000, -0.0001360700000000, 0.0003011500000000 ] - [ 0.0001429700000000, -0.0001826800000000, 0.0004048500000000 ] - [ 0.0005050400000000, -0.0003814900000000, 0.0004540700000000 ] - [ -0.0002253400000000, -0.0001713500000000, -0.0003387400000000 ] - [ 0.0002151400000000, 0.0001699500000000, -0.0010525800000000 ] - [ -0.0001715900000000, -0.0001326600000000, -0.0003350900000000 ] - [ -0.0002744200000000, -0.0001138900000000, -0.0002581700000000 ] - [ -0.0004391000000000, -0.0003317900000000, 0.0000371400000000 ] - [ 0.0000931000000000, 0.0000922700000000, 0.0000114600000000 ] - [ -0.0000398600000000, 0.0001813000000000, -0.0001601400000000 ] - [ -0.0002191500000000, 0.0001934300000000, -0.0001222200000000 ] - [ 0.0000923700000000, 0.0002500600000000, 0.0000445800000000 ] - [ 0.0001590000000000, 0.0004956700000000, 0.0003813100000000 ] - [ 0.0001732300000000, 0.0001379800000000, -0.0000858900000000 ] - [ 0.0004519200000000, 0.0002914600000000, -0.0000243700000000 ] - [ 0.0008816200000000, 0.0000976000000000, -0.0002156800000000 ] - [ -0.0010475500000000, 0.0000466000000000, -0.0002512600000000 ] - [ -0.0020547100000000, -0.0006482700000000, -0.0016367800000000 ] - [ -0.0001814500000000, 0.0002084200000000, 0.0000358600000000 ] - [ -0.0000489800000000, 0.0002142800000000, 0.0002267600000000 ] - [ -0.0000465700000000, 0.0001889700000000, 0.0000152400000000 ] - [ -0.0000632300000000, 0.0002509200000000, -0.0001172200000000 ] - [ -0.0002094300000000, 0.0002930600000000, -0.0001469800000000 ] - [ 0.0001261600000000, 0.0001161100000000, 0.0000588400000000 ] - [ -0.0004145400000000, -0.0012902500000000, -0.0005199500000000 ] - [ 0.0000460600000000, 0.0001890400000000, -0.0000987100000000 ] - [ 0.0001160700000000, 0.0001801000000000, -0.0000921900000000 ] - [ 0.0001963400000000, -0.0000398100000000, -0.0002331900000000 ] - [ 0.0000634700000000, -0.0001836300000000, -0.0001035400000000 ] - [ 0.0000014400000000, -0.0015526000000000, -0.0010661600000000 ] - [ 0.0001611900000000, -0.0002086600000000, -0.0000792400000000 ] - [ -0.0011104400000000, 0.0034808300000000, 0.0024874900000000 ] - [ -0.0000371700000000, 0.0002049600000000, 0.0000750400000000 ] - [ -0.0000158800000000, 0.0002120500000000, -0.0001080100000000 ] - [ -0.0001765400000000, -0.0002274600000000, -0.0004117400000000 ] - [ -0.0000139400000000, -0.0001962000000000, 0.0004462600000000 ] - [ 0.0000819400000000, -0.0003056200000000, -0.0000777000000000 ] - [ -0.0000968300000000, -0.0003169500000000, -0.0000103500000000 ] - [ -0.0001610500000000, -0.0002718100000000, -0.0000654200000000 ] - [ 0.0000309900000000, -0.0001081700000000, -0.0001666200000000 ] - [ -0.0000574500000000, -0.0001181300000000, -0.0001478500000000 ] - [ -0.0000518500000000, -0.0004795900000000, -0.0002366500000000 ] - [ 0.0000448000000000, -0.0001129200000000, -0.0001489400000000 ] - [ -0.0000949900000000, -0.0000144900000000, 0.0004803100000000 ] - [ 0.0004163200000000, 0.0000004500000000, 0.0003699600000000 ] - [ 0.0001180400000000, -0.0000620600000000, -0.0000045200000000 ] - [ 0.0000339100000000, -0.0004093800000000, -0.0000572200000000 ] - [ -0.0260905000000000, -0.0254543800000000, 0.0765475700000000 ] - [ 0.0000503300000000, -0.0000149800000000, -0.0000009900000000 ] - [ -0.0000172900000000, -0.0000355500000000, -0.0000813000000000 ] - [ 0.0000984700000000, 0.0000889500000000, -0.0001298500000000 ] - [ 0.0000742700000000, -0.0000247600000000, 0.0000428300000000 ] - [ -0.0000892100000000, -0.0002777400000000, 0.0001731600000000 ] - [ -0.0000255000000000, -0.0000277600000000, 0.0000251300000000 ] - [ 0.0000019900000000, -0.0000739400000000, -0.0000168300000000 ] - [ 0.0005364000000000, 0.0000070200000000, -0.0000516200000000 ] - [ 0.0000192200000000, 0.0002234100000000, -0.0014435200000000 ] - [ 0.0003931500000000, -0.0000493600000000, -0.0001126600000000 ] - [ 0.0007602400000000, 0.0001985600000000, -0.0003924400000000 ] - [ -0.0013821100000000, 0.0014256900000000, 0.0008474800000000 ] - [ -0.0004289900000000, -0.0000755800000000, 0.0000676200000000 ] - [ -0.0004342700000000, -0.0001103300000000, -0.0000196500000000 ] - [ -0.0005063800000000, -0.0001935200000000, -0.0000516700000000 ] - [ -0.0001329700000000, 0.0000602800000000, 0.0001087200000000 ] - [ -0.0002563500000000, -0.0001378200000000, 0.0004843700000000 ] - [ -0.0001512700000000, 0.0001432200000000, 0.0000654100000000 ] - [ -0.0002080300000000, 0.0001020900000000, 0.0001150400000000 ] - [ 0.0001437200000000, 0.0000655500000000, 0.0000743500000000 ] - [ 0.0005241700000000, -0.0002711800000000, 0.0002476800000000 ] - [ 0.0002429900000000, 0.0000395700000000, -0.0002566100000000 ] - [ 0.0002342000000000, 0.0001278600000000, -0.0002635900000000 ] - [ -0.0002154200000000, -0.0002146600000000, 0.0001520900000000 ] - [ -0.0005533300000000, 0.0001933600000000, 0.0003973000000000 ] - [ -0.0003203600000000, -0.0002548400000000, 0.0000769300000000 ] - [ -0.0001621600000000, -0.0002249900000000, 0.0000874400000000 ] - [ 0.0062529500000000, 0.0010520200000000, -0.0028663600000000 ] - [ 0.0001527900000000, -0.0001393500000000, -0.0000869300000000 ] - [ 0.0003758200000000, -0.0001719500000000, -0.0002962100000000 ] - [ -0.0002647900000000, 0.0000056700000000, -0.0001085100000000 ] - [ 0.0004470800000000, 0.0001525600000000, 0.0002758900000000 ] - [ 0.0006676400000000, 0.0002642800000000, 0.0003550400000000 ] - [ 0.0015819700000000, 0.0016318700000000, -0.0049035100000000 ] - [ 0.0005977100000000, 0.0001384300000000, 0.0004590400000000 ] - [ -0.0003688700000000, 0.0001465100000000, -0.0002757900000000 ] - [ -0.0005455900000000, -0.0007532800000000, -0.0005343500000000 ] - [ -0.0004368100000000, 0.0001778300000000, -0.0002810400000000 ] - [ -0.0004001700000000, 0.0002163700000000, -0.0003329300000000 ] - [ 0.0003595200000000, -0.0001701300000000, -0.0001447900000000 ] - [ -0.0000724700000000, 0.0000726700000000, -0.0001065100000000 ] - [ -0.0002450100000000, 0.0001468500000000, 0.0003865800000000 ] - [ 0.0001369000000000, 0.0001699100000000, 0.0000249500000000 ] - [ -0.0001846600000000, 0.0001704200000000, -0.0000730700000000 ] - [ -0.0001047100000000, -0.0004064500000000, -0.0006054300000000 ] - [ -0.0000692800000000, 0.0001443000000000, 0.0001534300000000 ] - [ -0.0001107700000000, 0.0001732300000000, 0.0001390500000000 ] - [ -0.0004589500000000, -0.0002125100000000, -0.0000494700000000 ] - [ 0.0000575500000000, -0.0002747300000000, -0.0002972000000000 ] - [ -0.0001198900000000, -0.0000150000000000, 0.0001802800000000 ] - [ -0.0004666700000000, -0.0000850500000000, 0.0000760400000000 ] - [ 0.0074505900000000, -0.0049829300000000, -0.0030584200000000 ] - [ 0.0002351800000000, -0.0000880800000000, -0.0000802900000000 ] - [ 0.0003660400000000, -0.0000750900000000, 0.0001963900000000 ] - [ 0.0004805500000000, -0.0000746400000000, 0.0002017200000000 ] - [ 0.0028143000000000, 0.0015081800000000, 0.0002198100000000 ] - [ -0.0001842800000000, 0.0001872800000000, 0.0003523200000000 ] - [ 0.0000532100000000, 0.0001046800000000, 0.0005172000000000 ] - [ 0.0003837300000000, 0.0000426100000000, 0.0008178400000000 ] - [ -0.0001706400000000, 0.0003411200000000, -0.0004021700000000 ] - [ 0.0001660100000000, 0.0003449600000000, -0.0003495300000000 ] - [ 0.0001001700000000, 0.0001971600000000, -0.0004149600000000 ] - [ -0.0001657000000000, 0.0002109000000000, -0.0003235000000000 ] - [ -0.0001412700000000, -0.0000423500000000, -0.0003814200000000 ] - [ 0.0041973800000000, -0.0039238900000000, -0.0023335400000000 ] - [ -0.0001747100000000, -0.0000682400000000, -0.0001560500000000 ] - [ -0.0003773800000000, -0.0000110900000000, 0.0000112100000000 ] - [ -0.0000129900000000, 0.0001113300000000, 0.0003525000000000 ] - [ 0.0000949400000000, 0.0000789000000000, 0.0002200200000000 ] - [ 0.0001486800000000, 0.0004741200000000, 0.0003769100000000 ] - [ 0.0001277700000000, 0.0000555300000000, 0.0002481700000000 ]- atom: 81 displacement: [ 0.0099999730884809, 0.0000000000000000, -0.0000231997770880 ] forces: - [ 0.0121659500000000, 0.0090933200000000, -0.0045989400000000 ] - [ -0.0006654100000000, -0.0001518800000000, -0.0001576800000000 ] - [ -0.0003744800000000, 0.0000268200000000, 0.0001161200000000 ] - [ -0.0004517200000000, -0.0002277600000000, -0.0003615800000000 ] - [ 0.0004225700000000, -0.0001349800000000, 0.0000194300000000 ] - [ 0.0000867000000000, 0.0000299800000000, -0.0002784000000000 ] - [ 0.0007513700000000, 0.0011691700000000, 0.0008467000000000 ] - [ -0.0003244800000000, -0.0000141000000000, -0.0001453300000000 ] - [ -0.0002684700000000, 0.0008155700000000, -0.0002558000000000 ] - [ 0.0001244000000000, -0.0004035000000000, 0.0005586200000000 ] - [ -0.0002096400000000, 0.0000259900000000, 0.0002171200000000 ] - [ 0.0000200500000000, -0.0000193000000000, 0.0001850700000000 ] - [ 0.0002328300000000, -0.0000814700000000, 0.0001952200000000 ] - [ 0.0004900300000000, 0.0000158900000000, -0.0000199900000000 ] - [ 0.0008704500000000, -0.0000577000000000, 0.0001003500000000 ] - [ 0.0002495900000000, -0.0001589200000000, 0.0003400200000000 ] - [ 0.0003439200000000, 0.0001283000000000, 0.0002848000000000 ] - [ 0.0002657200000000, -0.0003634500000000, -0.0000799200000000 ] - [ 0.0006259100000000, -0.0005542500000000, 0.0000878000000000 ] - [ -0.0000342100000000, -0.0001556100000000, -0.0000968200000000 ] - [ -0.0017214900000000, 0.0000837100000000, -0.0002397600000000 ] - [ -0.0010549200000000, -0.0000983200000000, -0.0001872600000000 ] - [ -0.0001691900000000, -0.0002753300000000, -0.0001352900000000 ] - [ -0.0003856000000000, -0.0001928500000000, 0.0000073700000000 ] - [ -0.0001430700000000, -0.0001589400000000, 0.0003145000000000 ] - [ 0.0007263400000000, -0.0007093200000000, -0.0008887300000000 ] - [ 0.0002297500000000, -0.0002462500000000, 0.0001017200000000 ] - [ 0.0000852400000000, -0.0000677800000000, 0.0006111000000000 ] - [ 0.0002210700000000, -0.0005333000000000, -0.0007177800000000 ] - [ -0.0003336900000000, -0.0001660800000000, -0.0002668400000000 ] - [ -0.0001754400000000, -0.0001664400000000, -0.0003086100000000 ] - [ -0.0002142300000000, -0.0000677500000000, -0.0003866300000000 ] - [ -0.0000203300000000, 0.0001936700000000, -0.0001716900000000 ] - [ -0.0001822200000000, 0.0003928100000000, 0.0001498700000000 ] - [ -0.0003647300000000, 0.0001714700000000, 0.0000005100000000 ] - [ 0.0001464300000000, 0.0001725300000000, -0.0000841600000000 ] - [ 0.0014110200000000, 0.0032858000000000, -0.0018847300000000 ] - [ 0.0003786200000000, 0.0002399300000000, 0.0001591000000000 ] - [ 0.0001740700000000, 0.0000885600000000, -0.0001202800000000 ] - [ 0.0000952600000000, 0.0002352700000000, 0.0001526100000000 ] - [ 0.0016083900000000, 0.0035333000000000, -0.0006403500000000 ] - [ 0.0003817000000000, 0.0002300700000000, -0.0000576000000000 ] - [ -0.0001025000000000, 0.0002306200000000, -0.0000544700000000 ] - [ 0.0002523700000000, 0.0002602700000000, 0.0000733500000000 ] - [ 0.0000504700000000, 0.0001637900000000, -0.0001254000000000 ] - [ -0.0001522600000000, 0.0002232000000000, 0.0000103200000000 ] - [ -0.0005878800000000, 0.0001398300000000, -0.0000085900000000 ] - [ -0.0000043100000000, 0.0002652800000000, -0.0000846100000000 ] - [ -0.0003069600000000, 0.0012050900000000, -0.0002327800000000 ] - [ 0.0002069300000000, 0.0001836800000000, -0.0000200400000000 ] - [ 0.0000952300000000, 0.0001241800000000, -0.0000812500000000 ] - [ 0.0000902800000000, 0.0002422000000000, -0.0000324700000000 ] - [ 0.0013994700000000, -0.0009167800000000, 0.0003501700000000 ] - [ 0.0008221300000000, 0.0003544200000000, -0.0003194100000000 ] - [ 0.0001634800000000, -0.0001893800000000, -0.0001304400000000 ] - [ 0.0000839600000000, -0.0001838900000000, -0.0000628900000000 ] - [ 0.0000892400000000, 0.0001644600000000, 0.0000148600000000 ] - [ -0.0006329200000000, 0.0000197000000000, 0.0000460300000000 ] - [ 0.0002943100000000, 0.0000953900000000, 0.0005154100000000 ] - [ 0.0003430300000000, 0.0002998600000000, -0.0004592500000000 ] - [ -0.0001168900000000, -0.0001875700000000, 0.0000011400000000 ] - [ -0.0000952600000000, -0.0001925800000000, 0.0001363700000000 ] - [ -0.0003699800000000, -0.0003265200000000, -0.0000745500000000 ] - [ 0.0000338500000000, -0.0001856000000000, 0.0001234400000000 ] - [ 0.0002850300000000, -0.0004651600000000, 0.0001148200000000 ] - [ 0.0002763200000000, 0.0001310500000000, -0.0003682400000000 ] - [ 0.0000499100000000, -0.0000796100000000, -0.0001832900000000 ] - [ -0.0000240900000000, -0.0001290500000000, -0.0001482300000000 ] - [ 0.0000273500000000, 0.0000551400000000, -0.0004085900000000 ] - [ -0.0000799700000000, -0.0001440100000000, 0.0002190100000000 ] - [ -0.0006232100000000, -0.0004849700000000, 0.0000374000000000 ] - [ 0.0001629500000000, -0.0001067100000000, 0.0001477300000000 ] - [ 0.0000935800000000, -0.0000106500000000, -0.0000166900000000 ] - [ -0.0000459100000000, -0.0000181100000000, 0.0004793300000000 ] - [ 0.0001736300000000, 0.0001908600000000, 0.0001834400000000 ] - [ 0.0001972800000000, -0.0003324000000000, -0.0002166800000000 ] - [ -0.0006706200000000, 0.0003009600000000, 0.0006770900000000 ] - [ 0.0001410700000000, -0.0000332900000000, 0.0000169600000000 ] - [ 0.0000323500000000, 0.0000101600000000, -0.0000339500000000 ] - [ 0.0000327200000000, -0.0000625900000000, 0.0000471700000000 ] - [ -0.0292686900000000, -0.0116657400000000, 0.0072313600000000 ] - [ 0.0006421600000000, -0.0000465900000000, -0.0000762600000000 ] - [ 0.0004516000000000, -0.0000439200000000, -0.0001854000000000 ] - [ 0.0004812200000000, -0.0000346700000000, -0.0000095600000000 ] - [ -0.0004091100000000, -0.0000897000000000, 0.0000308200000000 ] - [ -0.0005519700000000, -0.0000648000000000, 0.0001347600000000 ] - [ -0.0006058200000000, 0.0001398300000000, 0.0002841000000000 ] - [ -0.0004600200000000, -0.0000865900000000, -0.0000098500000000 ] - [ 0.0001144900000000, 0.0004041200000000, -0.0000356400000000 ] - [ -0.0001684100000000, 0.0000286300000000, 0.0001989900000000 ] - [ -0.0002308900000000, 0.0000719900000000, 0.0000968100000000 ] - [ -0.0002066200000000, 0.0000672100000000, 0.0001522800000000 ] - [ 0.0005661700000000, -0.0000172400000000, -0.0006748500000000 ] - [ 0.0004387600000000, 0.0001065700000000, 0.0001568900000000 ] - [ -0.0001400600000000, 0.0002520100000000, -0.0004013400000000 ] - [ 0.0003354800000000, 0.0000579900000000, -0.0001202500000000 ] - [ -0.0005582400000000, -0.0007543000000000, 0.0000200900000000 ] - [ -0.0000840800000000, -0.0001724800000000, 0.0001301600000000 ] - [ -0.0003061700000000, -0.0002270700000000, 0.0001069700000000 ] - [ -0.0002848900000000, -0.0002090600000000, 0.0001775700000000 ] - [ 0.0006895400000000, -0.0002068400000000, -0.0002373400000000 ] - [ 0.0000943800000000, -0.0006317300000000, 0.0009272700000000 ] - [ 0.0001167100000000, -0.0001024800000000, 0.0000860500000000 ] - [ 0.0004158400000000, -0.0002237700000000, -0.0001871000000000 ] - [ 0.0008539400000000, 0.0002220600000000, 0.0003816600000000 ] - [ 0.0004625200000000, -0.0006686300000000, 0.0000136200000000 ] - [ 0.0005066000000000, 0.0001293500000000, 0.0003327000000000 ] - [ 0.0001335900000000, 0.0001219800000000, 0.0002764200000000 ] - [ -0.0005116100000000, 0.0001821600000000, -0.0003207300000000 ] - [ -0.0002706500000000, 0.0001722300000000, -0.0002705300000000 ] - [ -0.0009492700000000, 0.0000017000000000, -0.0003993800000000 ] - [ 0.0001047900000000, -0.0000123900000000, -0.0001438400000000 ] - [ -0.0003468600000000, 0.0001900100000000, 0.0002031100000000 ] - [ 0.0006975600000000, -0.0006591200000000, 0.0001568300000000 ] - [ 0.0001246100000000, 0.0001722100000000, -0.0000300300000000 ] - [ -0.0000457600000000, 0.0000677900000000, 0.0001024500000000 ] - [ 0.0004879800000000, -0.0001562800000000, 0.0002422100000000 ] - [ -0.0001410400000000, 0.0001453000000000, -0.0000408600000000 ] - [ -0.0000017100000000, 0.0002105000000000, 0.0001990800000000 ] - [ -0.0000839600000000, 0.0000648800000000, -0.0001100400000000 ] - [ 0.0058773800000000, -0.0029794100000000, -0.0042055800000000 ] - [ -0.0007043800000000, -0.0001418300000000, -0.0001362500000000 ] - [ -0.0003381900000000, -0.0001505100000000, 0.0001183500000000 ] - [ -0.0004735400000000, -0.0000866100000000, -0.0001115000000000 ] - [ 0.0001470700000000, -0.0001408500000000, 0.0001345200000000 ] - [ 0.0003990300000000, 0.0001143900000000, -0.0000395600000000 ] - [ 0.0006331600000000, -0.0001861600000000, -0.0001028000000000 ] - [ 0.0002492600000000, -0.0000519600000000, 0.0000416200000000 ] - [ -0.0000332700000000, 0.0001872100000000, 0.0004912400000000 ] - [ 0.0001065800000000, 0.0000763200000000, 0.0002048000000000 ] - [ 0.0050569300000000, 0.0007937500000000, 0.0041649900000000 ] - [ -0.0002079600000000, 0.0002510300000000, 0.0004731700000000 ] - [ 0.0005200600000000, -0.0001710800000000, -0.0003381900000000 ] - [ -0.0002849400000000, 0.0001787100000000, -0.0003785400000000 ] - [ -0.0001083700000000, 0.0002036300000000, -0.0003031000000000 ] - [ -0.0000826700000000, 0.0002153000000000, -0.0004115400000000 ] - [ 0.0001863400000000, 0.0000354100000000, -0.0000671600000000 ] - [ -0.0002256400000000, 0.0000188200000000, -0.0003301800000000 ] - [ 0.0007807000000000, -0.0005737500000000, -0.0005691500000000 ] - [ -0.0004932800000000, -0.0001173500000000, -0.0005075000000000 ] - [ -0.0001364100000000, 0.0000546300000000, 0.0002078200000000 ] - [ 0.0001849400000000, 0.0001422700000000, 0.0002175500000000 ] - [ 0.0000897900000000, 0.0000587900000000, 0.0002545500000000 ] - [ 0.0001670700000000, -0.0000041000000000, 0.0003072000000000 ]- atom: 81 displacement: [ -0.0099999730884809, 0.0000000000000000, 0.0000231997770880 ] forces: - [ -0.0129236500000000, -0.0094170200000000, 0.0043717500000000 ] - [ -0.0001215900000000, -0.0000378100000000, -0.0001427500000000 ] - [ -0.0004089900000000, -0.0002203500000000, -0.0004126900000000 ] - [ -0.0003384100000000, 0.0000398000000000, 0.0000627500000000 ] - [ -0.0002628800000000, 0.0001470000000000, -0.0003911400000000 ] - [ 0.0000739300000000, -0.0000182800000000, -0.0000930200000000 ] - [ -0.0005760300000000, -0.0011460200000000, -0.0012164900000000 ] - [ 0.0004854400000000, 0.0000255400000000, -0.0002269100000000 ] - [ 0.0001047800000000, -0.0008118300000000, 0.0006305500000000 ] - [ -0.0002785400000000, 0.0004167500000000, -0.0001890000000000 ] - [ 0.0000475100000000, -0.0000160500000000, 0.0001547800000000 ] - [ -0.0001818100000000, 0.0000289800000000, 0.0001876800000000 ] - [ 0.0005515000000000, -0.0001081800000000, 0.0001040100000000 ] - [ 0.0002985000000000, -0.0002041400000000, 0.0003211300000000 ] - [ -0.0000923900000000, -0.0001319300000000, 0.0001896300000000 ] - [ 0.0005355100000000, -0.0000327900000000, -0.0000393100000000 ] - [ 0.0003106400000000, -0.0005598000000000, -0.0001426300000000 ] - [ 0.0003913300000000, -0.0000699800000000, 0.0002201500000000 ] - [ 0.0000330200000000, 0.0001194500000000, 0.0000527000000000 ] - [ 0.0006935800000000, -0.0002743900000000, 0.0002401000000000 ] - [ 0.0010627200000000, -0.0005204900000000, 0.0000927400000000 ] - [ 0.0003942100000000, -0.0003363800000000, 0.0000425700000000 ] - [ -0.0004844600000000, -0.0001589500000000, -0.0000084700000000 ] - [ -0.0002714600000000, -0.0002412400000000, -0.0001490000000000 ] - [ 0.0005552400000000, -0.0001440000000000, 0.0003480500000000 ] - [ -0.0002981600000000, 0.0004236500000000, 0.0015349200000000 ] - [ 0.0001818000000000, -0.0000557300000000, 0.0005587700000000 ] - [ 0.0003260000000000, -0.0002357100000000, 0.0000538000000000 ] - [ -0.0006429800000000, 0.0002200700000000, 0.0000500000000000 ] - [ -0.0000790600000000, -0.0001393800000000, -0.0003952400000000 ] - [ -0.0002353800000000, -0.0001379400000000, -0.0003521400000000 ] - [ -0.0001996700000000, -0.0002380900000000, -0.0002746600000000 ] - [ -0.0002098700000000, 0.0001845300000000, 0.0000123600000000 ] - [ -0.0000495000000000, -0.0000124300000000, -0.0003062300000000 ] - [ 0.0001344200000000, 0.0002060600000000, -0.0001562600000000 ] - [ -0.0003773900000000, 0.0002054600000000, -0.0000752000000000 ] - [ -0.0011821700000000, -0.0029453600000000, 0.0020706300000000 ] - [ -0.0001469600000000, 0.0001380600000000, 0.0000004900000000 ] - [ 0.0000562500000000, 0.0002892800000000, 0.0002786600000000 ] - [ 0.0001360600000000, 0.0001419600000000, 0.0000052900000000 ] - [ -0.0014366300000000, -0.0031362500000000, 0.0006665300000000 ] - [ -0.0001901100000000, 0.0002180200000000, 0.0000809400000000 ] - [ 0.0002926200000000, 0.0002166100000000, 0.0000764100000000 ] - [ -0.0000616300000000, 0.0001874600000000, -0.0000504800000000 ] - [ -0.0002398300000000, 0.0002840800000000, 0.0001012300000000 ] - [ -0.0000432000000000, 0.0002255900000000, -0.0000361900000000 ] - [ 0.0004050900000000, 0.0003025100000000, -0.0000026800000000 ] - [ -0.0001850800000000, 0.0001831600000000, 0.0000589200000000 ] - [ 0.0004798800000000, -0.0008436300000000, 0.0001990400000000 ] - [ -0.0000363300000000, 0.0001541000000000, -0.0000060600000000 ] - [ 0.0000742000000000, 0.0002134600000000, 0.0000544500000000 ] - [ 0.0000812900000000, 0.0000951600000000, 0.0000073500000000 ] - [ -0.0011701200000000, 0.0005287200000000, -0.0005253000000000 ] - [ -0.0005757200000000, -0.0007428900000000, 0.0001448800000000 ] - [ 0.0000806000000000, -0.0002048800000000, -0.0000417300000000 ] - [ 0.0001602200000000, -0.0002108400000000, -0.0001096600000000 ] - [ -0.0002600100000000, 0.0001734800000000, 0.0000119500000000 ] - [ 0.0004600600000000, 0.0003139500000000, -0.0000175700000000 ] - [ -0.0004657900000000, 0.0002427800000000, -0.0004888000000000 ] - [ -0.0005098100000000, 0.0000400800000000, 0.0004818300000000 ] - [ -0.0001271300000000, -0.0002061100000000, 0.0001704400000000 ] - [ -0.0001492500000000, -0.0002018600000000, 0.0000355800000000 ] - [ 0.0001236500000000, -0.0000693100000000, 0.0002471700000000 ] - [ -0.0002777100000000, -0.0002086200000000, 0.0000485400000000 ] - [ -0.0002745000000000, 0.0002462400000000, -0.0004100000000000 ] - [ -0.0002654400000000, -0.0003482600000000, 0.0000721400000000 ] - [ -0.0000406000000000, -0.0001388700000000, -0.0001116500000000 ] - [ 0.0000336600000000, -0.0000902000000000, -0.0001474200000000 ] - [ -0.0000369200000000, -0.0002750500000000, 0.0007033100000000 ] - [ 0.0000678700000000, -0.0000752600000000, 0.0000762500000000 ] - [ 0.0006079700000000, 0.0002686500000000, 0.0002654100000000 ] - [ -0.0001729500000000, -0.0001126100000000, 0.0001468400000000 ] - [ -0.0001599200000000, -0.0000341200000000, -0.0000097600000000 ] - [ -0.0000264000000000, -0.0000275900000000, -0.0005110400000000 ] - [ -0.0002378100000000, -0.0002346600000000, -0.0002069300000000 ] - [ -0.0002612700000000, 0.0002842800000000, 0.0001874100000000 ] - [ 0.0007334700000000, -0.0003400400000000, -0.0006436600000000 ] - [ -0.0000729200000000, -0.0000108400000000, 0.0000100800000000 ] - [ 0.0000350400000000, -0.0000544200000000, 0.0000605500000000 ] - [ 0.0000365500000000, 0.0000175200000000, -0.0000199900000000 ] - [ 0.0302832800000000, 0.0115862000000000, -0.0074293200000000 ] - [ 0.0003081000000000, -0.0000793700000000, -0.0000602900000000 ] - [ 0.0004985600000000, -0.0000808300000000, 0.0000474800000000 ] - [ 0.0004683500000000, -0.0000915600000000, -0.0001266100000000 ] - [ -0.0005403000000000, -0.0000355500000000, 0.0001059200000000 ] - [ -0.0003977800000000, -0.0000610400000000, 0.0000024100000000 ] - [ -0.0003408400000000, -0.0002681000000000, -0.0001465800000000 ] - [ -0.0004904800000000, -0.0000388500000000, 0.0001460500000000 ] - [ -0.0005551500000000, -0.0002421100000000, 0.0003209400000000 ] - [ -0.0002766100000000, 0.0001303800000000, 0.0000873900000000 ] - [ -0.0002140300000000, 0.0000869500000000, 0.0001894200000000 ] - [ -0.0002378300000000, 0.0000923000000000, 0.0001330100000000 ] - [ -0.0001213000000000, 0.0001741900000000, 0.0003879500000000 ] - [ 0.0000072000000000, 0.0000533000000000, -0.0004379800000000 ] - [ 0.0005829400000000, -0.0000885700000000, 0.0001130800000000 ] - [ 0.0001092900000000, 0.0001003300000000, -0.0001644300000000 ] - [ 0.0000368200000000, 0.0003643800000000, 0.0002501900000000 ] - [ -0.0004411800000000, -0.0002206400000000, 0.0001381300000000 ] - [ -0.0002212100000000, -0.0001661400000000, 0.0001607500000000 ] - [ -0.0002384800000000, -0.0001838200000000, 0.0000913900000000 ] - [ -0.0001629400000000, -0.0001871200000000, -0.0000310400000000 ] - [ 0.0004300500000000, 0.0002317700000000, -0.0011819900000000 ] - [ 0.0004112500000000, -0.0002920800000000, -0.0003542500000000 ] - [ 0.0001100800000000, -0.0001697600000000, -0.0000815800000000 ] - [ -0.0000415300000000, 0.0001094800000000, 0.0001982600000000 ] - [ 0.0003498000000000, 0.0009893800000000, 0.0005625400000000 ] - [ 0.0003047400000000, 0.0002021600000000, 0.0002467900000000 ] - [ 0.0006802900000000, 0.0002115300000000, 0.0003011200000000 ] - [ -0.0002995200000000, 0.0001500200000000, -0.0002583800000000 ] - [ -0.0005406000000000, 0.0001602000000000, -0.0003078800000000 ] - [ 0.0001453400000000, 0.0003127200000000, -0.0001724800000000 ] - [ -0.0009187300000000, 0.0003470000000000, -0.0004364200000000 ] - [ 0.0003915100000000, 0.0000436300000000, -0.0001828200000000 ] - [ -0.0006056400000000, 0.0009271300000000, -0.0000997100000000 ] - [ -0.0000796400000000, 0.0000620000000000, 0.0000530500000000 ] - [ 0.0000892200000000, 0.0001661200000000, -0.0000782100000000 ] - [ -0.0005346200000000, 0.0003910700000000, -0.0002640100000000 ] - [ 0.0000965900000000, 0.0000891600000000, 0.0000178800000000 ] - [ -0.0000396000000000, 0.0000251900000000, -0.0002204100000000 ] - [ 0.0000380600000000, 0.0001692500000000, 0.0000882000000000 ] - [ -0.0067416200000000, 0.0028736300000000, 0.0043105800000000 ] - [ -0.0000547500000000, -0.0000838300000000, 0.0001011100000000 ] - [ -0.0004183800000000, -0.0000758000000000, -0.0001502200000000 ] - [ -0.0002845500000000, -0.0001390400000000, 0.0000787800000000 ] - [ 0.0006092000000000, -0.0000846800000000, -0.0001008000000000 ] - [ 0.0003616500000000, -0.0003391600000000, 0.0000728900000000 ] - [ 0.0001235300000000, -0.0000385700000000, 0.0001371000000000 ] - [ 0.0005072200000000, -0.0001735400000000, -0.0000078200000000 ] - [ 0.0002151000000000, 0.0002053500000000, 0.0002702400000000 ] - [ 0.0000779700000000, 0.0003170400000000, 0.0005553800000000 ] - [ -0.0049551400000000, -0.0004091600000000, -0.0035477300000000 ] - [ 0.0003884300000000, 0.0001431400000000, 0.0002885400000000 ] - [ -0.0007041500000000, 0.0005648500000000, -0.0004233800000000 ] - [ 0.0001018400000000, 0.0002137600000000, -0.0003832500000000 ] - [ -0.0000735300000000, 0.0001901100000000, -0.0004576700000000 ] - [ -0.0001002300000000, 0.0001785900000000, -0.0003495200000000 ] - [ -0.0004264300000000, 0.0000026700000000, -0.0004851100000000 ] - [ -0.0000132900000000, 0.0000186500000000, -0.0002232300000000 ] - [ -0.0009682500000000, 0.0006103300000000, -0.0000533300000000 ] - [ 0.0002547100000000, 0.0001557500000000, -0.0000436400000000 ] - [ 0.0003737400000000, -0.0000178200000000, 0.0003442400000000 ] - [ 0.0000570200000000, -0.0001044000000000, 0.0003348700000000 ] - [ 0.0001490600000000, -0.0000209000000000, 0.0002970700000000 ] - [ 0.0000711800000000, 0.0000408100000000, 0.0002466200000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0080535700000000, 0.0505302500000000, -0.0187963300000000 ] - [ -0.0004100200000000, -0.0000771300000000, -0.0002699900000000 ] - [ -0.0004065400000000, -0.0000450800000000, -0.0000546500000000 ] - [ -0.0003511500000000, -0.0000986900000000, -0.0001694000000000 ] - [ 0.0001702500000000, -0.0000469700000000, -0.0002832900000000 ] - [ 0.0000489800000000, 0.0000126800000000, -0.0002138200000000 ] - [ 0.0008975800000000, 0.0008376900000000, -0.0008741600000000 ] - [ -0.0001345700000000, -0.0000147500000000, -0.0002081800000000 ] - [ 0.0002111800000000, -0.0001379700000000, 0.0004077600000000 ] - [ -0.0005191500000000, 0.0003089400000000, 0.0002463200000000 ] - [ -0.0001035800000000, 0.0000387200000000, 0.0002074900000000 ] - [ -0.0001801000000000, -0.0000620300000000, 0.0001785000000000 ] - [ 0.0003856200000000, -0.0000607400000000, 0.0001957700000000 ] - [ 0.0009119600000000, -0.0000428500000000, 0.0005751300000000 ] - [ 0.0015217600000000, -0.0002546600000000, 0.0011191700000000 ] - [ 0.0003215300000000, -0.0002200300000000, 0.0003277300000000 ] - [ 0.0003740300000000, -0.0005162600000000, -0.0000189800000000 ] - [ 0.0005695800000000, -0.0003521500000000, -0.0001928000000000 ] - [ 0.0000815000000000, -0.0006590700000000, 0.0005114500000000 ] - [ 0.0003605200000000, -0.0002289900000000, 0.0001222000000000 ] - [ -0.0025208400000000, -0.0002083900000000, -0.0000924600000000 ] - [ -0.0002809800000000, -0.0001751200000000, 0.0000379500000000 ] - [ -0.0003881400000000, -0.0002240200000000, -0.0000516800000000 ] - [ -0.0002310100000000, -0.0001821000000000, 0.0000162600000000 ] - [ -0.0000147600000000, -0.0000755000000000, 0.0003512900000000 ] - [ 0.0006889700000000, 0.0021197900000000, -0.0014939100000000 ] - [ 0.0001884300000000, -0.0000960100000000, 0.0004181000000000 ] - [ 0.0001573100000000, -0.0001421500000000, 0.0004850200000000 ] - [ -0.0013750700000000, -0.0012150000000000, -0.0019056000000000 ] - [ -0.0002146200000000, -0.0001980200000000, -0.0003055800000000 ] - [ -0.0003127400000000, -0.0001557100000000, -0.0003298100000000 ] - [ -0.0001763400000000, -0.0000297300000000, -0.0003834400000000 ] - [ -0.0000778400000000, 0.0002614600000000, -0.0001288900000000 ] - [ -0.0000746400000000, 0.0004636000000000, 0.0000666600000000 ] - [ -0.0002580000000000, 0.0003774000000000, -0.0003965000000000 ] - [ -0.0000298400000000, 0.0002191000000000, -0.0001281100000000 ] - [ 0.0048021300000000, -0.0035040400000000, -0.0026426800000000 ] - [ 0.0000430600000000, 0.0001509100000000, 0.0001016100000000 ] - [ 0.0001535800000000, 0.0001273100000000, 0.0000306000000000 ] - [ 0.0000490400000000, 0.0001761300000000, 0.0000562300000000 ] - [ 0.0035945200000000, 0.0011869500000000, 0.0025374300000000 ] - [ 0.0001607100000000, 0.0002162900000000, 0.0000133100000000 ] - [ 0.0001479100000000, 0.0002055300000000, -0.0000891900000000 ] - [ 0.0000534500000000, 0.0001441300000000, 0.0000073100000000 ] - [ -0.0000919700000000, 0.0003091600000000, 0.0000260300000000 ] - [ -0.0006829200000000, 0.0004302500000000, -0.0003164000000000 ] - [ -0.0009980100000000, 0.0007314400000000, -0.0010823400000000 ] - [ -0.0001215000000000, 0.0002734200000000, -0.0000886700000000 ] - [ 0.0007220600000000, 0.0038141200000000, -0.0008875400000000 ] - [ 0.0001250100000000, 0.0002163600000000, 0.0000062400000000 ] - [ 0.0001010100000000, 0.0002270600000000, -0.0000459100000000 ] - [ 0.0000838600000000, 0.0003221400000000, -0.0001617200000000 ] - [ -0.0007645800000000, -0.0003360000000000, -0.0002431200000000 ] - [ 0.0006435900000000, -0.0001992300000000, -0.0002034600000000 ] - [ 0.0001310400000000, -0.0001968000000000, -0.0001202800000000 ] - [ 0.0001071300000000, -0.0001934100000000, -0.0000987800000000 ] - [ -0.0000391200000000, 0.0000644700000000, 0.0000196000000000 ] - [ -0.0000417900000000, -0.0008831300000000, 0.0008781800000000 ] - [ -0.0000654100000000, 0.0000275700000000, -0.0001275500000000 ] - [ 0.0000502000000000, 0.0001843300000000, -0.0001576200000000 ] - [ -0.0000847800000000, -0.0001145300000000, 0.0000754400000000 ] - [ -0.0001381900000000, -0.0001888300000000, 0.0000495800000000 ] - [ -0.0003551200000000, 0.0002011400000000, 0.0006398300000000 ] - [ -0.0000845200000000, -0.0001416700000000, 0.0001086400000000 ] - [ -0.0004274100000000, 0.0003041300000000, -0.0004449200000000 ] - [ 0.0002367900000000, 0.0001451900000000, -0.0003237300000000 ] - [ 0.0000288000000000, -0.0001101000000000, -0.0002501100000000 ] - [ 0.0000349300000000, -0.0000897100000000, -0.0001689500000000 ] - [ -0.0000818400000000, -0.0000390300000000, -0.0001065400000000 ] - [ -0.0000285100000000, -0.0001821600000000, 0.0001689600000000 ] - [ -0.0001739400000000, -0.0001030300000000, 0.0010669200000000 ] - [ 0.0000314900000000, -0.0001651100000000, 0.0001843800000000 ] - [ 0.0000244400000000, -0.0000057800000000, -0.0000606500000000 ] - [ -0.0004086900000000, -0.0001282900000000, -0.0005210400000000 ] - [ -0.0001623400000000, -0.0001572200000000, -0.0000918200000000 ] - [ 0.0002069400000000, -0.0003156700000000, -0.0001826000000000 ] - [ -0.0002066200000000, 0.0018091300000000, 0.0015588600000000 ] - [ 0.0000604800000000, 0.0000032200000000, 0.0000120500000000 ] - [ 0.0000677600000000, 0.0000004000000000, -0.0000223700000000 ] - [ -0.0000182000000000, -0.0000962200000000, -0.0001610800000000 ] - [ -0.0106571200000000, -0.0611411400000000, 0.0162306600000000 ] - [ 0.0004906100000000, -0.0001248400000000, -0.0000260800000000 ] - [ 0.0004922700000000, -0.0001340800000000, -0.0000831900000000 ] - [ 0.0005033100000000, -0.0000241400000000, -0.0000783900000000 ] - [ -0.0004468400000000, -0.0000540400000000, 0.0000525900000000 ] - [ -0.0004726700000000, -0.0001259500000000, 0.0001121700000000 ] - [ -0.0006787500000000, 0.0003393200000000, 0.0000828800000000 ] - [ -0.0004504600000000, -0.0000219400000000, 0.0000109100000000 ] - [ 0.0000640700000000, 0.0005329400000000, -0.0001802700000000 ] - [ -0.0002602000000000, 0.0000492500000000, 0.0001736500000000 ] - [ -0.0002082200000000, 0.0001433300000000, 0.0001819800000000 ] - [ -0.0002286500000000, 0.0000858600000000, 0.0001008300000000 ] - [ -0.0004625700000000, -0.0000986300000000, 0.0006079800000000 ] - [ 0.0004596600000000, 0.0001082300000000, 0.0002213300000000 ] - [ 0.0002520500000000, 0.0003738500000000, -0.0006869400000000 ] - [ 0.0002141900000000, 0.0000840500000000, -0.0001860900000000 ] - [ 0.0001196400000000, 0.0002120600000000, 0.0003948500000000 ] - [ -0.0002419300000000, -0.0001610400000000, 0.0001770200000000 ] - [ -0.0001255100000000, -0.0000928700000000, 0.0000756000000000 ] - [ -0.0004167600000000, -0.0002131500000000, 0.0000971400000000 ] - [ 0.0005413700000000, -0.0003583100000000, -0.0001868100000000 ] - [ -0.0000893300000000, -0.0006428300000000, 0.0001275700000000 ] - [ 0.0003633300000000, -0.0002582000000000, -0.0002292100000000 ] - [ 0.0002753700000000, -0.0002148400000000, -0.0001350000000000 ] - [ 0.0006711700000000, 0.0002428100000000, 0.0003935100000000 ] - [ -0.0001753700000000, 0.0000823400000000, 0.0005053900000000 ] - [ 0.0004539700000000, 0.0001766800000000, 0.0002928600000000 ] - [ 0.0005302100000000, 0.0001652200000000, 0.0002537700000000 ] - [ -0.0003822500000000, 0.0001681300000000, -0.0003101000000000 ] - [ -0.0003998300000000, 0.0001668900000000, -0.0002983000000000 ] - [ 0.0001407400000000, 0.0012883400000000, -0.0008580800000000 ] - [ -0.0005587800000000, 0.0002348500000000, -0.0003120800000000 ] - [ 0.0002186200000000, 0.0001781600000000, -0.0001536900000000 ] - [ -0.0014677900000000, -0.0003207800000000, -0.0009560400000000 ] - [ 0.0000956100000000, 0.0001654400000000, 0.0001252300000000 ] - [ 0.0000107200000000, 0.0001412500000000, 0.0000675000000000 ] - [ -0.0000301000000000, -0.0001120800000000, 0.0002132600000000 ] - [ -0.0000442400000000, 0.0000680200000000, -0.0000241700000000 ] - [ 0.0002296300000000, 0.0001617800000000, -0.0001812900000000 ] - [ 0.0000574900000000, 0.0000456100000000, -0.0000491000000000 ] - [ -0.0018313400000000, 0.0019462400000000, 0.0014905800000000 ] - [ -0.0005563900000000, -0.0000802300000000, -0.0001279300000000 ] - [ -0.0004760400000000, -0.0000684800000000, 0.0001226100000000 ] - [ -0.0003567600000000, -0.0000955700000000, 0.0000533300000000 ] - [ 0.0002048600000000, -0.0001877900000000, 0.0001023500000000 ] - [ 0.0006218300000000, -0.0000716600000000, 0.0000744900000000 ] - [ 0.0001517300000000, -0.0001732900000000, -0.0002391700000000 ] - [ 0.0003329300000000, -0.0001230200000000, 0.0000257800000000 ] - [ 0.0001224800000000, 0.0003462100000000, 0.0004005800000000 ] - [ 0.0001136400000000, 0.0003002700000000, 0.0003379600000000 ] - [ 0.0018694700000000, 0.0016936800000000, 0.0027366800000000 ] - [ -0.0000330700000000, 0.0002837500000000, 0.0004768100000000 ] - [ -0.0000679400000000, -0.0007406400000000, -0.0003165600000000 ] - [ -0.0001606600000000, 0.0001116800000000, -0.0003814200000000 ] - [ -0.0001203300000000, 0.0001434600000000, -0.0003146800000000 ] - [ -0.0000315900000000, 0.0002332700000000, -0.0002543800000000 ] - [ -0.0000274600000000, 0.0003554600000000, -0.0001650200000000 ] - [ -0.0001690300000000, 0.0000873100000000, -0.0002620800000000 ] - [ -0.0022169900000000, 0.0017427600000000, 0.0017482900000000 ] - [ -0.0000154900000000, 0.0001531500000000, -0.0001645800000000 ] - [ 0.0000984700000000, -0.0001976600000000, 0.0001849100000000 ] - [ 0.0003724500000000, -0.0004631300000000, 0.0002927300000000 ] - [ 0.0001006800000000, -0.0000193300000000, 0.0003436400000000 ] - [ 0.0001205400000000, -0.0000633100000000, 0.0003598700000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0096479700000000, -0.0525471600000000, 0.0195016900000000 ] - [ -0.0003767700000000, -0.0001131600000000, -0.0000278500000000 ] - [ -0.0003767500000000, -0.0001467400000000, -0.0002468600000000 ] - [ -0.0004350000000000, -0.0000923300000000, -0.0001290900000000 ] - [ -0.0000096200000000, 0.0000606700000000, -0.0000874900000000 ] - [ 0.0001125100000000, -0.0000006900000000, -0.0001566500000000 ] - [ -0.0007500200000000, -0.0009073000000000, 0.0005137400000000 ] - [ 0.0002993400000000, 0.0000283200000000, -0.0001614600000000 ] - [ -0.0003709600000000, 0.0001558700000000, -0.0000397500000000 ] - [ 0.0003626200000000, -0.0002877100000000, 0.0001265400000000 ] - [ -0.0000582400000000, -0.0000278900000000, 0.0001636800000000 ] - [ 0.0000187300000000, 0.0000723900000000, 0.0001886300000000 ] - [ 0.0004008900000000, -0.0001283400000000, 0.0001040500000000 ] - [ -0.0001343600000000, -0.0001452600000000, -0.0002824200000000 ] - [ -0.0007369300000000, 0.0000702100000000, -0.0008168500000000 ] - [ 0.0004660200000000, 0.0000343100000000, -0.0000315400000000 ] - [ 0.0002798600000000, 0.0000805700000000, 0.0001586400000000 ] - [ 0.0000822000000000, -0.0000817300000000, 0.0003345300000000 ] - [ 0.0005696600000000, 0.0002307300000000, -0.0003720500000000 ] - [ 0.0002963000000000, -0.0002061800000000, 0.0000164600000000 ] - [ 0.0018854200000000, -0.0002286500000000, -0.0000513800000000 ] - [ -0.0003702000000000, -0.0002628700000000, -0.0001793000000000 ] - [ -0.0002647300000000, -0.0002145900000000, -0.0000910100000000 ] - [ -0.0004237200000000, -0.0002558300000000, -0.0001590800000000 ] - [ 0.0004289700000000, -0.0002284600000000, 0.0003085600000000 ] - [ -0.0002846000000000, -0.0024377300000000, 0.0021903500000000 ] - [ 0.0002233300000000, -0.0002095000000000, 0.0002392800000000 ] - [ 0.0002570500000000, -0.0001635800000000, 0.0001730700000000 ] - [ 0.0009704400000000, 0.0009056300000000, 0.0012486100000000 ] - [ -0.0001978800000000, -0.0001049900000000, -0.0003561900000000 ] - [ -0.0000996500000000, -0.0001484800000000, -0.0003312900000000 ] - [ -0.0002337200000000, -0.0002737400000000, -0.0002769100000000 ] - [ -0.0001545200000000, 0.0001158800000000, -0.0000291500000000 ] - [ -0.0001556700000000, -0.0000876100000000, -0.0002252900000000 ] - [ 0.0000284800000000, -0.0000016000000000, 0.0002365300000000 ] - [ -0.0002023400000000, 0.0001572800000000, -0.0000292400000000 ] - [ -0.0046155300000000, 0.0038997400000000, 0.0028296700000000 ] - [ 0.0001872400000000, 0.0002263700000000, 0.0000551400000000 ] - [ 0.0000776500000000, 0.0002516100000000, 0.0001294300000000 ] - [ 0.0001831600000000, 0.0002014700000000, 0.0001023700000000 ] - [ -0.0034524700000000, -0.0007892300000000, -0.0025121000000000 ] - [ 0.0000288100000000, 0.0002321800000000, 0.0000111400000000 ] - [ 0.0000424900000000, 0.0002431000000000, 0.0001150400000000 ] - [ 0.0001377800000000, 0.0003049000000000, 0.0000169000000000 ] - [ -0.0001010000000000, 0.0001398700000000, -0.0000501100000000 ] - [ 0.0004978200000000, 0.0000165100000000, 0.0002954900000000 ] - [ 0.0007976300000000, -0.0002883600000000, 0.0010520900000000 ] - [ -0.0000727700000000, 0.0001737500000000, 0.0000660400000000 ] - [ -0.0005597900000000, -0.0034560100000000, 0.0008565100000000 ] - [ 0.0000443900000000, 0.0001208400000000, -0.0000324000000000 ] - [ 0.0000684800000000, 0.0001101600000000, 0.0000207000000000 ] - [ 0.0000854900000000, 0.0000169500000000, 0.0001347300000000 ] - [ 0.0010185400000000, -0.0000662900000000, 0.0000716700000000 ] - [ -0.0004072400000000, -0.0002023800000000, 0.0000314100000000 ] - [ 0.0001127000000000, -0.0001983400000000, -0.0000510400000000 ] - [ 0.0001369500000000, -0.0002021200000000, -0.0000716500000000 ] - [ -0.0001315600000000, 0.0002739800000000, 0.0000063900000000 ] - [ -0.0001272700000000, 0.0012302400000000, -0.0008507200000000 ] - [ -0.0000986300000000, 0.0003093300000000, 0.0001598200000000 ] - [ -0.0002261500000000, 0.0001518700000000, 0.0001901900000000 ] - [ -0.0001590700000000, -0.0002810500000000, 0.0000967900000000 ] - [ -0.0001055100000000, -0.0002060200000000, 0.0001223300000000 ] - [ 0.0001159900000000, -0.0006106500000000, -0.0004869400000000 ] - [ -0.0001601400000000, -0.0002541100000000, 0.0000622500000000 ] - [ 0.0004363500000000, -0.0005252400000000, 0.0001496900000000 ] - [ -0.0002275800000000, -0.0003683500000000, 0.0000262400000000 ] - [ -0.0000195900000000, -0.0001099400000000, -0.0000463600000000 ] - [ -0.0000255900000000, -0.0001293100000000, -0.0001250800000000 ] - [ 0.0000738100000000, -0.0001829000000000, 0.0004066300000000 ] - [ 0.0000197100000000, -0.0000366600000000, 0.0001262700000000 ] - [ 0.0001672600000000, -0.0000907100000000, -0.0007693500000000 ] - [ -0.0000418900000000, -0.0000540400000000, 0.0001108800000000 ] - [ -0.0000910200000000, -0.0000391300000000, 0.0000343900000000 ] - [ 0.0003437300000000, 0.0000857600000000, 0.0004971300000000 ] - [ 0.0001025200000000, 0.0001135700000000, 0.0000713900000000 ] - [ -0.0002766100000000, 0.0002758700000000, 0.0001570900000000 ] - [ 0.0002668500000000, -0.0018462000000000, -0.0015142000000000 ] - [ 0.0000066800000000, -0.0000483400000000, 0.0000150400000000 ] - [ 0.0000003700000000, -0.0000452400000000, 0.0000504800000000 ] - [ 0.0000846500000000, 0.0000509000000000, 0.0001873600000000 ] - [ 0.0125296200000000, 0.0627902300000000, -0.0175291700000000 ] - [ 0.0004597100000000, -0.0000006000000000, -0.0001109300000000 ] - [ 0.0004579600000000, 0.0000074600000000, -0.0000517100000000 ] - [ 0.0004475900000000, -0.0001021000000000, -0.0000572900000000 ] - [ -0.0005037400000000, -0.0000728600000000, 0.0000834200000000 ] - [ -0.0004776800000000, 0.0000013300000000, 0.0000254100000000 ] - [ -0.0002724500000000, -0.0004671600000000, 0.0000510000000000 ] - [ -0.0004999500000000, -0.0001048100000000, 0.0001250700000000 ] - [ -0.0005087400000000, -0.0003714100000000, 0.0004671000000000 ] - [ -0.0001853800000000, 0.0001137100000000, 0.0001100200000000 ] - [ -0.0002373800000000, 0.0000190800000000, 0.0001044500000000 ] - [ -0.0002169900000000, 0.0000758700000000, 0.0001843800000000 ] - [ 0.0009065400000000, 0.0002607000000000, -0.0008878600000000 ] - [ -0.0000133100000000, 0.0000536800000000, -0.0005034500000000 ] - [ 0.0001951100000000, -0.0002177900000000, 0.0004047400000000 ] - [ 0.0002312500000000, 0.0000781000000000, -0.0000972400000000 ] - [ -0.0006422300000000, -0.0006093100000000, -0.0001290600000000 ] - [ -0.0002820800000000, -0.0002321100000000, 0.0000907200000000 ] - [ -0.0003981100000000, -0.0003001300000000, 0.0001921300000000 ] - [ -0.0001098800000000, -0.0001806800000000, 0.0001703800000000 ] - [ -0.0000189100000000, -0.0000329400000000, -0.0000798500000000 ] - [ 0.0006183400000000, 0.0002523900000000, -0.0004048600000000 ] - [ 0.0001581600000000, -0.0001329300000000, -0.0000364600000000 ] - [ 0.0002477900000000, -0.0001774800000000, -0.0001325100000000 ] - [ 0.0001347600000000, 0.0000885600000000, 0.0001835700000000 ] - [ 0.0009957400000000, 0.0002584900000000, 0.0000736700000000 ] - [ 0.0003554300000000, 0.0001558200000000, 0.0002857600000000 ] - [ 0.0002792700000000, 0.0001671900000000, 0.0003257400000000 ] - [ -0.0004274600000000, 0.0001640900000000, -0.0002680400000000 ] - [ -0.0004094100000000, 0.0001649700000000, -0.0002799600000000 ] - [ -0.0009431500000000, -0.0009477800000000, 0.0002671600000000 ] - [ -0.0002497400000000, 0.0000955900000000, -0.0002662400000000 ] - [ -0.0001743500000000, 0.0000518500000000, 0.0001799700000000 ] - [ 0.0015434400000000, 0.0005829500000000, 0.0010042000000000 ] - [ -0.0000509300000000, 0.0000654200000000, -0.0001032100000000 ] - [ 0.0000343200000000, 0.0000888100000000, -0.0000460200000000 ] - [ -0.0000118700000000, 0.0003441900000000, -0.0002418000000000 ] - [ 0.0000002600000000, 0.0001618200000000, 0.0000014300000000 ] - [ -0.0002740500000000, 0.0000621900000000, 0.0001596500000000 ] - [ -0.0001016300000000, 0.0001832400000000, 0.0000268700000000 ] - [ 0.0009866800000000, -0.0021210300000000, -0.0014329300000000 ] - [ -0.0001984500000000, -0.0001459300000000, 0.0001004500000000 ] - [ -0.0002808600000000, -0.0001579500000000, -0.0001536300000000 ] - [ -0.0004004200000000, -0.0001308400000000, -0.0000846900000000 ] - [ 0.0005527200000000, -0.0000385400000000, -0.0000723600000000 ] - [ 0.0001316000000000, -0.0001565800000000, -0.0000451900000000 ] - [ 0.0006027700000000, -0.0000597000000000, 0.0002729500000000 ] - [ 0.0004240200000000, -0.0001037300000000, 0.0000039100000000 ] - [ 0.0000609500000000, 0.0000492700000000, 0.0003582300000000 ] - [ 0.0000673600000000, 0.0000959300000000, 0.0004209400000000 ] - [ -0.0016861100000000, -0.0012808700000000, -0.0019766700000000 ] - [ 0.0002179600000000, 0.0001103800000000, 0.0002820600000000 ] - [ -0.0001123900000000, 0.0011455200000000, -0.0004444000000000 ] - [ -0.0000216200000000, 0.0002845100000000, -0.0003782000000000 ] - [ -0.0000617100000000, 0.0002516000000000, -0.0004458000000000 ] - [ -0.0001516900000000, 0.0001617300000000, -0.0005065600000000 ] - [ -0.0002125300000000, -0.0003158300000000, -0.0003865400000000 ] - [ -0.0000697200000000, -0.0000458600000000, -0.0002864000000000 ] - [ 0.0019951300000000, -0.0016848500000000, -0.0023137700000000 ] - [ -0.0002256800000000, -0.0001136800000000, -0.0003842400000000 ] - [ 0.0001419700000000, 0.0002397600000000, 0.0003630300000000 ] - [ -0.0001378700000000, 0.0005066700000000, 0.0002549400000000 ] - [ 0.0001380600000000, 0.0000595300000000, 0.0002044600000000 ] - [ 0.0001182300000000, 0.0001047500000000, 0.0001869900000000 ]- atom: 81 displacement: [ -0.0045549923526468, 0.0000000000000000, 0.0089023617466001 ] forces: - [ -0.0104019100000000, -0.0217285500000000, 0.0196835700000000 ] - [ -0.0002584900000000, -0.0001046900000000, -0.0000898200000000 ] - [ -0.0001909800000000, -0.0003155100000000, -0.0006906500000000 ] - [ -0.0006256300000000, -0.0002846300000000, -0.0003765400000000 ] - [ -0.0000365900000000, 0.0001796800000000, -0.0000740000000000 ] - [ -0.0000284600000000, 0.0000103800000000, -0.0001955100000000 ] - [ 0.0000841100000000, -0.0021376500000000, -0.0003775300000000 ] - [ 0.0003499000000000, -0.0000350400000000, -0.0002272800000000 ] - [ -0.0001112200000000, -0.0001240000000000, 0.0005269500000000 ] - [ 0.0002115700000000, 0.0001938300000000, 0.0001612800000000 ] - [ -0.0001131900000000, -0.0000134000000000, 0.0001498900000000 ] - [ -0.0000747500000000, -0.0000444100000000, 0.0001315800000000 ] - [ 0.0006051100000000, -0.0001131000000000, 0.0001236100000000 ] - [ 0.0001094200000000, -0.0001955900000000, -0.0000013400000000 ] - [ -0.0004197300000000, -0.0000162900000000, -0.0002281400000000 ] - [ 0.0005287900000000, -0.0000240600000000, -0.0000506500000000 ] - [ 0.0004914700000000, -0.0006478300000000, -0.0001819900000000 ] - [ 0.0001290700000000, -0.0001660800000000, 0.0001395000000000 ] - [ 0.0002434900000000, 0.0004759300000000, 0.0000839300000000 ] - [ 0.0005161100000000, -0.0002496900000000, 0.0001657200000000 ] - [ 0.0009717100000000, 0.0002873300000000, 0.0013284800000000 ] - [ 0.0000282600000000, -0.0000557900000000, 0.0006039300000000 ] - [ -0.0002775300000000, -0.0001381600000000, -0.0003243900000000 ] - [ -0.0004092300000000, -0.0003350100000000, -0.0003220600000000 ] - [ 0.0003731800000000, -0.0001919800000000, 0.0002658600000000 ] - [ -0.0012212500000000, -0.0022280100000000, 0.0020287400000000 ] - [ -0.0000272300000000, -0.0001940900000000, 0.0001621500000000 ] - [ 0.0004300100000000, -0.0002689800000000, -0.0000855900000000 ] - [ -0.0000583900000000, 0.0003579000000000, 0.0000372000000000 ] - [ -0.0002082700000000, -0.0001017300000000, -0.0003835300000000 ] - [ -0.0000160000000000, -0.0001574800000000, -0.0003575000000000 ] - [ -0.0002692700000000, -0.0002555300000000, -0.0002792800000000 ] - [ -0.0002358300000000, 0.0001916200000000, -0.0000121700000000 ] - [ -0.0000522700000000, 0.0000353100000000, -0.0001132200000000 ] - [ 0.0002216200000000, 0.0001125800000000, 0.0000172900000000 ] - [ -0.0003379300000000, 0.0001848900000000, -0.0000521600000000 ] - [ -0.0029669800000000, -0.0025131800000000, 0.0025554200000000 ] - [ -0.0001550900000000, 0.0001109100000000, -0.0001351800000000 ] - [ -0.0000451200000000, 0.0003458100000000, 0.0003660600000000 ] - [ 0.0002593000000000, 0.0002646900000000, 0.0002083600000000 ] - [ -0.0003401800000000, 0.0005074800000000, -0.0021360200000000 ] - [ 0.0001129300000000, 0.0001685800000000, -0.0001055600000000 ] - [ -0.0000071700000000, 0.0002602800000000, 0.0003342200000000 ] - [ 0.0003279300000000, 0.0003938400000000, 0.0002674700000000 ] - [ -0.0003328700000000, 0.0002913100000000, 0.0001386000000000 ] - [ 0.0001730900000000, 0.0001853100000000, 0.0000872800000000 ] - [ 0.0005455700000000, -0.0000937900000000, 0.0002966600000000 ] - [ -0.0001560000000000, 0.0001812600000000, 0.0000391200000000 ] - [ 0.0000802300000000, -0.0016070900000000, 0.0004054000000000 ] - [ 0.0000196700000000, 0.0001639700000000, -0.0000333500000000 ] - [ -0.0000485700000000, 0.0001690800000000, 0.0001702000000000 ] - [ 0.0002004100000000, 0.0001420500000000, 0.0001435100000000 ] - [ -0.0001142400000000, -0.0000185200000000, -0.0007636400000000 ] - [ -0.0005150700000000, -0.0005905500000000, -0.0003555300000000 ] - [ 0.0001082700000000, -0.0002166100000000, 0.0000419900000000 ] - [ 0.0001331800000000, -0.0001026500000000, 0.0000590600000000 ] - [ -0.0001547100000000, 0.0001588300000000, -0.0000208500000000 ] - [ 0.0003202800000000, 0.0001379500000000, 0.0002666900000000 ] - [ 0.0004241700000000, 0.0000429200000000, 0.0005203400000000 ] - [ -0.0007007000000000, 0.0000360800000000, 0.0006404700000000 ] - [ -0.0002292700000000, -0.0002193600000000, 0.0002396800000000 ] - [ -0.0000441400000000, -0.0001931900000000, 0.0001619700000000 ] - [ -0.0000107100000000, -0.0000010900000000, 0.0000041000000000 ] - [ -0.0002352600000000, -0.0002483200000000, 0.0000016600000000 ] - [ -0.0002995500000000, 0.0002356600000000, -0.0006460800000000 ] - [ -0.0000160500000000, -0.0001765800000000, -0.0002085400000000 ] - [ -0.0000347600000000, -0.0001218100000000, 0.0000053300000000 ] - [ 0.0000227400000000, -0.0000770200000000, -0.0000143500000000 ] - [ -0.0000873000000000, -0.0003607200000000, 0.0007843500000000 ] - [ 0.0000785500000000, -0.0001148100000000, 0.0001257700000000 ] - [ 0.0003252600000000, 0.0024995900000000, 0.0016116800000000 ] - [ -0.0000846500000000, -0.0000803800000000, 0.0001214600000000 ] - [ -0.0000979900000000, -0.0000011000000000, -0.0000314200000000 ] - [ 0.0008450000000000, -0.0003700900000000, 0.0015742400000000 ] - [ 0.0003953500000000, 0.0002197500000000, 0.0002072200000000 ] - [ -0.0004402800000000, 0.0003645800000000, 0.0002450800000000 ] - [ 0.0006156100000000, -0.0001594900000000, -0.0009368200000000 ] - [ -0.0000306200000000, -0.0000401200000000, 0.0000043500000000 ] - [ -0.0000177100000000, -0.0000688800000000, 0.0000947200000000 ] - [ 0.0001348300000000, 0.0000043000000000, 0.0001681200000000 ] - [ 0.0206317600000000, 0.0205116500000000, -0.0397023100000000 ] - [ 0.0003925700000000, -0.0000316100000000, -0.0001139600000000 ] - [ 0.0003832900000000, -0.0000839800000000, 0.0001735200000000 ] - [ 0.0005246700000000, -0.0000846300000000, 0.0000421900000000 ] - [ -0.0005387300000000, -0.0000357400000000, 0.0001177300000000 ] - [ -0.0003805800000000, -0.0001013800000000, 0.0000999400000000 ] - [ -0.0002239000000000, -0.0001684300000000, -0.0000437600000000 ] - [ -0.0005514800000000, -0.0000007500000000, 0.0000915700000000 ] - [ -0.0004741900000000, -0.0002886400000000, -0.0001724600000000 ] - [ -0.0001986000000000, 0.0001219500000000, -0.0000658400000000 ] - [ -0.0002097600000000, 0.0000722800000000, 0.0004034600000000 ] - [ -0.0002251700000000, 0.0000672300000000, 0.0002381000000000 ] - [ -0.0002047300000000, 0.0002515700000000, 0.0004264900000000 ] - [ 0.0002230000000000, 0.0001079800000000, -0.0002466300000000 ] - [ 0.0002893700000000, -0.0005039200000000, 0.0003939100000000 ] - [ 0.0001856100000000, 0.0000759900000000, -0.0001420000000000 ] - [ -0.0002639900000000, 0.0003673400000000, 0.0001357200000000 ] - [ -0.0003221400000000, -0.0002174300000000, 0.0000876900000000 ] - [ -0.0004333300000000, -0.0001833000000000, 0.0002705800000000 ] - [ -0.0001522800000000, -0.0001946500000000, 0.0001492400000000 ] - [ 0.0000620700000000, -0.0002261400000000, -0.0000594100000000 ] - [ 0.0011442200000000, 0.0000525400000000, -0.0004959300000000 ] - [ 0.0003247000000000, -0.0000283900000000, 0.0000940600000000 ] - [ -0.0000018600000000, -0.0001569800000000, -0.0000573200000000 ] - [ 0.0000322000000000, 0.0001131400000000, 0.0001163200000000 ] - [ -0.0000502500000000, 0.0009680100000000, 0.0003220300000000 ] - [ 0.0005671800000000, 0.0001900700000000, 0.0003190800000000 ] - [ -0.0000654700000000, 0.0000874700000000, 0.0003456100000000 ] - [ -0.0004054700000000, 0.0002188300000000, -0.0001833900000000 ] - [ -0.0003800700000000, 0.0001382100000000, -0.0002293200000000 ] - [ -0.0005663700000000, -0.0003868600000000, -0.0000611300000000 ] - [ -0.0005800400000000, 0.0002075400000000, -0.0004106000000000 ] - [ 0.0002602900000000, 0.0001235700000000, 0.0000735200000000 ] - [ 0.0006288700000000, 0.0008252700000000, 0.0022656000000000 ] - [ -0.0000935700000000, 0.0001485800000000, -0.0003071900000000 ] - [ 0.0001802600000000, 0.0001641800000000, -0.0002145100000000 ] - [ -0.0000654900000000, 0.0007906600000000, -0.0002254800000000 ] - [ -0.0000114500000000, 0.0000908900000000, 0.0000123900000000 ] - [ 0.0003545800000000, -0.0001095100000000, -0.0003052500000000 ] - [ -0.0001550100000000, 0.0001542800000000, 0.0000375900000000 ] - [ -0.0075162900000000, 0.0039318500000000, 0.0065437200000000 ] - [ -0.0002150000000000, -0.0000692900000000, 0.0001603100000000 ] - [ -0.0002835400000000, -0.0000990400000000, -0.0003504500000000 ] - [ -0.0005171800000000, -0.0001321000000000, -0.0001699800000000 ] - [ 0.0006374500000000, -0.0000797200000000, -0.0000375500000000 ] - [ -0.0001254500000000, 0.0001350200000000, 0.0000361600000000 ] - [ -0.0001683200000000, -0.0002379100000000, -0.0000712000000000 ] - [ 0.0005559500000000, -0.0001593200000000, 0.0000010700000000 ] - [ 0.0003027300000000, 0.0002293300000000, 0.0002630900000000 ] - [ -0.0003526100000000, 0.0000530200000000, 0.0001724300000000 ] - [ 0.0001189700000000, 0.0004905700000000, 0.0024776800000000 ] - [ 0.0003806600000000, 0.0001147500000000, 0.0003554700000000 ] - [ -0.0003502200000000, 0.0001579100000000, 0.0001314300000000 ] - [ 0.0000322600000000, 0.0002495700000000, -0.0003247800000000 ] - [ 0.0000034900000000, 0.0001806800000000, -0.0005826400000000 ] - [ -0.0002041100000000, 0.0001766300000000, -0.0005324200000000 ] - [ 0.0001556400000000, -0.0003566000000000, -0.0007007100000000 ] - [ -0.0001479300000000, 0.0000323900000000, -0.0002882200000000 ] - [ -0.0002649200000000, 0.0008683500000000, 0.0008182400000000 ] - [ -0.0001283800000000, 0.0000345600000000, -0.0001328100000000 ] - [ 0.0002494500000000, 0.0000466400000000, 0.0004323000000000 ] - [ 0.0000764700000000, -0.0001633400000000, 0.0006883000000000 ] - [ 0.0000871400000000, 0.0000052000000000, 0.0001444700000000 ] - [ 0.0001660100000000, 0.0001328900000000, 0.0000967000000000 ]- atom: 81 displacement: [ 0.0045549923526468, 0.0000000000000000, -0.0089023617466001 ] forces: - [ 0.0094167100000000, 0.0209005000000000, -0.0198689300000000 ] - [ -0.0005299200000000, -0.0000879700000000, -0.0002075600000000 ] - [ -0.0005977100000000, 0.0001241900000000, 0.0003919600000000 ] - [ -0.0001660700000000, 0.0000925300000000, 0.0000786300000000 ] - [ 0.0001958200000000, -0.0001666400000000, -0.0002911200000000 ] - [ 0.0001897200000000, 0.0000031900000000, -0.0001719300000000 ] - [ 0.0000854100000000, 0.0021784500000000, 0.0000058700000000 ] - [ -0.0001900400000000, 0.0000481500000000, -0.0001427400000000 ] - [ -0.0000488000000000, 0.0001409700000000, -0.0001601000000000 ] - [ -0.0003741100000000, -0.0001794100000000, 0.0002036000000000 ] - [ -0.0000470800000000, 0.0000248000000000, 0.0002202900000000 ] - [ -0.0000885700000000, 0.0000547300000000, 0.0002426200000000 ] - [ 0.0001810800000000, -0.0000769800000000, 0.0001752700000000 ] - [ 0.0006811700000000, 0.0000063300000000, 0.0003051100000000 ] - [ 0.0012100400000000, -0.0001743200000000, 0.0005272700000000 ] - [ 0.0002597400000000, -0.0001658300000000, 0.0003513500000000 ] - [ 0.0001598700000000, 0.0002147000000000, 0.0003243000000000 ] - [ 0.0005279800000000, -0.0002679300000000, -0.0000003300000000 ] - [ 0.0004092000000000, -0.0009144700000000, 0.0000551400000000 ] - [ 0.0001357500000000, -0.0001813900000000, -0.0000255900000000 ] - [ -0.0016340300000000, -0.0007174300000000, -0.0014551800000000 ] - [ -0.0006798000000000, -0.0003827800000000, -0.0007469000000000 ] - [ -0.0003734600000000, -0.0002972600000000, 0.0001836500000000 ] - [ -0.0002463400000000, -0.0001019000000000, 0.0001801500000000 ] - [ 0.0000341200000000, -0.0001097700000000, 0.0003914300000000 ] - [ 0.0016386200000000, 0.0018885300000000, -0.0013013800000000 ] - [ 0.0004375000000000, -0.0001071900000000, 0.0004943200000000 ] - [ -0.0000222900000000, -0.0000297600000000, 0.0007480100000000 ] - [ -0.0003658000000000, -0.0006673200000000, -0.0006863400000000 ] - [ -0.0001995700000000, -0.0002004300000000, -0.0002747900000000 ] - [ -0.0003936100000000, -0.0001446100000000, -0.0003015300000000 ] - [ -0.0001417900000000, -0.0000451300000000, -0.0003826900000000 ] - [ 0.0000066300000000, 0.0001859200000000, -0.0001475400000000 ] - [ -0.0001775300000000, 0.0003419100000000, -0.0000468500000000 ] - [ -0.0004537400000000, 0.0002645100000000, -0.0001744200000000 ] - [ 0.0001096300000000, 0.0001923100000000, -0.0001063600000000 ] - [ 0.0031653900000000, 0.0028181000000000, -0.0023696100000000 ] - [ 0.0003860700000000, 0.0002666800000000, 0.0002942400000000 ] - [ 0.0002733500000000, 0.0000304800000000, -0.0002082200000000 ] - [ -0.0000276200000000, 0.0001131100000000, -0.0000494900000000 ] - [ 0.0005503100000000, -0.0000480400000000, 0.0021700600000000 ] - [ 0.0000766500000000, 0.0002799000000000, 0.0001300600000000 ] - [ 0.0001970200000000, 0.0001878500000000, -0.0003107500000000 ] - [ -0.0001352300000000, 0.0000562300000000, -0.0002441600000000 ] - [ 0.0001442500000000, 0.0001565400000000, -0.0001636900000000 ] - [ -0.0003679000000000, 0.0002642000000000, -0.0001143000000000 ] - [ -0.0007399200000000, 0.0005409300000000, -0.0003190900000000 ] - [ -0.0000342700000000, 0.0002670900000000, -0.0000633400000000 ] - [ 0.0000931400000000, 0.0019606700000000, -0.0004436200000000 ] - [ 0.0001511300000000, 0.0001744400000000, 0.0000062500000000 ] - [ 0.0002196200000000, 0.0001683000000000, -0.0001976900000000 ] - [ -0.0000300600000000, 0.0001966500000000, -0.0001716500000000 ] - [ 0.0003630800000000, -0.0003803300000000, 0.0005961800000000 ] - [ 0.0007632400000000, 0.0001970500000000, 0.0001901900000000 ] - [ 0.0001364900000000, -0.0001779600000000, -0.0002141100000000 ] - [ 0.0001121900000000, -0.0002915600000000, -0.0002317000000000 ] - [ -0.0000161700000000, 0.0001794600000000, 0.0000482100000000 ] - [ -0.0004936900000000, 0.0002036800000000, -0.0002419500000000 ] - [ -0.0005958900000000, 0.0002966200000000, -0.0004932100000000 ] - [ 0.0005366500000000, 0.0003038300000000, -0.0006199000000000 ] - [ -0.0000157900000000, -0.0001766800000000, -0.0000706400000000 ] - [ -0.0002015400000000, -0.0002022700000000, 0.0000084700000000 ] - [ -0.0002385000000000, -0.0004013400000000, 0.0001677300000000 ] - [ -0.0000092900000000, -0.0001463000000000, 0.0001697800000000 ] - [ 0.0003078300000000, -0.0004534600000000, 0.0003495600000000 ] - [ 0.0000228100000000, -0.0000420100000000, -0.0000830500000000 ] - [ 0.0000434400000000, -0.0000967100000000, -0.0003004100000000 ] - [ -0.0000129400000000, -0.0001413200000000, -0.0002806600000000 ] - [ 0.0000793500000000, 0.0001399800000000, -0.0004898300000000 ] - [ -0.0000881700000000, -0.0001031800000000, 0.0001661500000000 ] - [ -0.0003418600000000, -0.0027459800000000, -0.0013458000000000 ] - [ 0.0000757400000000, -0.0001385400000000, 0.0001726100000000 ] - [ 0.0000324000000000, -0.0000450400000000, 0.0000064800000000 ] - [ -0.0009050000000000, 0.0003127600000000, -0.0015678600000000 ] - [ -0.0004618400000000, -0.0002680700000000, -0.0002296300000000 ] - [ 0.0003782800000000, -0.0004153700000000, -0.0002713900000000 ] - [ -0.0005468200000000, 0.0000990600000000, 0.0009520100000000 ] - [ 0.0000983200000000, -0.0000057900000000, 0.0000214500000000 ] - [ 0.0000852000000000, 0.0000230900000000, -0.0000697000000000 ] - [ -0.0000672300000000, -0.0000509100000000, -0.0001437700000000 ] - [ -0.0193642100000000, -0.0200875800000000, 0.0393600300000000 ] - [ 0.0005589000000000, -0.0000928600000000, -0.0000232200000000 ] - [ 0.0005676200000000, -0.0000401600000000, -0.0003120700000000 ] - [ 0.0004257300000000, -0.0000401700000000, -0.0001795300000000 ] - [ -0.0004113800000000, -0.0000893600000000, 0.0000192200000000 ] - [ -0.0005688700000000, -0.0000262700000000, 0.0000352900000000 ] - [ -0.0007275900000000, 0.0000457400000000, 0.0001833900000000 ] - [ -0.0003987000000000, -0.0001242500000000, 0.0000464000000000 ] - [ 0.0000315700000000, 0.0004483600000000, 0.0004541800000000 ] - [ -0.0002479500000000, 0.0000371800000000, 0.0003523100000000 ] - [ -0.0002365700000000, 0.0000866700000000, -0.0001196700000000 ] - [ -0.0002203400000000, 0.0000917200000000, 0.0000477300000000 ] - [ 0.0006523100000000, -0.0000952400000000, -0.0007133800000000 ] - [ 0.0002212500000000, 0.0000521800000000, -0.0000389400000000 ] - [ 0.0001545200000000, 0.0006682300000000, -0.0006813300000000 ] - [ 0.0002611000000000, 0.0000828800000000, -0.0001420400000000 ] - [ -0.0002559200000000, -0.0007585800000000, 0.0001328500000000 ] - [ -0.0002049900000000, -0.0001768400000000, 0.0001797500000000 ] - [ -0.0000935400000000, -0.0002111600000000, -0.0000034400000000 ] - [ -0.0003752000000000, -0.0001997600000000, 0.0001183800000000 ] - [ 0.0004671900000000, -0.0001692700000000, -0.0002076800000000 ] - [ -0.0006103600000000, -0.0004433300000000, 0.0002211000000000 ] - [ 0.0002010300000000, -0.0003656900000000, -0.0003601100000000 ] - [ 0.0005304900000000, -0.0002375300000000, -0.0002095000000000 ] - [ 0.0007817100000000, 0.0002192500000000, 0.0004620000000000 ] - [ 0.0008645500000000, -0.0006441000000000, 0.0002581900000000 ] - [ 0.0002435300000000, 0.0001412100000000, 0.0002584800000000 ] - [ 0.0008755700000000, 0.0002445400000000, 0.0002306800000000 ] - [ -0.0004059400000000, 0.0001132500000000, -0.0003954400000000 ] - [ -0.0004332400000000, 0.0001939600000000, -0.0003496100000000 ] - [ -0.0002362400000000, 0.0007244900000000, -0.0005243200000000 ] - [ -0.0002297500000000, 0.0001230100000000, -0.0001667500000000 ] - [ -0.0002164900000000, 0.0001100400000000, -0.0000507500000000 ] - [ -0.0005696100000000, -0.0005905300000000, -0.0022578300000000 ] - [ 0.0001388300000000, 0.0000838500000000, 0.0003314700000000 ] - [ -0.0001372700000000, 0.0000679600000000, 0.0002390700000000 ] - [ 0.0000198900000000, -0.0005525400000000, 0.0002069200000000 ] - [ -0.0000329600000000, 0.0001424000000000, -0.0000347400000000 ] - [ -0.0004002500000000, 0.0003454300000000, 0.0002832400000000 ] - [ 0.0001103100000000, 0.0000782200000000, -0.0000606900000000 ] - [ 0.0065148400000000, -0.0039500700000000, -0.0063920600000000 ] - [ -0.0005428300000000, -0.0001576600000000, -0.0001945200000000 ] - [ -0.0004734400000000, -0.0001287200000000, 0.0003204300000000 ] - [ -0.0002401600000000, -0.0000947900000000, 0.0001384300000000 ] - [ 0.0001196200000000, -0.0001463300000000, 0.0000725600000000 ] - [ 0.0008831700000000, -0.0003581600000000, -0.0000002100000000 ] - [ 0.0009298100000000, 0.0000123900000000, 0.0001020400000000 ] - [ 0.0002001100000000, -0.0000671800000000, 0.0000312500000000 ] - [ -0.0001177900000000, 0.0001635300000000, 0.0004983000000000 ] - [ 0.0005359800000000, 0.0003369100000000, 0.0005893600000000 ] - [ 0.0000329400000000, -0.0000973600000000, -0.0017535900000000 ] - [ -0.0001979400000000, 0.0002800700000000, 0.0004040000000000 ] - [ 0.0001631600000000, 0.0002324100000000, -0.0008940400000000 ] - [ -0.0002175700000000, 0.0001442700000000, -0.0004360300000000 ] - [ -0.0001881200000000, 0.0002146000000000, -0.0001767400000000 ] - [ 0.0000196300000000, 0.0002187600000000, -0.0002261800000000 ] - [ -0.0003959100000000, 0.0003910000000000, 0.0001493100000000 ] - [ -0.0000927900000000, 0.0000059100000000, -0.0002639500000000 ] - [ 0.0001527600000000, -0.0008450100000000, -0.0015084100000000 ] - [ -0.0001146700000000, 0.0000040100000000, -0.0004214700000000 ] - [ -0.0000090400000000, -0.0000086200000000, 0.0001196100000000 ] - [ 0.0001699900000000, 0.0002049300000000, -0.0001397100000000 ] - [ 0.0001546200000000, 0.0000341400000000, 0.0004084900000000 ] - [ 0.0000738700000000, -0.0000933200000000, 0.0004565900000000 ]- atom: 89 displacement: [ 0.0099999730884809, 0.0000000000000000, -0.0000231997770880 ] forces: - [ -0.0016614900000000, -0.0005543600000000, -0.0000075400000000 ] - [ -0.0006636900000000, 0.0000534800000000, -0.0002238700000000 ] - [ -0.0003848400000000, -0.0001363500000000, -0.0002382500000000 ] - [ -0.0003906800000000, -0.0001515500000000, -0.0001491000000000 ] - [ 0.0002492800000000, 0.0001013900000000, -0.0000685800000000 ] - [ 0.0000081700000000, 0.0000100900000000, -0.0001872900000000 ] - [ -0.0002330100000000, -0.0002021100000000, -0.0003849100000000 ] - [ -0.0005146700000000, -0.0000368600000000, -0.0002298800000000 ] - [ 0.0001621100000000, -0.0000986400000000, 0.0003219800000000 ] - [ -0.0002350000000000, 0.0000296600000000, 0.0001274400000000 ] - [ -0.0000430600000000, -0.0000344100000000, 0.0002803100000000 ] - [ 0.0000216300000000, 0.0000121400000000, 0.0001119300000000 ] - [ 0.0007500400000000, -0.0004963500000000, -0.0000306200000000 ] - [ 0.0001698700000000, -0.0000143500000000, 0.0002431800000000 ] - [ 0.0005576100000000, -0.0002064700000000, 0.0003104700000000 ] - [ 0.0003288200000000, -0.0000705500000000, 0.0001455600000000 ] - [ 0.0005710300000000, -0.0003268200000000, 0.0000068500000000 ] - [ -0.0000896200000000, -0.0002701100000000, 0.0001853400000000 ] - [ 0.0001548800000000, -0.0003291100000000, 0.0001966800000000 ] - [ 0.0002945700000000, -0.0002050100000000, 0.0000164400000000 ] - [ 0.0090621600000000, -0.0018274700000000, 0.0006773000000000 ] - [ -0.0007270600000000, -0.0002618400000000, -0.0000217400000000 ] - [ -0.0003868200000000, -0.0001940700000000, 0.0000350800000000 ] - [ -0.0005013300000000, -0.0002226000000000, -0.0002320200000000 ] - [ -0.0004147700000000, -0.0001070300000000, 0.0004019700000000 ] - [ -0.0000458200000000, -0.0001407800000000, 0.0003749600000000 ] - [ 0.0000640500000000, -0.0001393700000000, 0.0003208300000000 ] - [ 0.0001958200000000, -0.0001350300000000, 0.0004171600000000 ] - [ -0.0000448400000000, 0.0008621600000000, -0.0011805600000000 ] - [ -0.0003566400000000, -0.0009032300000000, 0.0001140800000000 ] - [ -0.0003128400000000, -0.0001492800000000, -0.0003412000000000 ] - [ -0.0001204300000000, -0.0001422900000000, -0.0002979600000000 ] - [ -0.0008499700000000, 0.0003822400000000, 0.0002131600000000 ] - [ -0.0000092100000000, 0.0001935600000000, -0.0000892200000000 ] - [ -0.0001694000000000, 0.0002266900000000, -0.0001180700000000 ] - [ -0.0000601300000000, 0.0001784100000000, -0.0000468700000000 ] - [ 0.0009014100000000, 0.0047198300000000, -0.0011065000000000 ] - [ 0.0003475600000000, 0.0002050300000000, 0.0001330600000000 ] - [ 0.0000624600000000, 0.0002145900000000, 0.0000431500000000 ] - [ 0.0001407300000000, 0.0002144300000000, 0.0001152900000000 ] - [ 0.0006492300000000, 0.0047532100000000, -0.0024716000000000 ] - [ 0.0003450900000000, 0.0001964800000000, -0.0000301900000000 ] - [ 0.0001351900000000, 0.0001910700000000, -0.0000798200000000 ] - [ 0.0001334100000000, 0.0002677400000000, 0.0000468100000000 ] - [ -0.0003594300000000, 0.0002702400000000, -0.0000537500000000 ] - [ 0.0001777500000000, 0.0001791700000000, 0.0000481200000000 ] - [ -0.0001463300000000, -0.0000390500000000, -0.0004048700000000 ] - [ -0.0000474700000000, 0.0002090300000000, 0.0000119700000000 ] - [ 0.0013773900000000, -0.0004008400000000, 0.0002744100000000 ] - [ 0.0013176200000000, 0.0008492800000000, -0.0003269800000000 ] - [ 0.0001380800000000, 0.0001552900000000, 0.0000026600000000 ] - [ 0.0000560600000000, 0.0002024400000000, -0.0000468300000000 ] - [ 0.0001310900000000, -0.0002153200000000, -0.0001105300000000 ] - [ 0.0002401400000000, -0.0002152300000000, -0.0000652400000000 ] - [ 0.0001151300000000, -0.0002522300000000, -0.0001239800000000 ] - [ 0.0001017800000000, -0.0001603300000000, -0.0000358900000000 ] - [ 0.0001700600000000, -0.0000085400000000, -0.0000783400000000 ] - [ 0.0000516500000000, 0.0002960100000000, 0.0001600700000000 ] - [ -0.0001759800000000, 0.0001586700000000, -0.0000214900000000 ] - [ -0.0000390100000000, 0.0001624900000000, 0.0000016300000000 ] - [ -0.0005271000000000, -0.0002578300000000, 0.0000272200000000 ] - [ -0.0000246200000000, -0.0001886600000000, 0.0000612900000000 ] - [ 0.0003961500000000, 0.0000947800000000, -0.0003179600000000 ] - [ 0.0002093500000000, -0.0005693300000000, 0.0004038400000000 ] - [ -0.0005051700000000, -0.0000663800000000, -0.0002532700000000 ] - [ 0.0001161100000000, -0.0000994900000000, -0.0001675400000000 ] - [ -0.0000246300000000, -0.0000773900000000, -0.0001546900000000 ] - [ -0.0000187900000000, -0.0001267200000000, -0.0001128000000000 ] - [ -0.0003966800000000, -0.0001656700000000, 0.0003038200000000 ] - [ 0.0000826100000000, -0.0001110200000000, 0.0001463800000000 ] - [ 0.0002806700000000, -0.0001295200000000, 0.0000518700000000 ] - [ 0.0002251000000000, -0.0002346200000000, 0.0003083900000000 ] - [ 0.0002256700000000, -0.0005025200000000, 0.0000143100000000 ] - [ 0.0001905100000000, 0.0002958500000000, 0.0001404800000000 ] - [ -0.0000877400000000, -0.0000308600000000, -0.0001220800000000 ] - [ 0.0000249900000000, -0.0000521400000000, 0.0000009300000000 ] - [ 0.0003436700000000, -0.0002526800000000, 0.0002578700000000 ] - [ 0.0003260900000000, 0.0003162000000000, -0.0001756800000000 ] - [ 0.0000649900000000, -0.0000436600000000, 0.0000056300000000 ] - [ 0.0000002900000000, -0.0000228500000000, -0.0000169200000000 ] - [ 0.0008073500000000, 0.0002224800000000, -0.0001801500000000 ] - [ 0.0005294200000000, -0.0000998600000000, -0.0000131200000000 ] - [ 0.0004669900000000, -0.0000475400000000, -0.0000590100000000 ] - [ 0.0004906300000000, -0.0000683000000000, -0.0000639600000000 ] - [ -0.0001301200000000, 0.0006230500000000, -0.0002379500000000 ] - [ -0.0002590200000000, -0.0002986900000000, 0.0001801500000000 ] - [ -0.0008363200000000, -0.0000907500000000, -0.0000413900000000 ] - [ -0.0003615200000000, -0.0000539300000000, 0.0000842300000000 ] - [ -0.0288973000000000, -0.0021208800000000, 0.0028518200000000 ] - [ -0.0000341600000000, 0.0001144600000000, 0.0001334200000000 ] - [ -0.0002257800000000, 0.0000685700000000, 0.0000866600000000 ] - [ -0.0001994700000000, 0.0000633600000000, 0.0002182700000000 ] - [ 0.0001554800000000, 0.0001793000000000, -0.0000760300000000 ] - [ 0.0003428100000000, 0.0000891100000000, -0.0001506600000000 ] - [ 0.0003723100000000, 0.0000682900000000, -0.0002845000000000 ] - [ 0.0002215200000000, 0.0000584200000000, -0.0000938400000000 ] - [ -0.0015313600000000, -0.0015255800000000, 0.0009608700000000 ] - [ 0.0002108600000000, 0.0000125100000000, 0.0000117800000000 ] - [ -0.0001576700000000, -0.0001960500000000, 0.0000919200000000 ] - [ -0.0003308000000000, -0.0001876500000000, 0.0001457000000000 ] - [ 0.0008229600000000, -0.0014504200000000, -0.0004104100000000 ] - [ 0.0006256800000000, -0.0002468200000000, -0.0001657300000000 ] - [ 0.0002595000000000, -0.0002664100000000, -0.0001015600000000 ] - [ 0.0003611500000000, -0.0002213300000000, -0.0001002100000000 ] - [ 0.0009363200000000, -0.0007227400000000, 0.0019048900000000 ] - [ 0.0004813900000000, 0.0002163800000000, 0.0003171700000000 ] - [ 0.0004713500000000, 0.0001718500000000, 0.0002659200000000 ] - [ 0.0003283700000000, 0.0004384500000000, 0.0007528200000000 ] - [ -0.0005105700000000, 0.0001988900000000, -0.0003043900000000 ] - [ -0.0003877000000000, 0.0001456700000000, -0.0003071300000000 ] - [ -0.0002121600000000, 0.0001993100000000, -0.0002738000000000 ] - [ -0.0007249300000000, 0.0007336500000000, -0.0001810700000000 ] - [ 0.0002490800000000, 0.0002332500000000, -0.0001052500000000 ] - [ -0.0002626100000000, 0.0000743200000000, -0.0000080700000000 ] - [ 0.0000218300000000, 0.0001204900000000, 0.0000966900000000 ] - [ 0.0000304400000000, 0.0001256200000000, -0.0000229100000000 ] - [ 0.0037033700000000, 0.0006681700000000, 0.0021549600000000 ] - [ -0.0003462300000000, 0.0002107100000000, 0.0002382100000000 ] - [ -0.0001889200000000, 0.0001108600000000, 0.0000924500000000 ] - [ 0.0001268600000000, -0.0000083700000000, -0.0002949900000000 ] - [ -0.0001690300000000, -0.0005871700000000, 0.0000737300000000 ] - [ -0.0006044900000000, -0.0001822000000000, -0.0000825700000000 ] - [ -0.0004195200000000, -0.0001162700000000, 0.0000596400000000 ] - [ -0.0003487400000000, -0.0001159000000000, -0.0000369300000000 ] - [ 0.0048935900000000, -0.0014323500000000, -0.0036161600000000 ] - [ 0.0000228800000000, -0.0001516400000000, -0.0001418400000000 ] - [ 0.0004688200000000, -0.0000511600000000, 0.0001960100000000 ] - [ 0.0002413300000000, -0.0001184700000000, -0.0001120500000000 ] - [ 0.0002330400000000, 0.0002523300000000, 0.0006015300000000 ] - [ -0.0000746900000000, 0.0001742700000000, 0.0002840000000000 ] - [ 0.0002167000000000, -0.0002266100000000, 0.0007783700000000 ] - [ -0.0000383800000000, 0.0002669000000000, 0.0003554800000000 ] - [ 0.0050703000000000, -0.0015673200000000, -0.0038679000000000 ] - [ -0.0004623700000000, 0.0000790900000000, -0.0005564200000000 ] - [ -0.0000224500000000, 0.0002074200000000, -0.0002822100000000 ] - [ -0.0001349300000000, 0.0001882600000000, -0.0004341800000000 ] - [ -0.0000031500000000, -0.0001165500000000, -0.0004780600000000 ] - [ -0.0002665600000000, 0.0000635600000000, -0.0001739800000000 ] - [ -0.0003545000000000, 0.0000051600000000, -0.0001917200000000 ] - [ 0.0000296200000000, 0.0002546000000000, -0.0004001000000000 ] - [ 0.0042576700000000, 0.0010341600000000, 0.0030144800000000 ] - [ -0.0002702600000000, 0.0000608000000000, 0.0003823300000000 ] - [ 0.0000456100000000, 0.0000200000000000, 0.0003920500000000 ] - [ 0.0001707800000000, 0.0000945300000000, 0.0001893900000000 ]- atom: 89 displacement: [ -0.0099999730884809, 0.0000000000000000, 0.0000231997770880 ] forces: - [ 0.0008819100000000, 0.0003558500000000, -0.0002852300000000 ] - [ -0.0001256100000000, -0.0002443000000000, -0.0000733400000000 ] - [ -0.0004042800000000, -0.0000563600000000, -0.0000611800000000 ] - [ -0.0003992900000000, -0.0000373800000000, -0.0001494000000000 ] - [ -0.0000871200000000, -0.0000928600000000, -0.0003043900000000 ] - [ 0.0001528100000000, 0.0000029100000000, -0.0001835900000000 ] - [ 0.0003975100000000, 0.0002135500000000, 0.0000123000000000 ] - [ 0.0006693900000000, 0.0000485400000000, -0.0001363800000000 ] - [ -0.0003209700000000, 0.0001189200000000, 0.0000555700000000 ] - [ 0.0000741200000000, -0.0000189900000000, 0.0002462700000000 ] - [ -0.0001190000000000, 0.0000446300000000, 0.0000922100000000 ] - [ -0.0001779400000000, 0.0000009300000000, 0.0002535700000000 ] - [ 0.0000313100000000, 0.0003082900000000, 0.0003247400000000 ] - [ 0.0006195800000000, -0.0001768600000000, 0.0000583700000000 ] - [ 0.0002325300000000, 0.0000146900000000, -0.0000107900000000 ] - [ 0.0004614200000000, -0.0001162800000000, 0.0001538600000000 ] - [ 0.0000796800000000, -0.0001039700000000, 0.0001424500000000 ] - [ 0.0007403900000000, -0.0001581800000000, -0.0000450600000000 ] - [ 0.0004928400000000, -0.0001055200000000, -0.0000542200000000 ] - [ 0.0003654900000000, -0.0002228200000000, 0.0001274600000000 ] - [ -0.0096982400000000, 0.0011888200000000, -0.0007390200000000 ] - [ 0.0000755100000000, -0.0001748600000000, -0.0001190600000000 ] - [ -0.0002638600000000, -0.0002442200000000, -0.0001766300000000 ] - [ -0.0001549300000000, -0.0002129500000000, 0.0000879400000000 ] - [ 0.0008212900000000, -0.0001950600000000, 0.0002559200000000 ] - [ 0.0004566600000000, -0.0001605400000000, 0.0002864900000000 ] - [ 0.0003450000000000, -0.0001630000000000, 0.0003357600000000 ] - [ 0.0002143200000000, -0.0001659100000000, 0.0002419700000000 ] - [ -0.0003476300000000, -0.0011466700000000, 0.0005111600000000 ] - [ -0.0000539100000000, 0.0006046700000000, -0.0007754200000000 ] - [ -0.0000978500000000, -0.0001538200000000, -0.0003180800000000 ] - [ -0.0002903000000000, -0.0001605200000000, -0.0003621600000000 ] - [ 0.0006119600000000, 0.0000024300000000, -0.0003775100000000 ] - [ -0.0002190300000000, 0.0001843400000000, -0.0000702300000000 ] - [ -0.0000610400000000, 0.0001509200000000, -0.0000421000000000 ] - [ -0.0001707500000000, 0.0001995300000000, -0.0001126400000000 ] - [ -0.0006884600000000, -0.0043167800000000, 0.0012719600000000 ] - [ -0.0001175200000000, 0.0001727700000000, 0.0000258500000000 ] - [ 0.0001683400000000, 0.0001634700000000, 0.0001166500000000 ] - [ 0.0000917300000000, 0.0001638100000000, 0.0000447100000000 ] - [ -0.0004793000000000, -0.0042902000000000, 0.0024675900000000 ] - [ -0.0001549500000000, 0.0002515800000000, 0.0000525800000000 ] - [ 0.0000552100000000, 0.0002570300000000, 0.0001037000000000 ] - [ 0.0000568000000000, 0.0001798300000000, -0.0000240800000000 ] - [ 0.0001763300000000, 0.0001787600000000, 0.0000259500000000 ] - [ -0.0003702800000000, 0.0002687300000000, -0.0000711900000000 ] - [ -0.0000440400000000, 0.0004823200000000, 0.0003776300000000 ] - [ -0.0001430800000000, 0.0002385900000000, -0.0000345600000000 ] - [ -0.0011956800000000, 0.0007254500000000, -0.0002957700000000 ] - [ -0.0011570500000000, -0.0005167500000000, 0.0003015700000000 ] - [ 0.0000328200000000, 0.0001830700000000, -0.0000293200000000 ] - [ 0.0001148500000000, 0.0001363600000000, 0.0000196000000000 ] - [ 0.0001198300000000, -0.0002043900000000, -0.0000553900000000 ] - [ 0.0000043000000000, -0.0001795000000000, -0.0001059400000000 ] - [ 0.0001303200000000, -0.0001434200000000, -0.0000463600000000 ] - [ 0.0001431900000000, -0.0002351800000000, -0.0001351500000000 ] - [ -0.0003426400000000, 0.0003481600000000, 0.0001065100000000 ] - [ -0.0002241800000000, 0.0000424500000000, -0.0001339200000000 ] - [ 0.0000043000000000, 0.0001789300000000, 0.0000488100000000 ] - [ -0.0001326600000000, 0.0001759000000000, 0.0000260700000000 ] - [ 0.0002831300000000, -0.0001354600000000, 0.0001489500000000 ] - [ -0.0002204400000000, -0.0002063000000000, 0.0001095900000000 ] - [ -0.0006410700000000, -0.0004867400000000, 0.0004898300000000 ] - [ -0.0004525700000000, 0.0001766300000000, -0.0002333300000000 ] - [ 0.0005067100000000, -0.0001599300000000, -0.0000582600000000 ] - [ -0.0001070900000000, -0.0001197300000000, -0.0001262700000000 ] - [ 0.0000342600000000, -0.0001410800000000, -0.0001385800000000 ] - [ 0.0000280200000000, -0.0000919000000000, -0.0001805500000000 ] - [ 0.0003864200000000, -0.0000488000000000, -0.0000117300000000 ] - [ -0.0000921600000000, -0.0001072700000000, 0.0001469000000000 ] - [ -0.0002921900000000, -0.0000884100000000, 0.0002429100000000 ] - [ -0.0002339700000000, 0.0000165600000000, -0.0000153600000000 ] - [ -0.0002900300000000, 0.0004575700000000, -0.0000404500000000 ] - [ -0.0002580700000000, -0.0003408700000000, -0.0001682400000000 ] - [ 0.0000218100000000, -0.0000164100000000, 0.0000997300000000 ] - [ -0.0000906400000000, 0.0000058300000000, -0.0000255800000000 ] - [ -0.0002758700000000, 0.0002037800000000, -0.0002326400000000 ] - [ -0.0002587100000000, -0.0003632900000000, 0.0002016400000000 ] - [ 0.0000022700000000, -0.0000030300000000, 0.0000204100000000 ] - [ 0.0000670800000000, -0.0000229700000000, 0.0000425000000000 ] - [ 0.0001375200000000, -0.0003519100000000, 0.0000439100000000 ] - [ 0.0004218100000000, -0.0000244900000000, -0.0001248300000000 ] - [ 0.0004838200000000, -0.0000768100000000, -0.0000786500000000 ] - [ 0.0004597300000000, -0.0000568400000000, -0.0000732900000000 ] - [ -0.0008194700000000, -0.0007497000000000, 0.0003748700000000 ] - [ -0.0006905500000000, 0.0001721200000000, -0.0000436500000000 ] - [ -0.0001145600000000, -0.0000319700000000, 0.0001788500000000 ] - [ -0.0005887600000000, -0.0000709100000000, 0.0000527900000000 ] - [ 0.0284510200000000, 0.0025673700000000, -0.0026317200000000 ] - [ -0.0004126600000000, 0.0000451900000000, 0.0001522500000000 ] - [ -0.0002207100000000, 0.0000906100000000, 0.0001995300000000 ] - [ -0.0002466900000000, 0.0000951500000000, 0.0000681100000000 ] - [ 0.0002907000000000, -0.0000187400000000, -0.0002089100000000 ] - [ 0.0001036400000000, 0.0000698500000000, -0.0001335100000000 ] - [ 0.0000749500000000, 0.0000905300000000, 0.0000002100000000 ] - [ 0.0002247900000000, 0.0001004900000000, -0.0001908300000000 ] - [ 0.0009733200000000, 0.0011684000000000, -0.0007062700000000 ] - [ -0.0007422500000000, -0.0004087900000000, 0.0002564800000000 ] - [ -0.0003680800000000, -0.0001982300000000, 0.0001746900000000 ] - [ -0.0001964100000000, -0.0002066500000000, 0.0001213700000000 ] - [ -0.0002927300000000, 0.0010637800000000, 0.0001463900000000 ] - [ -0.0001025500000000, -0.0001478200000000, -0.0001026500000000 ] - [ 0.0002674200000000, -0.0001285600000000, -0.0001649100000000 ] - [ 0.0001661100000000, -0.0001731600000000, -0.0001660000000000 ] - [ -0.0001151800000000, 0.0010597700000000, -0.0013409100000000 ] - [ 0.0003264400000000, 0.0001161500000000, 0.0002622700000000 ] - [ 0.0003404000000000, 0.0001599500000000, 0.0003116200000000 ] - [ 0.0004851200000000, -0.0001042800000000, -0.0001697400000000 ] - [ -0.0003028700000000, 0.0001325700000000, -0.0002740500000000 ] - [ -0.0004241800000000, 0.0001858700000000, -0.0002719600000000 ] - [ -0.0006006100000000, 0.0001310300000000, -0.0003038500000000 ] - [ -0.0000858600000000, -0.0004050000000000, -0.0003982100000000 ] - [ -0.0002050700000000, 0.0000010600000000, 0.0001263300000000 ] - [ 0.0003083400000000, 0.0001594500000000, 0.0000309100000000 ] - [ 0.0000223300000000, 0.0001113500000000, -0.0000743400000000 ] - [ 0.0000139300000000, 0.0001064500000000, 0.0000458000000000 ] - [ -0.0036659000000000, -0.0004224700000000, -0.0020533500000000 ] - [ 0.0003026400000000, 0.0000197400000000, -0.0002625000000000 ] - [ 0.0001447700000000, 0.0001203700000000, -0.0001158200000000 ] - [ -0.0001710600000000, 0.0002396800000000, 0.0002714000000000 ] - [ -0.0005904300000000, 0.0003621300000000, -0.0001109800000000 ] - [ -0.0001521100000000, -0.0000434700000000, 0.0000511500000000 ] - [ -0.0003379300000000, -0.0001107100000000, -0.0000907100000000 ] - [ -0.0004083300000000, -0.0001108200000000, 0.0000054200000000 ] - [ -0.0042249400000000, 0.0012241200000000, 0.0038022000000000 ] - [ 0.0007340600000000, -0.0000766600000000, 0.0001728200000000 ] - [ 0.0002879000000000, -0.0001767700000000, -0.0001655600000000 ] - [ 0.0005157100000000, -0.0001087900000000, 0.0001432700000000 ] - [ -0.0000485000000000, 0.0001405600000000, 0.0001587200000000 ] - [ 0.0002604800000000, 0.0002201300000000, 0.0004776200000000 ] - [ -0.0000324000000000, 0.0006242500000000, -0.0000208500000000 ] - [ 0.0002238500000000, 0.0001275700000000, 0.0004051000000000 ] - [ -0.0051309300000000, 0.0018584300000000, 0.0029705700000000 ] - [ 0.0002786600000000, 0.0003157400000000, -0.0002021000000000 ] - [ -0.0001625900000000, 0.0001879500000000, -0.0004790900000000 ] - [ -0.0000505300000000, 0.0002062000000000, -0.0003260800000000 ] - [ -0.0002393700000000, 0.0001548400000000, -0.0000715700000000 ] - [ 0.0000253700000000, -0.0000234600000000, -0.0003776500000000 ] - [ 0.0001138000000000, 0.0000344800000000, -0.0003612100000000 ] - [ -0.0002710000000000, -0.0002139700000000, -0.0001519600000000 ] - [ -0.0040990000000000, -0.0010821100000000, -0.0025670400000000 ] - [ 0.0005112100000000, -0.0000217300000000, 0.0001709400000000 ] - [ 0.0001966800000000, 0.0000190000000000, 0.0001586500000000 ] - [ 0.0000706100000000, -0.0000546100000000, 0.0003619100000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0023873000000000, 0.0000425800000000, 0.0000353500000000 ] - [ -0.0004104900000000, 0.0000687400000000, -0.0000919500000000 ] - [ -0.0004241900000000, -0.0000475500000000, -0.0000055500000000 ] - [ -0.0003917600000000, -0.0001064600000000, -0.0001331600000000 ] - [ 0.0000615800000000, 0.0004344000000000, -0.0000249000000000 ] - [ 0.0000956100000000, 0.0000425600000000, -0.0001574700000000 ] - [ -0.0005897900000000, 0.0004405400000000, 0.0001122600000000 ] - [ 0.0009923400000000, 0.0001410600000000, -0.0005992800000000 ] - [ 0.0006374100000000, -0.0009521900000000, -0.0010790600000000 ] - [ -0.0001090300000000, -0.0000033200000000, 0.0001850700000000 ] - [ -0.0002005400000000, -0.0000293500000000, 0.0001608300000000 ] - [ 0.0000608400000000, -0.0000292000000000, 0.0001298700000000 ] - [ -0.0002495200000000, 0.0004137900000000, 0.0008753500000000 ] - [ 0.0004506600000000, -0.0003476200000000, 0.0003497200000000 ] - [ 0.0003307400000000, -0.0006661500000000, 0.0001974300000000 ] - [ 0.0003564600000000, -0.0000978100000000, 0.0001781900000000 ] - [ 0.0006496900000000, -0.0006219500000000, 0.0005447100000000 ] - [ 0.0002109500000000, -0.0002891800000000, 0.0000777400000000 ] - [ 0.0004579700000000, -0.0001761000000000, -0.0000397400000000 ] - [ 0.0002346000000000, -0.0001520400000000, -0.0000267900000000 ] - [ -0.0022129800000000, 0.0634696700000000, -0.0238221300000000 ] - [ -0.0004891100000000, -0.0001941100000000, -0.0001202100000000 ] - [ -0.0003383200000000, -0.0002087900000000, -0.0000213700000000 ] - [ -0.0003092700000000, -0.0001783200000000, -0.0000208700000000 ] - [ 0.0017868600000000, 0.0001622500000000, 0.0003829900000000 ] - [ -0.0002723800000000, -0.0001668500000000, -0.0000959900000000 ] - [ 0.0002225000000000, -0.0002389800000000, 0.0004085600000000 ] - [ 0.0002270500000000, -0.0001829500000000, 0.0002967400000000 ] - [ 0.0005302300000000, 0.0008279500000000, -0.0007509400000000 ] - [ -0.0004684000000000, -0.0003895500000000, -0.0001470200000000 ] - [ -0.0001942900000000, -0.0001475100000000, -0.0003172100000000 ] - [ -0.0002230700000000, -0.0000804300000000, -0.0004030300000000 ] - [ 0.0006989800000000, 0.0009538900000000, -0.0015686800000000 ] - [ -0.0001360600000000, 0.0002331400000000, -0.0001475500000000 ] - [ -0.0000259100000000, 0.0002968700000000, -0.0000821400000000 ] - [ -0.0000980000000000, 0.0001886900000000, -0.0000716700000000 ] - [ 0.0051224300000000, 0.0052625300000000, 0.0017531600000000 ] - [ 0.0001678200000000, 0.0001655600000000, 0.0000651700000000 ] - [ 0.0001080100000000, 0.0001973100000000, 0.0000294200000000 ] - [ 0.0000094800000000, 0.0001480800000000, 0.0000336800000000 ] - [ 0.0052570900000000, -0.0006590700000000, -0.0037000200000000 ] - [ 0.0000808900000000, 0.0001893500000000, -0.0000025300000000 ] - [ 0.0001500500000000, 0.0001858100000000, -0.0000649600000000 ] - [ 0.0001560700000000, 0.0002540000000000, 0.0000207200000000 ] - [ 0.0000635700000000, 0.0003978500000000, -0.0003002600000000 ] - [ -0.0000839200000000, 0.0002470500000000, -0.0000322000000000 ] - [ -0.0002017500000000, 0.0005192600000000, 0.0001849400000000 ] - [ -0.0000608500000000, 0.0002113000000000, -0.0000028800000000 ] - [ -0.0004330000000000, -0.0002331900000000, 0.0000372200000000 ] - [ 0.0007553900000000, 0.0002376600000000, -0.0002090900000000 ] - [ 0.0000820400000000, 0.0001364200000000, -0.0000428400000000 ] - [ 0.0000912400000000, 0.0000962600000000, -0.0000291300000000 ] - [ -0.0007617200000000, 0.0031764800000000, -0.0007147900000000 ] - [ 0.0001563200000000, -0.0001577400000000, -0.0000641900000000 ] - [ 0.0001157500000000, -0.0000225100000000, -0.0001657200000000 ] - [ 0.0000891100000000, -0.0001266900000000, -0.0000764500000000 ] - [ -0.0005206700000000, 0.0005041300000000, 0.0000967600000000 ] - [ 0.0001097500000000, 0.0004634600000000, 0.0002610100000000 ] - [ -0.0001255200000000, 0.0003050000000000, -0.0000025500000000 ] - [ -0.0000676700000000, 0.0002104300000000, -0.0000125900000000 ] - [ -0.0002529900000000, -0.0004105800000000, -0.0004963800000000 ] - [ -0.0001147700000000, -0.0002433900000000, 0.0000608700000000 ] - [ -0.0004386900000000, -0.0008341500000000, 0.0003046700000000 ] - [ 0.0001488400000000, -0.0009261900000000, 0.0004758600000000 ] - [ 0.0003971100000000, 0.0016090200000000, 0.0014834900000000 ] - [ 0.0000289000000000, -0.0000781800000000, -0.0001640300000000 ] - [ 0.0000471000000000, -0.0001202400000000, -0.0003530200000000 ] - [ -0.0000398800000000, -0.0000953100000000, -0.0001664600000000 ] - [ -0.0000584900000000, -0.0003935200000000, 0.0003942900000000 ] - [ -0.0000234800000000, -0.0001496900000000, 0.0001093000000000 ] - [ 0.0004641600000000, -0.0002327000000000, -0.0000803900000000 ] - [ -0.0002272000000000, -0.0001006800000000, 0.0000275500000000 ] - [ 0.0000447300000000, -0.0003598800000000, 0.0000451400000000 ] - [ 0.0000459900000000, -0.0002162800000000, 0.0002729500000000 ] - [ -0.0002379000000000, 0.0000055700000000, -0.0001877800000000 ] - [ -0.0000505100000000, -0.0000270700000000, -0.0000461300000000 ] - [ -0.0001986300000000, 0.0002651400000000, -0.0001224700000000 ] - [ 0.0004103400000000, 0.0003246900000000, -0.0001903700000000 ] - [ 0.0000129800000000, -0.0000088600000000, -0.0000424600000000 ] - [ 0.0000372600000000, -0.0000043400000000, 0.0000684000000000 ] - [ 0.0007989700000000, 0.0003902700000000, -0.0003177100000000 ] - [ 0.0004258100000000, -0.0000945000000000, -0.0000462600000000 ] - [ 0.0004695400000000, -0.0000007000000000, -0.0000812600000000 ] - [ 0.0004637100000000, -0.0000577100000000, -0.0000885000000000 ] - [ -0.0003771000000000, -0.0002370300000000, -0.0000804600000000 ] - [ -0.0005049200000000, -0.0000333400000000, 0.0000223500000000 ] - [ -0.0006461200000000, 0.0002352400000000, 0.0006411700000000 ] - [ -0.0004550400000000, -0.0000600500000000, 0.0000826100000000 ] - [ -0.0026096200000000, -0.0817358600000000, 0.0210759200000000 ] - [ -0.0001877200000000, 0.0000376500000000, 0.0001724000000000 ] - [ -0.0002333700000000, 0.0000477800000000, 0.0001023100000000 ] - [ -0.0002384500000000, 0.0000630600000000, 0.0001294800000000 ] - [ 0.0001235000000000, 0.0006259100000000, -0.0000473000000000 ] - [ 0.0002130900000000, 0.0001531500000000, -0.0001031300000000 ] - [ 0.0002336800000000, 0.0001596200000000, -0.0001932100000000 ] - [ 0.0002438000000000, 0.0001074300000000, -0.0000995700000000 ] - [ -0.0022931400000000, 0.0020982000000000, -0.0009654000000000 ] - [ 0.0000298400000000, -0.0001287100000000, 0.0000965100000000 ] - [ -0.0002922800000000, -0.0002166500000000, 0.0000977500000000 ] - [ -0.0002491100000000, -0.0002260700000000, 0.0001303800000000 ] - [ -0.0021786400000000, 0.0008289000000000, 0.0008196100000000 ] - [ 0.0008111700000000, -0.0002115400000000, 0.0000548800000000 ] - [ 0.0002806500000000, -0.0001542300000000, -0.0002254800000000 ] - [ 0.0002354500000000, -0.0001667600000000, -0.0001650100000000 ] - [ -0.0014461400000000, -0.0006000000000000, -0.0003286500000000 ] - [ 0.0009942400000000, -0.0000076800000000, 0.0001664400000000 ] - [ 0.0004084200000000, 0.0001068000000000, 0.0003362900000000 ] - [ 0.0003580400000000, 0.0001410700000000, 0.0001383500000000 ] - [ -0.0005496100000000, 0.0002548400000000, -0.0003459500000000 ] - [ -0.0002567400000000, 0.0001890500000000, -0.0002852800000000 ] - [ -0.0003777000000000, 0.0002778000000000, -0.0002516400000000 ] - [ -0.0006567600000000, 0.0004949000000000, -0.0000831700000000 ] - [ -0.0000535900000000, -0.0005233700000000, 0.0001505300000000 ] - [ -0.0000888800000000, -0.0001395700000000, 0.0000089000000000 ] - [ -0.0000276900000000, 0.0000288300000000, 0.0001192100000000 ] - [ -0.0000026300000000, 0.0000434600000000, 0.0000734300000000 ] - [ 0.0019774900000000, 0.0017752600000000, 0.0020839500000000 ] - [ -0.0002003300000000, 0.0002840600000000, 0.0001338800000000 ] - [ -0.0000583200000000, 0.0002672000000000, 0.0001201600000000 ] - [ -0.0000341200000000, 0.0003489100000000, 0.0001708400000000 ] - [ -0.0001568700000000, -0.0012870400000000, 0.0000888400000000 ] - [ -0.0004131700000000, -0.0002657900000000, 0.0000253200000000 ] - [ -0.0003435500000000, -0.0001985000000000, 0.0000841900000000 ] - [ -0.0003572700000000, -0.0001555400000000, 0.0000088500000000 ] - [ -0.0019601600000000, 0.0017920600000000, 0.0025872300000000 ] - [ 0.0004305000000000, 0.0000724800000000, 0.0000622300000000 ] - [ 0.0004910000000000, 0.0001957600000000, 0.0002589600000000 ] - [ 0.0003523700000000, -0.0000172600000000, -0.0000002700000000 ] - [ 0.0000436700000000, 0.0000403600000000, 0.0001172900000000 ] - [ 0.0000344000000000, 0.0001411400000000, 0.0002353800000000 ] - [ 0.0001931500000000, -0.0003662800000000, 0.0007031700000000 ] - [ 0.0000788600000000, 0.0001401200000000, 0.0003436800000000 ] - [ -0.0008905600000000, 0.0014805900000000, 0.0004855700000000 ] - [ -0.0002873000000000, 0.0002131900000000, -0.0005301000000000 ] - [ -0.0000962500000000, 0.0002769200000000, -0.0002490900000000 ] - [ -0.0000824100000000, 0.0002452500000000, -0.0003750000000000 ] - [ -0.0000464600000000, -0.0001019400000000, -0.0006082500000000 ] - [ -0.0001278200000000, -0.0000313900000000, -0.0003214500000000 ] - [ -0.0003016100000000, -0.0001205800000000, -0.0001781200000000 ] - [ -0.0000871400000000, -0.0001303200000000, -0.0002518500000000 ] - [ 0.0002939000000000, 0.0012910800000000, 0.0008012000000000 ] - [ 0.0002116400000000, 0.0001404400000000, 0.0001415900000000 ] - [ 0.0000563600000000, 0.0001040100000000, 0.0003441200000000 ] - [ 0.0001864600000000, 0.0000537900000000, 0.0003441400000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0015698400000000, -0.0002286800000000, -0.0003361600000000 ] - [ -0.0003766700000000, -0.0002622500000000, -0.0002070600000000 ] - [ -0.0003686600000000, -0.0001420400000000, -0.0002868500000000 ] - [ -0.0003973700000000, -0.0000835400000000, -0.0001637300000000 ] - [ 0.0000994700000000, -0.0004215000000000, -0.0003366800000000 ] - [ 0.0000625800000000, -0.0000273800000000, -0.0002106700000000 ] - [ 0.0007412900000000, -0.0004245500000000, -0.0004829700000000 ] - [ -0.0008229500000000, -0.0001298200000000, 0.0002229500000000 ] - [ -0.0007924200000000, 0.0009558100000000, 0.0014438500000000 ] - [ -0.0000513400000000, 0.0000141000000000, 0.0001867900000000 ] - [ 0.0000415900000000, 0.0000388100000000, 0.0002088300000000 ] - [ -0.0002202100000000, 0.0000401100000000, 0.0002401200000000 ] - [ 0.0010348300000000, -0.0006229000000000, -0.0005791800000000 ] - [ 0.0003422600000000, 0.0001536400000000, -0.0000502600000000 ] - [ 0.0004516500000000, 0.0004669400000000, 0.0001059000000000 ] - [ 0.0004315600000000, -0.0000937600000000, 0.0001198000000000 ] - [ -0.0000016500000000, 0.0001863100000000, -0.0003975500000000 ] - [ 0.0004452200000000, -0.0001441100000000, 0.0000653900000000 ] - [ 0.0001955600000000, -0.0002542600000000, 0.0001802200000000 ] - [ 0.0004179700000000, -0.0002801900000000, 0.0001677500000000 ] - [ 0.0016290700000000, -0.0613577600000000, 0.0223799500000000 ] - [ -0.0001620500000000, -0.0002453600000000, -0.0000215400000000 ] - [ -0.0003216600000000, -0.0002216000000000, -0.0001193200000000 ] - [ -0.0003406000000000, -0.0002551400000000, -0.0001194000000000 ] - [ -0.0013578600000000, -0.0004500000000000, 0.0002758500000000 ] - [ 0.0006797500000000, -0.0001300000000000, 0.0007458100000000 ] - [ 0.0001861300000000, -0.0000653200000000, 0.0002518500000000 ] - [ 0.0001826900000000, -0.0001203700000000, 0.0003646200000000 ] - [ -0.0009242300000000, -0.0011474100000000, 0.0000900700000000 ] - [ 0.0000590900000000, 0.0000793200000000, -0.0005117900000000 ] - [ -0.0002163700000000, -0.0001555000000000, -0.0003433500000000 ] - [ -0.0001868400000000, -0.0002226300000000, -0.0002578600000000 ] - [ -0.0009465000000000, -0.0005749500000000, 0.0014227000000000 ] - [ -0.0000963000000000, 0.0001453500000000, -0.0000128900000000 ] - [ -0.0002015900000000, 0.0000802000000000, -0.0000791100000000 ] - [ -0.0001325200000000, 0.0001885600000000, -0.0000876400000000 ] - [ -0.0048139000000000, -0.0047648000000000, -0.0015894000000000 ] - [ 0.0000627000000000, 0.0002116600000000, 0.0000947800000000 ] - [ 0.0001242500000000, 0.0001792300000000, 0.0001274900000000 ] - [ 0.0002190000000000, 0.0002281600000000, 0.0001241500000000 ] - [ -0.0050002500000000, 0.0011139300000000, 0.0036699400000000 ] - [ 0.0001082500000000, 0.0002584500000000, 0.0000267800000000 ] - [ 0.0000425700000000, 0.0002605100000000, 0.0000847100000000 ] - [ 0.0000343700000000, 0.0001936300000000, 0.0000009600000000 ] - [ -0.0002529900000000, 0.0000502700000000, 0.0002785000000000 ] - [ -0.0001085700000000, 0.0002020800000000, 0.0000073800000000 ] - [ 0.0000104100000000, -0.0000683400000000, -0.0002061600000000 ] - [ -0.0001296200000000, 0.0002364600000000, -0.0000207200000000 ] - [ 0.0005907900000000, 0.0005756100000000, -0.0000632400000000 ] - [ -0.0005745000000000, 0.0001055100000000, 0.0001832500000000 ] - [ 0.0000886100000000, 0.0002014900000000, 0.0000142000000000 ] - [ 0.0000789500000000, 0.0002415800000000, 0.0000010000000000 ] - [ 0.0010005100000000, -0.0035829800000000, 0.0005490300000000 ] - [ 0.0000894800000000, -0.0002364900000000, -0.0001071900000000 ] - [ 0.0001302100000000, -0.0003735400000000, -0.0000053300000000 ] - [ 0.0001558600000000, -0.0002676700000000, -0.0000951600000000 ] - [ 0.0003408300000000, -0.0001611700000000, -0.0000651600000000 ] - [ -0.0002778800000000, -0.0001225200000000, -0.0002298800000000 ] - [ -0.0000454500000000, 0.0000327600000000, 0.0000282200000000 ] - [ -0.0001029500000000, 0.0001275200000000, 0.0000385100000000 ] - [ 0.0000063200000000, 0.0000183400000000, 0.0006565800000000 ] - [ -0.0001307700000000, -0.0001513200000000, 0.0001096400000000 ] - [ 0.0001937200000000, 0.0004371100000000, -0.0001348800000000 ] - [ -0.0003991800000000, 0.0005309700000000, -0.0003051000000000 ] - [ -0.0003993800000000, -0.0018344100000000, -0.0017985600000000 ] - [ -0.0000193600000000, -0.0001397800000000, -0.0001298500000000 ] - [ -0.0000375500000000, -0.0000967700000000, 0.0000596200000000 ] - [ 0.0000489600000000, -0.0001227400000000, -0.0001278600000000 ] - [ 0.0000484200000000, 0.0001632300000000, -0.0001097700000000 ] - [ 0.0000130700000000, -0.0000697300000000, 0.0001839100000000 ] - [ -0.0004664200000000, 0.0000154400000000, 0.0003694000000000 ] - [ 0.0002147400000000, -0.0001164800000000, 0.0002639300000000 ] - [ -0.0001018700000000, 0.0003054200000000, -0.0000697200000000 ] - [ -0.0001202600000000, 0.0001628600000000, -0.0002969200000000 ] - [ 0.0001707000000000, -0.0000504200000000, 0.0001620300000000 ] - [ -0.0000156900000000, -0.0000186000000000, 0.0000200000000000 ] - [ 0.0002648200000000, -0.0003060300000000, 0.0001475600000000 ] - [ -0.0003418600000000, -0.0003686400000000, 0.0002157900000000 ] - [ 0.0000550500000000, -0.0000363900000000, 0.0000675700000000 ] - [ 0.0000303700000000, -0.0000415200000000, -0.0000426800000000 ] - [ 0.0001522600000000, -0.0005135100000000, 0.0001796300000000 ] - [ 0.0005247400000000, -0.0000298700000000, -0.0000906600000000 ] - [ 0.0004813200000000, -0.0001246300000000, -0.0000584400000000 ] - [ 0.0004863900000000, -0.0000673700000000, -0.0000495000000000 ] - [ -0.0005656000000000, 0.0001234300000000, 0.0002124000000000 ] - [ -0.0004486400000000, -0.0000875300000000, 0.0001139300000000 ] - [ -0.0003047900000000, -0.0003546000000000, -0.0005000900000000 ] - [ -0.0004948200000000, -0.0000652300000000, 0.0000546300000000 ] - [ 0.0019872900000000, 0.0793526700000000, -0.0193336700000000 ] - [ -0.0002576200000000, 0.0001214000000000, 0.0001136400000000 ] - [ -0.0002115700000000, 0.0001107600000000, 0.0001821800000000 ] - [ -0.0002074800000000, 0.0000956000000000, 0.0001551500000000 ] - [ 0.0003216400000000, -0.0004650100000000, -0.0002359900000000 ] - [ 0.0002317000000000, 0.0000068700000000, -0.0001807400000000 ] - [ 0.0002120500000000, -0.0000000400000000, -0.0000913000000000 ] - [ 0.0002018900000000, 0.0000514800000000, -0.0001848700000000 ] - [ 0.0017846600000000, -0.0025018500000000, 0.0012501800000000 ] - [ -0.0005556000000000, -0.0002634800000000, 0.0001693800000000 ] - [ -0.0002343000000000, -0.0001774800000000, 0.0001678000000000 ] - [ -0.0002779300000000, -0.0001681800000000, 0.0001350500000000 ] - [ 0.0026610500000000, -0.0012057800000000, -0.0010756600000000 ] - [ -0.0002743800000000, -0.0001828200000000, -0.0003178700000000 ] - [ 0.0002472300000000, -0.0002395300000000, -0.0000424100000000 ] - [ 0.0002908800000000, -0.0002266400000000, -0.0001022700000000 ] - [ 0.0022414700000000, 0.0009303400000000, 0.0008981000000000 ] - [ -0.0001700200000000, 0.0003372500000000, 0.0004107800000000 ] - [ 0.0004057500000000, 0.0002251100000000, 0.0002410500000000 ] - [ 0.0004502500000000, 0.0001868000000000, 0.0004318000000000 ] - [ -0.0002640900000000, 0.0000771100000000, -0.0002315200000000 ] - [ -0.0005573600000000, 0.0001438500000000, -0.0002929500000000 ] - [ -0.0004349000000000, 0.0000539200000000, -0.0003258300000000 ] - [ -0.0001548400000000, -0.0001590800000000, -0.0004918900000000 ] - [ 0.0000991400000000, 0.0007534400000000, -0.0001265100000000 ] - [ 0.0001334100000000, 0.0003711100000000, 0.0000160500000000 ] - [ 0.0000725700000000, 0.0002047700000000, -0.0000943200000000 ] - [ 0.0000474600000000, 0.0001902400000000, -0.0000484500000000 ] - [ -0.0020063800000000, -0.0015487100000000, -0.0020871700000000 ] - [ 0.0001527300000000, -0.0000495700000000, -0.0001561800000000 ] - [ 0.0000122000000000, -0.0000308400000000, -0.0001415100000000 ] - [ -0.0000113500000000, -0.0001130100000000, -0.0001912900000000 ] - [ -0.0005954700000000, 0.0010500000000000, -0.0001180600000000 ] - [ -0.0003443900000000, 0.0000379500000000, -0.0000566200000000 ] - [ -0.0004145200000000, -0.0000289200000000, -0.0001159500000000 ] - [ -0.0004000000000000, -0.0000717700000000, -0.0000400200000000 ] - [ 0.0027118200000000, -0.0020366800000000, -0.0025628800000000 ] - [ 0.0003305400000000, -0.0002976400000000, -0.0000290600000000 ] - [ 0.0002682500000000, -0.0004197200000000, -0.0002213900000000 ] - [ 0.0004064800000000, -0.0002096100000000, 0.0000332400000000 ] - [ 0.0001377600000000, 0.0003575600000000, 0.0006413700000000 ] - [ 0.0001519900000000, 0.0002530300000000, 0.0005234500000000 ] - [ -0.0000055200000000, 0.0007542800000000, 0.0000589700000000 ] - [ 0.0001078400000000, 0.0002530100000000, 0.0004165400000000 ] - [ 0.0007723800000000, -0.0011212900000000, -0.0013080200000000 ] - [ 0.0001003700000000, 0.0001796700000000, -0.0002337900000000 ] - [ -0.0000908700000000, 0.0001160300000000, -0.0005085900000000 ] - [ -0.0001024900000000, 0.0001490700000000, -0.0003847500000000 ] - [ -0.0001919600000000, 0.0001448500000000, 0.0000504400000000 ] - [ -0.0001138100000000, 0.0000716200000000, -0.0002321200000000 ] - [ 0.0000580200000000, 0.0001563400000000, -0.0003753200000000 ] - [ -0.0001525700000000, 0.0001670300000000, -0.0002990000000000 ] - [ -0.0001110000000000, -0.0012926100000000, -0.0003067500000000 ] - [ 0.0000314900000000, -0.0001011300000000, 0.0004085800000000 ] - [ 0.0001849700000000, -0.0000651400000000, 0.0002107700000000 ] - [ 0.0000570200000000, -0.0000173700000000, 0.0002125100000000 ]- atom: 89 displacement: [ -0.0045549923526468, 0.0000000000000000, 0.0089023617466001 ] forces: - [ 0.0009224700000000, 0.0006171600000000, 0.0011572500000000 ] - [ -0.0002365100000000, -0.0000960100000000, 0.0003068500000000 ] - [ -0.0001743800000000, -0.0002558700000000, -0.0006320000000000 ] - [ -0.0005168700000000, -0.0001147300000000, -0.0003139700000000 ] - [ -0.0003804800000000, 0.0002995000000000, -0.0008676000000000 ] - [ 0.0001702900000000, 0.0000040100000000, -0.0002236800000000 ] - [ 0.0006365900000000, 0.0001243800000000, 0.0001350200000000 ] - [ -0.0011971200000000, -0.0004467100000000, 0.0003170200000000 ] - [ -0.0003459500000000, 0.0003704700000000, 0.0003116100000000 ] - [ 0.0000680500000000, 0.0000012900000000, 0.0002018900000000 ] - [ -0.0000128600000000, 0.0000377500000000, 0.0001159600000000 ] - [ -0.0002642700000000, 0.0000118000000000, 0.0002528000000000 ] - [ 0.0004365700000000, 0.0001095200000000, 0.0002602500000000 ] - [ 0.0004565500000000, 0.0001155300000000, 0.0002220300000000 ] - [ 0.0005833600000000, -0.0003818100000000, -0.0002183700000000 ] - [ 0.0003267300000000, -0.0001322500000000, 0.0000837900000000 ] - [ 0.0000072500000000, -0.0000311300000000, -0.0000991200000000 ] - [ 0.0005383800000000, -0.0001868600000000, 0.0000309100000000 ] - [ 0.0006679400000000, -0.0001501400000000, -0.0000487500000000 ] - [ 0.0001707000000000, -0.0002386800000000, 0.0000589900000000 ] - [ -0.0039024700000000, -0.0198546000000000, 0.0177286700000000 ] - [ -0.0001113200000000, -0.0002270600000000, -0.0000955500000000 ] - [ -0.0000034300000000, -0.0002054000000000, -0.0002191600000000 ] - [ -0.0006116900000000, -0.0003091000000000, -0.0002766500000000 ] - [ 0.0006340900000000, -0.0002342100000000, 0.0001593600000000 ] - [ 0.0004069100000000, -0.0002581300000000, 0.0007312600000000 ] - [ 0.0004105400000000, -0.0000284200000000, 0.0002030600000000 ] - [ 0.0000825700000000, -0.0001307500000000, 0.0003370100000000 ] - [ -0.0007235400000000, -0.0008811100000000, 0.0004743000000000 ] - [ -0.0000482800000000, 0.0004898600000000, -0.0003737400000000 ] - [ -0.0000517800000000, -0.0001630400000000, -0.0003784800000000 ] - [ -0.0003097700000000, -0.0001726100000000, -0.0004781700000000 ] - [ 0.0001762700000000, -0.0002675000000000, 0.0001451000000000 ] - [ -0.0001427300000000, 0.0001803800000000, -0.0000900900000000 ] - [ -0.0002575800000000, 0.0001250800000000, 0.0000169600000000 ] - [ -0.0000392500000000, 0.0001803100000000, -0.0000360800000000 ] - [ -0.0013256700000000, -0.0003110900000000, -0.0018400500000000 ] - [ 0.0000403900000000, 0.0001124800000000, -0.0000623000000000 ] - [ -0.0001163000000000, 0.0002614500000000, 0.0002972700000000 ] - [ 0.0003092600000000, 0.0002685700000000, 0.0002331800000000 ] - [ -0.0030013200000000, -0.0054817100000000, 0.0035231700000000 ] - [ -0.0000390600000000, 0.0002018100000000, -0.0001256600000000 ] - [ -0.0000263100000000, 0.0003324200000000, 0.0003462500000000 ] - [ 0.0001381200000000, 0.0002393100000000, 0.0000963000000000 ] - [ -0.0000849200000000, 0.0001844500000000, 0.0001100400000000 ] - [ -0.0001711100000000, 0.0002168700000000, -0.0000626500000000 ] - [ -0.0001672000000000, 0.0004243000000000, 0.0003617200000000 ] - [ -0.0000698600000000, 0.0002190300000000, -0.0000126300000000 ] - [ -0.0002712600000000, 0.0004126500000000, -0.0006430600000000 ] - [ -0.0008308300000000, -0.0003617000000000, -0.0002996000000000 ] - [ 0.0000464000000000, 0.0001422400000000, 0.0001546200000000 ] - [ 0.0000858000000000, 0.0001666700000000, 0.0001278300000000 ] - [ 0.0004383800000000, -0.0012455800000000, 0.0003801500000000 ] - [ 0.0000445600000000, -0.0001901900000000, -0.0001110200000000 ] - [ 0.0000630000000000, -0.0001946600000000, 0.0000394400000000 ] - [ 0.0002171500000000, -0.0002128000000000, -0.0000496900000000 ] - [ -0.0003618900000000, 0.0003428800000000, -0.0000521800000000 ] - [ -0.0001061300000000, 0.0000360200000000, -0.0003453500000000 ] - [ -0.0000536200000000, 0.0002275800000000, 0.0001705300000000 ] - [ -0.0000933700000000, 0.0001972000000000, 0.0001127500000000 ] - [ 0.0002119500000000, -0.0002570600000000, 0.0009548200000000 ] - [ -0.0001936900000000, -0.0001854500000000, 0.0001328800000000 ] - [ -0.0007824700000000, -0.0005308900000000, 0.0004587600000000 ] - [ -0.0000073300000000, -0.0001360900000000, 0.0000946800000000 ] - [ 0.0000160500000000, 0.0000217200000000, -0.0008582200000000 ] - [ -0.0000530500000000, -0.0001352800000000, -0.0001305700000000 ] - [ -0.0000678100000000, -0.0001247400000000, 0.0000306300000000 ] - [ 0.0000685400000000, -0.0001358900000000, -0.0001298800000000 ] - [ 0.0005473900000000, 0.0008353900000000, 0.0016528700000000 ] - [ -0.0000560100000000, -0.0001285500000000, 0.0001943200000000 ] - [ -0.0004661300000000, -0.0000925200000000, 0.0002477700000000 ] - [ 0.0004535500000000, -0.0001869900000000, 0.0001822700000000 ] - [ -0.0005196900000000, 0.0008825300000000, -0.0001748100000000 ] - [ 0.0001509600000000, 0.0003463000000000, -0.0002738400000000 ] - [ 0.0001603900000000, -0.0001530300000000, 0.0001985800000000 ] - [ -0.0000299400000000, -0.0000182600000000, 0.0000234700000000 ] - [ -0.0002515400000000, 0.0002602500000000, -0.0003864500000000 ] - [ 0.0000524600000000, -0.0000050800000000, -0.0002138000000000 ] - [ 0.0000258600000000, -0.0000379900000000, 0.0001333200000000 ] - [ 0.0000877600000000, 0.0000100700000000, 0.0001666600000000 ] - [ 0.0001621300000000, -0.0004789700000000, -0.0004110100000000 ] - [ 0.0004992700000000, -0.0000156600000000, -0.0002789900000000 ] - [ 0.0004373800000000, -0.0000324400000000, 0.0001672000000000 ] - [ 0.0004759200000000, -0.0000960400000000, 0.0000286500000000 ] - [ -0.0011043000000000, -0.0010449200000000, 0.0005371600000000 ] - [ -0.0003074600000000, -0.0002758300000000, 0.0000501400000000 ] - [ -0.0005365500000000, 0.0004368000000000, 0.0005410800000000 ] - [ -0.0005053200000000, -0.0000249400000000, 0.0000724800000000 ] - [ 0.0151985000000000, 0.0189639000000000, -0.0396432400000000 ] - [ -0.0003173600000000, 0.0000881400000000, 0.0001095600000000 ] - [ -0.0002712900000000, 0.0000476300000000, 0.0002685500000000 ] - [ -0.0001658500000000, 0.0000736000000000, 0.0002471900000000 ] - [ 0.0003113900000000, -0.0000520000000000, -0.0002739500000000 ] - [ 0.0001598700000000, 0.0000395100000000, -0.0001909300000000 ] - [ 0.0000286600000000, 0.0001287200000000, 0.0000517700000000 ] - [ 0.0002666400000000, 0.0000505000000000, -0.0001198900000000 ] - [ 0.0011629400000000, -0.0005805700000000, -0.0001905000000000 ] - [ -0.0005779800000000, -0.0003332200000000, 0.0001250900000000 ] - [ -0.0003930900000000, -0.0002160300000000, 0.0002324000000000 ] - [ -0.0001628200000000, -0.0001496500000000, 0.0002015900000000 ] - [ -0.0000040100000000, 0.0009919500000000, -0.0001565900000000 ] - [ -0.0001316700000000, -0.0001337500000000, -0.0002812200000000 ] - [ 0.0000324500000000, -0.0001417100000000, -0.0000355400000000 ] - [ 0.0004799900000000, -0.0002935700000000, -0.0000314800000000 ] - [ 0.0025227400000000, 0.0001232100000000, 0.0010697800000000 ] - [ 0.0003127500000000, 0.0001505500000000, 0.0002945100000000 ] - [ 0.0003429500000000, 0.0001938300000000, 0.0002585500000000 ] - [ 0.0008641300000000, 0.0002893300000000, 0.0005451800000000 ] - [ -0.0002343900000000, 0.0001380700000000, -0.0002080200000000 ] - [ -0.0005524500000000, 0.0001619500000000, -0.0002654500000000 ] - [ -0.0005652700000000, 0.0001192500000000, -0.0003273500000000 ] - [ -0.0000837200000000, 0.0002166400000000, -0.0003085800000000 ] - [ -0.0001124600000000, -0.0000036500000000, 0.0004481800000000 ] - [ 0.0002513900000000, 0.0002195500000000, 0.0001073400000000 ] - [ 0.0001059400000000, 0.0001155800000000, -0.0001923000000000 ] - [ -0.0000492100000000, 0.0001305500000000, -0.0000994400000000 ] - [ -0.0000924500000000, 0.0001696400000000, 0.0018153000000000 ] - [ 0.0003101100000000, 0.0000431700000000, -0.0001112400000000 ] - [ 0.0001452800000000, 0.0001366600000000, -0.0001760700000000 ] - [ -0.0001228500000000, 0.0000348300000000, -0.0003149700000000 ] - [ -0.0005414800000000, 0.0001871700000000, 0.0002067900000000 ] - [ -0.0002377500000000, -0.0000703900000000, 0.0001163600000000 ] - [ -0.0003037800000000, -0.0001603900000000, -0.0001971500000000 ] - [ -0.0004684700000000, -0.0001317400000000, -0.0000943700000000 ] - [ -0.0044449000000000, 0.0016904700000000, 0.0061384200000000 ] - [ 0.0004399400000000, -0.0001697700000000, 0.0001105800000000 ] - [ 0.0004498100000000, -0.0001228400000000, -0.0003088600000000 ] - [ 0.0002764800000000, -0.0001555500000000, -0.0000313000000000 ] - [ 0.0002619200000000, 0.0000106100000000, 0.0002794200000000 ] - [ 0.0001148600000000, 0.0002208100000000, 0.0004791700000000 ] - [ 0.0000540400000000, 0.0008195700000000, -0.0001813400000000 ] - [ 0.0000162100000000, 0.0002612800000000, 0.0004390800000000 ] - [ -0.0057587900000000, 0.0026824300000000, 0.0050453600000000 ] - [ 0.0000407100000000, 0.0002573200000000, -0.0001293700000000 ] - [ -0.0000014400000000, 0.0002530100000000, -0.0007608700000000 ] - [ -0.0001623800000000, 0.0001811200000000, -0.0004759600000000 ] - [ -0.0005088800000000, -0.0001928200000000, -0.0000841200000000 ] - [ 0.0000945100000000, -0.0000237800000000, -0.0003508500000000 ] - [ 0.0001083900000000, 0.0000356500000000, -0.0003690800000000 ] - [ -0.0002280100000000, 0.0002364600000000, -0.0003171500000000 ] - [ 0.0010657400000000, 0.0007347300000000, 0.0029184900000000 ] - [ 0.0003443700000000, 0.0000259000000000, 0.0003446700000000 ] - [ 0.0003221400000000, -0.0000013200000000, 0.0000579800000000 ] - [ -0.0000896100000000, 0.0001238600000000, 0.0000580000000000 ]- atom: 89 displacement: [ 0.0045549923526468, 0.0000000000000000, -0.0089023617466001 ] forces: - [ -0.0017026500000000, -0.0008014000000000, -0.0014706900000000 ] - [ -0.0005523400000000, -0.0000916500000000, -0.0006025700000000 ] - [ -0.0006128000000000, 0.0000640000000000, 0.0003286700000000 ] - [ -0.0002716900000000, -0.0000740000000000, 0.0000127300000000 ] - [ 0.0005392800000000, -0.0002853300000000, 0.0004909400000000 ] - [ -0.0000065900000000, 0.0000075600000000, -0.0001501100000000 ] - [ -0.0004705300000000, -0.0001096200000000, -0.0005127200000000 ] - [ 0.0013542600000000, 0.0004656500000000, -0.0006902600000000 ] - [ 0.0001746200000000, -0.0003535700000000, 0.0000580600000000 ] - [ -0.0002310100000000, 0.0000085400000000, 0.0001715600000000 ] - [ -0.0001517500000000, -0.0000282300000000, 0.0002556500000000 ] - [ 0.0001006700000000, -0.0000019000000000, 0.0001210000000000 ] - [ 0.0003469400000000, -0.0002956200000000, 0.0000478800000000 ] - [ 0.0003286600000000, -0.0003028200000000, 0.0000716900000000 ] - [ 0.0002055200000000, 0.0001972800000000, 0.0005118000000000 ] - [ 0.0004586800000000, -0.0000559300000000, 0.0002160300000000 ] - [ 0.0006473400000000, -0.0004028700000000, 0.0002421000000000 ] - [ 0.0001129500000000, -0.0002506900000000, 0.0001103400000000 ] - [ -0.0000138100000000, -0.0002893800000000, 0.0001892300000000 ] - [ 0.0004790400000000, -0.0001994100000000, 0.0000789300000000 ] - [ 0.0032325200000000, 0.0196963100000000, -0.0178587600000000 ] - [ -0.0005409100000000, -0.0002102600000000, -0.0000453300000000 ] - [ -0.0006485000000000, -0.0002328200000000, 0.0000774900000000 ] - [ -0.0000443100000000, -0.0001298700000000, 0.0001345600000000 ] - [ -0.0002250800000000, -0.0000684600000000, 0.0005064200000000 ] - [ 0.0000096800000000, -0.0000428400000000, -0.0000670100000000 ] - [ 0.0000025700000000, -0.0002736800000000, 0.0004589200000000 ] - [ 0.0003304300000000, -0.0001716400000000, 0.0003256900000000 ] - [ 0.0003140300000000, 0.0005661100000000, -0.0011316800000000 ] - [ -0.0003644900000000, -0.0007892500000000, -0.0002890900000000 ] - [ -0.0003607000000000, -0.0001393700000000, -0.0002853400000000 ] - [ -0.0001031200000000, -0.0001302900000000, -0.0001853100000000 ] - [ -0.0004027000000000, 0.0006511500000000, -0.0003033300000000 ] - [ -0.0000881500000000, 0.0001959700000000, -0.0000660500000000 ] - [ 0.0000238900000000, 0.0002516300000000, -0.0001742300000000 ] - [ -0.0001898600000000, 0.0001969100000000, -0.0001208200000000 ] - [ 0.0015399200000000, 0.0006700600000000, 0.0019959500000000 ] - [ 0.0001919400000000, 0.0002650900000000, 0.0002190800000000 ] - [ 0.0003460700000000, 0.0001168300000000, -0.0001370900000000 ] - [ -0.0000774200000000, 0.0001092200000000, -0.0000741000000000 ] - [ 0.0032268700000000, 0.0060192800000000, -0.0035511900000000 ] - [ 0.0002296900000000, 0.0002465200000000, 0.0001482200000000 ] - [ 0.0002168700000000, 0.0001164300000000, -0.0003203200000000 ] - [ 0.0000529300000000, 0.0002092600000000, -0.0000720000000000 ] - [ -0.0001057900000000, 0.0002645000000000, -0.0001356800000000 ] - [ -0.0000176000000000, 0.0002316200000000, 0.0000382600000000 ] - [ -0.0000234700000000, 0.0000216300000000, -0.0003862700000000 ] - [ -0.0001201700000000, 0.0002295900000000, -0.0000115100000000 ] - [ 0.0004362600000000, -0.0000751000000000, 0.0006175200000000 ] - [ 0.0009963000000000, 0.0006962400000000, 0.0002679200000000 ] - [ 0.0001240200000000, 0.0001949400000000, -0.0001796600000000 ] - [ 0.0000842000000000, 0.0001711400000000, -0.0001531100000000 ] - [ -0.0001863800000000, 0.0008340000000000, -0.0005425900000000 ] - [ 0.0001998500000000, -0.0002048100000000, -0.0000614500000000 ] - [ 0.0001821900000000, -0.0002018500000000, -0.0002098000000000 ] - [ 0.0000275600000000, -0.0001820500000000, -0.0001220900000000 ] - [ 0.0001895300000000, -0.0000012400000000, 0.0000775500000000 ] - [ -0.0000664700000000, 0.0003012800000000, 0.0003704500000000 ] - [ -0.0001180500000000, 0.0001103500000000, -0.0001427600000000 ] - [ -0.0000770700000000, 0.0001409200000000, -0.0000853700000000 ] - [ -0.0004515700000000, -0.0001373100000000, -0.0007780100000000 ] - [ -0.0000511300000000, -0.0002088100000000, 0.0000392400000000 ] - [ 0.0005349400000000, 0.0001376800000000, -0.0002852400000000 ] - [ -0.0002292200000000, -0.0002583400000000, 0.0000788100000000 ] - [ -0.0000059600000000, -0.0002304500000000, 0.0005667400000000 ] - [ 0.0000629900000000, -0.0000840300000000, -0.0001645100000000 ] - [ 0.0000779300000000, -0.0000937800000000, -0.0003239700000000 ] - [ -0.0000585400000000, -0.0000837700000000, -0.0001651200000000 ] - [ -0.0005502200000000, -0.0010438600000000, -0.0013430700000000 ] - [ 0.0000454600000000, -0.0000904300000000, 0.0001002500000000 ] - [ 0.0004571600000000, -0.0001262900000000, 0.0000467100000000 ] - [ -0.0004652000000000, -0.0000316800000000, 0.0001105100000000 ] - [ 0.0004497600000000, -0.0009184300000000, 0.0001455300000000 ] - [ -0.0002190000000000, -0.0003904000000000, 0.0002465100000000 ] - [ -0.0002270500000000, 0.0001078900000000, -0.0002230700000000 ] - [ -0.0000358100000000, -0.0000269700000000, -0.0000490600000000 ] - [ 0.0003208300000000, -0.0003071800000000, 0.0004146600000000 ] - [ 0.0000168000000000, -0.0000397300000000, 0.0002392300000000 ] - [ 0.0000425000000000, -0.0000069100000000, -0.0001057900000000 ] - [ -0.0000196700000000, -0.0000552400000000, -0.0001403400000000 ] - [ 0.0007877400000000, 0.0003555100000000, 0.0002775200000000 ] - [ 0.0004518400000000, -0.0001090800000000, 0.0001410200000000 ] - [ 0.0005127900000000, -0.0000919400000000, -0.0003027800000000 ] - [ 0.0004738000000000, -0.0000297000000000, -0.0001646200000000 ] - [ 0.0001510900000000, 0.0009073900000000, -0.0003996900000000 ] - [ -0.0006426300000000, 0.0001512700000000, 0.0000866300000000 ] - [ -0.0004123900000000, -0.0005644000000000, -0.0004026500000000 ] - [ -0.0004436500000000, -0.0000999300000000, 0.0000641600000000 ] - [ -0.0156248300000000, -0.0190801400000000, 0.0397900900000000 ] - [ -0.0001281500000000, 0.0000717200000000, 0.0001755100000000 ] - [ -0.0001740000000000, 0.0001116000000000, 0.0000180700000000 ] - [ -0.0002788100000000, 0.0000862300000000, 0.0000391300000000 ] - [ 0.0001326300000000, 0.0002100700000000, -0.0000130100000000 ] - [ 0.0002848600000000, 0.0001203000000000, -0.0000935600000000 ] - [ 0.0004167400000000, 0.0000317900000000, -0.0003354000000000 ] - [ 0.0001789100000000, 0.0001101000000000, -0.0001629100000000 ] - [ -0.0016739500000000, 0.0002021600000000, 0.0004444700000000 ] - [ 0.0000517000000000, -0.0000609200000000, 0.0001418200000000 ] - [ -0.0001319400000000, -0.0001769000000000, 0.0000357300000000 ] - [ -0.0003628600000000, -0.0002429900000000, 0.0000666000000000 ] - [ 0.0005272700000000, -0.0013849000000000, -0.0001114300000000 ] - [ 0.0006568200000000, -0.0002606000000000, 0.0000116400000000 ] - [ 0.0004919600000000, -0.0002518800000000, -0.0002309700000000 ] - [ 0.0000454700000000, -0.0000995300000000, -0.0002359700000000 ] - [ -0.0017196300000000, 0.0002038900000000, -0.0004825000000000 ] - [ 0.0004936900000000, 0.0001820000000000, 0.0002855900000000 ] - [ 0.0004680100000000, 0.0001382000000000, 0.0003189200000000 ] - [ -0.0000509700000000, 0.0000414000000000, 0.0000308500000000 ] - [ -0.0005762600000000, 0.0001938100000000, -0.0003698400000000 ] - [ -0.0002604300000000, 0.0001703700000000, -0.0003129100000000 ] - [ -0.0002459700000000, 0.0002123500000000, -0.0002514300000000 ] - [ -0.0007224800000000, 0.0001197800000000, -0.0002693000000000 ] - [ 0.0001524300000000, 0.0002374700000000, -0.0004223400000000 ] - [ -0.0002065600000000, 0.0000154700000000, -0.0000849800000000 ] - [ -0.0000609000000000, 0.0001183800000000, 0.0002128900000000 ] - [ 0.0000928700000000, 0.0001030200000000, 0.0001204700000000 ] - [ 0.0000652500000000, 0.0000596800000000, -0.0018223900000000 ] - [ -0.0003519000000000, 0.0001902200000000, 0.0000895700000000 ] - [ -0.0001892500000000, 0.0000977200000000, 0.0001521000000000 ] - [ 0.0000783900000000, 0.0001986800000000, 0.0002890400000000 ] - [ -0.0002103000000000, -0.0004064100000000, -0.0002382400000000 ] - [ -0.0005190400000000, -0.0001542300000000, -0.0001483800000000 ] - [ -0.0004535800000000, -0.0000655800000000, 0.0001630700000000 ] - [ -0.0002882800000000, -0.0000931400000000, 0.0000601400000000 ] - [ 0.0049190600000000, -0.0018638900000000, -0.0057952300000000 ] - [ 0.0003178100000000, -0.0000560600000000, -0.0000767000000000 ] - [ 0.0003079800000000, -0.0001021700000000, 0.0003394700000000 ] - [ 0.0004794700000000, -0.0000688300000000, 0.0000633100000000 ] - [ -0.0000801200000000, 0.0003794100000000, 0.0004830900000000 ] - [ 0.0000674200000000, 0.0001725800000000, 0.0002824900000000 ] - [ 0.0001325600000000, -0.0004279600000000, 0.0009390000000000 ] - [ 0.0001649100000000, 0.0001313000000000, 0.0003215000000000 ] - [ 0.0058188500000000, -0.0024472100000000, -0.0059766900000000 ] - [ -0.0002227600000000, 0.0001353100000000, -0.0006293400000000 ] - [ -0.0001806100000000, 0.0001402400000000, -0.0000031200000000 ] - [ -0.0000191500000000, 0.0002118000000000, -0.0002857100000000 ] - [ 0.0002689300000000, 0.0002293600000000, -0.0004655800000000 ] - [ -0.0003309900000000, 0.0000621500000000, -0.0002009700000000 ] - [ -0.0003459400000000, 0.0000025600000000, -0.0001835600000000 ] - [ -0.0000126800000000, -0.0001985200000000, -0.0002385200000000 ] - [ -0.0008345500000000, -0.0006969300000000, -0.0023421600000000 ] - [ -0.0001064300000000, 0.0000101400000000, 0.0002083800000000 ] - [ -0.0000828300000000, 0.0000382700000000, 0.0004919300000000 ] - [ 0.0003267300000000, -0.0000858700000000, 0.0004923600000000 ]- atom: 97 displacement: [ 0.0099999730884809, 0.0000000000000000, -0.0000231997770880 ] forces: - [ 0.0006698900000000, -0.0007734000000000, 0.0000885100000000 ] - [ -0.0008456700000000, -0.0001914700000000, -0.0002803500000000 ] - [ -0.0005307800000000, -0.0000589100000000, 0.0001845800000000 ] - [ -0.0003324900000000, -0.0001747500000000, -0.0003768100000000 ] - [ 0.0005560200000000, 0.0004650800000000, 0.0000890000000000 ] - [ -0.0002083500000000, -0.0001523600000000, -0.0003793600000000 ] - [ 0.0002592700000000, -0.0001389500000000, 0.0001758600000000 ] - [ -0.0001598600000000, -0.0000019200000000, -0.0002102800000000 ] - [ 0.0009594000000000, -0.0003823100000000, 0.0011762600000000 ] - [ -0.0006264300000000, 0.0000308100000000, -0.0006742800000000 ] - [ -0.0022478800000000, -0.0003189100000000, 0.0012241200000000 ] - [ 0.0009495500000000, 0.0001514100000000, -0.0001120300000000 ] - [ -0.0022603800000000, 0.0010707200000000, -0.0015248000000000 ] - [ -0.0010513400000000, 0.0025819400000000, -0.0060881200000000 ] - [ 0.0013513100000000, 0.0002640000000000, -0.0006913100000000 ] - [ 0.0000750100000000, -0.0003453900000000, 0.0009872800000000 ] - [ -0.0057183400000000, -0.0034862200000000, 0.0052683800000000 ] - [ -0.0022707000000000, 0.0008007600000000, 0.0001610400000000 ] - [ 0.0010033300000000, -0.0007115700000000, 0.0009322800000000 ] - [ -0.0005129000000000, 0.0002105800000000, -0.0006674300000000 ] - [ 0.0015942000000000, -0.0008453600000000, 0.0000631300000000 ] - [ -0.0007911800000000, -0.0005016500000000, 0.0001678500000000 ] - [ -0.0005076800000000, -0.0002480200000000, -0.0001047400000000 ] - [ -0.0001641600000000, -0.0001884000000000, -0.0000073000000000 ] - [ -0.0000207800000000, -0.0001099700000000, 0.0003328800000000 ] - [ 0.0003525600000000, -0.0003269200000000, 0.0003311600000000 ] - [ 0.0001428600000000, -0.0002526800000000, 0.0002370800000000 ] - [ 0.0002887200000000, -0.0001344600000000, 0.0004826300000000 ] - [ 0.0705939000000000, 0.0023383800000000, -0.0022186200000000 ] - [ -0.0006380300000000, -0.0002885100000000, -0.0003229800000000 ] - [ -0.0003188100000000, -0.0001020500000000, -0.0001388700000000 ] - [ 0.0000351100000000, -0.0000308700000000, -0.0003919100000000 ] - [ -0.0003146900000000, 0.0003611500000000, -0.0008396900000000 ] - [ 0.0017304000000000, -0.0013111100000000, 0.0023813100000000 ] - [ -0.0011377700000000, 0.0003137600000000, -0.0000549200000000 ] - [ 0.0006065000000000, 0.0001172000000000, -0.0000226800000000 ] - [ -0.0006453000000000, 0.0003215600000000, 0.0001348700000000 ] - [ 0.0004309400000000, 0.0002366200000000, 0.0001072800000000 ] - [ 0.0002672500000000, 0.0001704400000000, -0.0000386300000000 ] - [ -0.0000291600000000, 0.0002130000000000, 0.0001256400000000 ] - [ -0.0009391800000000, 0.0005522600000000, 0.0000030500000000 ] - [ 0.0005175400000000, 0.0002489700000000, -0.0000315800000000 ] - [ 0.0000608600000000, 0.0001999500000000, -0.0001162500000000 ] - [ 0.0001999900000000, 0.0003008600000000, 0.0001367300000000 ] - [ 0.0075332700000000, 0.0017777100000000, -0.0044046800000000 ] - [ 0.0023200900000000, -0.0004896800000000, 0.0007042200000000 ] - [ -0.0001823900000000, 0.0002690500000000, -0.0001756800000000 ] - [ -0.0000864600000000, 0.0002473400000000, -0.0002761400000000 ] - [ 0.0030724600000000, 0.0070701800000000, -0.0020505100000000 ] - [ 0.0003893800000000, -0.0000016600000000, 0.0002311600000000 ] - [ -0.0000382100000000, 0.0000635700000000, -0.0001111300000000 ] - [ 0.0001575100000000, 0.0001882200000000, -0.0000897900000000 ] - [ 0.0000396600000000, 0.0000154900000000, -0.0000512800000000 ] - [ 0.0003085000000000, -0.0002949200000000, -0.0002506800000000 ] - [ 0.0008373900000000, -0.0001311400000000, -0.0002943300000000 ] - [ -0.0001769700000000, -0.0002986700000000, 0.0001108000000000 ] - [ 0.0002011100000000, 0.0002574000000000, 0.0001166900000000 ] - [ -0.0003512700000000, -0.0001935300000000, -0.0000540000000000 ] - [ -0.0000954000000000, 0.0004188100000000, 0.0002298500000000 ] - [ -0.0001122700000000, 0.0001293800000000, -0.0001699800000000 ] - [ -0.0002916400000000, -0.0006032700000000, -0.0004361900000000 ] - [ 0.0001510700000000, -0.0000840300000000, 0.0002749800000000 ] - [ -0.0002475100000000, 0.0000236600000000, -0.0001695500000000 ] - [ -0.0000180500000000, -0.0002199700000000, 0.0001464300000000 ] - [ -0.0019326000000000, 0.0008944100000000, 0.0015046300000000 ] - [ 0.0002892200000000, -0.0000663400000000, 0.0000015600000000 ] - [ 0.0009859900000000, -0.0001171300000000, -0.0004757000000000 ] - [ -0.0002851400000000, -0.0002798600000000, 0.0001505700000000 ] - [ -0.0002642000000000, -0.0000982500000000, 0.0001101400000000 ] - [ 0.0001875000000000, -0.0000271300000000, 0.0002419100000000 ] - [ -0.0000579800000000, -0.0000705800000000, 0.0000270200000000 ] - [ 0.0000995900000000, -0.0000901600000000, 0.0001829600000000 ] - [ 0.0001858300000000, 0.0000338500000000, 0.0000448800000000 ] - [ -0.0004414500000000, -0.0000970900000000, 0.0001046000000000 ] - [ -0.0000205800000000, 0.0000496400000000, 0.0000563700000000 ] - [ -0.0000476600000000, -0.0000416200000000, -0.0001332100000000 ] - [ 0.0036604200000000, -0.0033549700000000, -0.0048395800000000 ] - [ 0.0002036700000000, 0.0000009800000000, 0.0002237600000000 ] - [ -0.0000800300000000, -0.0000133000000000, -0.0001734300000000 ] - [ -0.0001673500000000, 0.0002613300000000, 0.0005069000000000 ] - [ 0.0001763900000000, 0.0003220100000000, -0.0002236000000000 ] - [ 0.0006545900000000, -0.0000429200000000, -0.0000422300000000 ] - [ 0.0004336000000000, 0.0000733900000000, -0.0002813900000000 ] - [ 0.0004524000000000, -0.0002162500000000, 0.0000451700000000 ] - [ -0.0000498900000000, -0.0003427200000000, 0.0000572200000000 ] - [ -0.0006474800000000, 0.0002936200000000, 0.0009681600000000 ] - [ -0.0006219100000000, -0.0001638900000000, 0.0000656600000000 ] - [ -0.0003234100000000, -0.0000765800000000, -0.0001527400000000 ] - [ -0.0014612700000000, -0.0019646900000000, 0.0011019500000000 ] - [ 0.0002530800000000, 0.0003735700000000, 0.0000340900000000 ] - [ -0.0001173100000000, 0.0000514600000000, 0.0000514400000000 ] - [ -0.0002899900000000, 0.0000947900000000, 0.0002214800000000 ] - [ 0.0007856000000000, 0.0024942700000000, -0.0001591500000000 ] - [ 0.0005860200000000, -0.0004633100000000, -0.0004004600000000 ] - [ 0.0002166400000000, 0.0000637700000000, -0.0004036200000000 ] - [ 0.0003204600000000, 0.0001074200000000, 0.0001504100000000 ] - [ -0.0857492300000000, -0.0078889100000000, 0.0109791000000000 ] - [ 0.0004621900000000, -0.0001891500000000, -0.0000052300000000 ] - [ -0.0002121200000000, -0.0002080500000000, -0.0001058900000000 ] - [ -0.0003092000000000, -0.0002477600000000, 0.0001168200000000 ] - [ 0.0005268700000000, -0.0000711900000000, -0.0000867000000000 ] - [ 0.0001247000000000, -0.0002086200000000, -0.0000253100000000 ] - [ 0.0002614400000000, -0.0002029100000000, -0.0001168600000000 ] - [ 0.0002470200000000, -0.0001904100000000, -0.0001693300000000 ] - [ 0.0006368000000000, 0.0001500700000000, 0.0003582400000000 ] - [ 0.0002846400000000, 0.0004007100000000, 0.0000691900000000 ] - [ 0.0007737700000000, 0.0001067600000000, 0.0003466600000000 ] - [ -0.0001334700000000, 0.0002313600000000, 0.0002144200000000 ] - [ -0.0013498700000000, -0.0001185000000000, 0.0002090800000000 ] - [ 0.0028479000000000, 0.0000309700000000, -0.0006609600000000 ] - [ 0.0008933200000000, -0.0003580000000000, -0.0012390200000000 ] - [ 0.0010829500000000, 0.0001743400000000, 0.0004045700000000 ] - [ -0.0005893000000000, 0.0000428800000000, -0.0001832500000000 ] - [ -0.0006007700000000, 0.0012620300000000, -0.0001977500000000 ] - [ -0.0001813300000000, 0.0001484100000000, -0.0000141200000000 ] - [ 0.0002203200000000, 0.0000563600000000, -0.0000463100000000 ] - [ 0.0022182900000000, 0.0029651600000000, 0.0005796300000000 ] - [ -0.0004811100000000, 0.0001752200000000, -0.0000830400000000 ] - [ -0.0000724400000000, 0.0001941400000000, 0.0002379800000000 ] - [ -0.0000143600000000, 0.0000468000000000, -0.0001761500000000 ] - [ 0.0025438500000000, -0.0018163700000000, -0.0017775000000000 ] - [ -0.0009599200000000, -0.0001100300000000, 0.0000284900000000 ] - [ -0.0003600800000000, -0.0003925000000000, 0.0007503700000000 ] - [ -0.0003768500000000, 0.0000418700000000, -0.0003777700000000 ] - [ 0.0001470700000000, 0.0001894800000000, 0.0000864300000000 ] - [ -0.0006254700000000, -0.0007260400000000, -0.0008844400000000 ] - [ 0.0004243700000000, -0.0001050300000000, 0.0000549900000000 ] - [ 0.0003869000000000, -0.0001060000000000, 0.0000644000000000 ] - [ -0.0003140400000000, -0.0008877800000000, 0.0004215600000000 ] - [ 0.0001796100000000, 0.0005804700000000, 0.0002650700000000 ] - [ 0.0005199300000000, 0.0000913800000000, 0.0003087800000000 ] - [ -0.0001116400000000, 0.0002468100000000, 0.0004781300000000 ] - [ 0.0027647400000000, 0.0004650800000000, -0.0007187800000000 ] - [ -0.0004887200000000, 0.0001631700000000, -0.0003823100000000 ] - [ -0.0000658700000000, 0.0008657900000000, 0.0002214600000000 ] - [ -0.0002028900000000, -0.0000277000000000, -0.0008548700000000 ] - [ 0.0006904400000000, -0.0001842600000000, -0.0000629300000000 ] - [ -0.0005796900000000, 0.0001092400000000, -0.0004034800000000 ] - [ -0.0001247100000000, 0.0003588100000000, 0.0000265500000000 ] - [ -0.0003347700000000, -0.0004766600000000, -0.0005878400000000 ] - [ -0.0000869400000000, 0.0002797600000000, 0.0001702100000000 ] - [ -0.0007983700000000, -0.0005629200000000, 0.0009728200000000 ] - [ -0.0003056300000000, 0.0000886800000000, 0.0003071700000000 ] - [ 0.0007259200000000, 0.0000080700000000, 0.0001438400000000 ]- atom: 97 displacement: [ -0.0099999730884809, 0.0000000000000000, 0.0000231997770880 ] forces: - [ -0.0014557200000000, 0.0005745400000000, -0.0003875300000000 ] - [ 0.0000562300000000, 0.0000024700000000, -0.0000174900000000 ] - [ -0.0002584900000000, -0.0001311100000000, -0.0004829500000000 ] - [ -0.0004560300000000, -0.0000165800000000, 0.0000780800000000 ] - [ -0.0003935700000000, -0.0004508000000000, -0.0004555800000000 ] - [ 0.0003714400000000, 0.0001642700000000, 0.0000104300000000 ] - [ -0.0000979300000000, 0.0001575300000000, -0.0005367600000000 ] - [ 0.0003206300000000, 0.0000143600000000, -0.0001576300000000 ] - [ -0.0011296500000000, 0.0003736300000000, -0.0008620900000000 ] - [ 0.0004672100000000, -0.0000226100000000, 0.0010313300000000 ] - [ 0.0021062100000000, 0.0003294300000000, -0.0008611100000000 ] - [ -0.0011085200000000, -0.0001432600000000, 0.0004823800000000 ] - [ 0.0030583600000000, -0.0012723900000000, 0.0018535100000000 ] - [ 0.0018498400000000, -0.0027452300000000, 0.0063287800000000 ] - [ -0.0005726300000000, -0.0004591200000000, 0.0009916200000000 ] - [ 0.0007138900000000, 0.0001557500000000, -0.0006848100000000 ] - [ 0.0063676100000000, 0.0030713700000000, -0.0051672800000000 ] - [ 0.0029280100000000, -0.0012331800000000, -0.0000115600000000 ] - [ -0.0003391700000000, 0.0002815200000000, -0.0007962100000000 ] - [ 0.0011721500000000, -0.0006443600000000, 0.0008109900000000 ] - [ -0.0022496900000000, 0.0004334600000000, -0.0002224700000000 ] - [ 0.0001370600000000, 0.0000647200000000, -0.0003107400000000 ] - [ -0.0001500700000000, -0.0001878500000000, -0.0000388500000000 ] - [ -0.0004890700000000, -0.0002486700000000, -0.0001337800000000 ] - [ 0.0004289800000000, -0.0001920500000000, 0.0003238700000000 ] - [ 0.0000600700000000, 0.0000193200000000, 0.0003198600000000 ] - [ 0.0002695000000000, -0.0000486100000000, 0.0004204300000000 ] - [ 0.0001234400000000, -0.0001662300000000, 0.0001764300000000 ] - [ -0.0674748200000000, -0.0023296500000000, 0.0010949200000000 ] - [ 0.0002202100000000, -0.0000146300000000, -0.0003322800000000 ] - [ -0.0000907400000000, -0.0002017200000000, -0.0005167500000000 ] - [ -0.0004502600000000, -0.0002726600000000, -0.0002643900000000 ] - [ 0.0000948300000000, 0.0000070000000000, 0.0007006400000000 ] - [ -0.0019711100000000, 0.0016788300000000, -0.0025168900000000 ] - [ 0.0009137400000000, 0.0000637600000000, -0.0001072000000000 ] - [ -0.0008377300000000, 0.0002627600000000, -0.0001399300000000 ] - [ 0.0008748700000000, 0.0000603200000000, 0.0000309200000000 ] - [ -0.0002004200000000, 0.0001419800000000, 0.0000525000000000 ] - [ -0.0000338200000000, 0.0002082600000000, 0.0001991600000000 ] - [ 0.0002600100000000, 0.0001656100000000, 0.0000338300000000 ] - [ 0.0011268800000000, -0.0001124900000000, 0.0000176500000000 ] - [ -0.0003278700000000, 0.0001985300000000, 0.0000530700000000 ] - [ 0.0001321100000000, 0.0002472300000000, 0.0001362500000000 ] - [ -0.0000094300000000, 0.0001463900000000, -0.0001157200000000 ] - [ -0.0078177400000000, -0.0013448800000000, 0.0044368500000000 ] - [ -0.0024911600000000, 0.0009332400000000, -0.0007224300000000 ] - [ -0.0000072700000000, 0.0001795900000000, 0.0001640300000000 ] - [ -0.0001036100000000, 0.0001993400000000, 0.0002543000000000 ] - [ -0.0028460200000000, -0.0066693700000000, 0.0020007700000000 ] - [ -0.0002167000000000, 0.0003398100000000, -0.0002604800000000 ] - [ 0.0002083600000000, 0.0002742900000000, 0.0000843500000000 ] - [ 0.0000125300000000, 0.0001484700000000, 0.0000648600000000 ] - [ 0.0002099500000000, -0.0004110100000000, -0.0001192800000000 ] - [ -0.0000633000000000, -0.0000984300000000, 0.0000781700000000 ] - [ -0.0005926500000000, -0.0002682300000000, 0.0001214300000000 ] - [ 0.0004228700000000, -0.0000961300000000, -0.0002845100000000 ] - [ -0.0003692800000000, 0.0000784200000000, -0.0000912500000000 ] - [ 0.0001781800000000, 0.0005344100000000, 0.0000802400000000 ] - [ -0.0000746800000000, -0.0000855800000000, -0.0002025200000000 ] - [ -0.0000574700000000, 0.0002059400000000, 0.0001971700000000 ] - [ 0.0000522600000000, 0.0002093600000000, 0.0006058400000000 ] - [ -0.0003975700000000, -0.0003087600000000, -0.0001018400000000 ] - [ -0.0000051300000000, -0.0004192600000000, 0.0003494700000000 ] - [ -0.0002256800000000, -0.0001724500000000, 0.0000277800000000 ] - [ 0.0019753600000000, -0.0010929100000000, -0.0017546700000000 ] - [ -0.0002807500000000, -0.0001534200000000, -0.0002965100000000 ] - [ -0.0009778400000000, -0.0000968500000000, 0.0001872300000000 ] - [ 0.0002948600000000, 0.0000610400000000, -0.0004442200000000 ] - [ 0.0002581100000000, -0.0001243200000000, 0.0001801500000000 ] - [ -0.0001994600000000, -0.0001923300000000, 0.0000513200000000 ] - [ 0.0000465400000000, -0.0001493700000000, 0.0002679100000000 ] - [ -0.0001102200000000, -0.0001297400000000, 0.0001111800000000 ] - [ -0.0002521400000000, -0.0000794100000000, -0.0000726400000000 ] - [ 0.0003664700000000, 0.0000490300000000, -0.0001326800000000 ] - [ -0.0000460300000000, -0.0000939300000000, -0.0000826900000000 ] - [ -0.0000194900000000, -0.0000034600000000, 0.0001069600000000 ] - [ -0.0035398900000000, 0.0032813800000000, 0.0048126000000000 ] - [ -0.0001325100000000, -0.0000460400000000, -0.0001989900000000 ] - [ 0.0001500000000000, -0.0000324800000000, 0.0001996300000000 ] - [ 0.0002375700000000, -0.0003092900000000, -0.0004831800000000 ] - [ 0.0007687000000000, -0.0004362300000000, 0.0000878400000000 ] - [ 0.0002951000000000, -0.0000785200000000, -0.0000958000000000 ] - [ 0.0005163800000000, -0.0001968500000000, 0.0001439600000000 ] - [ 0.0004957400000000, 0.0000943300000000, -0.0001827900000000 ] - [ -0.0009002900000000, 0.0002200100000000, 0.0000766300000000 ] - [ -0.0003090200000000, -0.0004114500000000, -0.0008317100000000 ] - [ -0.0003235600000000, 0.0000448400000000, 0.0000803900000000 ] - [ -0.0006266800000000, -0.0000433600000000, 0.0002920300000000 ] - [ 0.0010441900000000, 0.0021015100000000, -0.0008059000000000 ] - [ -0.0006987600000000, -0.0002168400000000, 0.0002527800000000 ] - [ -0.0003268500000000, 0.0001044900000000, 0.0002365800000000 ] - [ -0.0001543000000000, 0.0000603500000000, 0.0000654100000000 ] - [ -0.0003324800000000, -0.0023560800000000, -0.0001331100000000 ] - [ -0.0001426200000000, 0.0006153000000000, 0.0001127400000000 ] - [ 0.0002250200000000, 0.0000925800000000, 0.0001196500000000 ] - [ 0.0001231100000000, 0.0000474800000000, -0.0004361800000000 ] - [ 0.0815933000000000, 0.0071895200000000, -0.0101521600000000 ] - [ -0.0009892600000000, -0.0002020500000000, 0.0002720600000000 ] - [ -0.0003183800000000, -0.0001841700000000, 0.0003750500000000 ] - [ -0.0002190900000000, -0.0001443100000000, 0.0001517800000000 ] - [ 0.0000033900000000, -0.0003218400000000, -0.0001804300000000 ] - [ 0.0004004800000000, -0.0001800800000000, -0.0002403300000000 ] - [ 0.0002660000000000, -0.0001897200000000, -0.0001485300000000 ] - [ 0.0002807200000000, -0.0002018700000000, -0.0000966100000000 ] - [ 0.0001787600000000, 0.0001796700000000, 0.0002201400000000 ] - [ 0.0005269500000000, -0.0000715400000000, 0.0005073800000000 ] - [ 0.0000395200000000, 0.0002245900000000, 0.0002290700000000 ] - [ 0.0009459000000000, 0.0000976900000000, 0.0003564900000000 ] - [ 0.0005396000000000, 0.0004545800000000, -0.0007933700000000 ] - [ -0.0036778000000000, 0.0003019800000000, 0.0000859500000000 ] - [ -0.0016964700000000, 0.0006912500000000, 0.0006650400000000 ] - [ -0.0018953200000000, 0.0001604100000000, -0.0009792400000000 ] - [ 0.0006300200000000, 0.0001914100000000, 0.0002060500000000 ] - [ 0.0006464500000000, -0.0010253300000000, 0.0002192800000000 ] - [ 0.0002262000000000, 0.0000909800000000, 0.0000338100000000 ] - [ -0.0001756800000000, 0.0001825400000000, 0.0000699400000000 ] - [ -0.0022701100000000, -0.0027255600000000, -0.0005900800000000 ] - [ 0.0004374500000000, 0.0000621600000000, 0.0000611000000000 ] - [ 0.0000304000000000, 0.0000444900000000, -0.0002623800000000 ] - [ -0.0000300300000000, 0.0001911700000000, 0.0001528600000000 ] - [ -0.0033115800000000, 0.0015559700000000, 0.0017325600000000 ] - [ 0.0002023000000000, -0.0001156300000000, -0.0000646300000000 ] - [ -0.0003984000000000, 0.0001698300000000, -0.0007948500000000 ] - [ -0.0003790600000000, -0.0002667200000000, 0.0003401600000000 ] - [ 0.0006050000000000, -0.0004163300000000, -0.0000473700000000 ] - [ 0.0013801500000000, 0.0004959700000000, 0.0009155500000000 ] - [ 0.0003320400000000, -0.0001201800000000, -0.0000207900000000 ] - [ 0.0003693400000000, -0.0001198200000000, -0.0000283500000000 ] - [ 0.0004904800000000, 0.0012867800000000, 0.0003478400000000 ] - [ 0.0000036900000000, -0.0001869200000000, 0.0005002000000000 ] - [ -0.0003431100000000, 0.0003006800000000, 0.0004539900000000 ] - [ 0.0002905100000000, 0.0001453600000000, 0.0002863000000000 ] - [ -0.0029360100000000, -0.0000563600000000, -0.0000912900000000 ] - [ 0.0003098300000000, 0.0002276000000000, -0.0003812100000000 ] - [ -0.0001162300000000, -0.0004824000000000, -0.0009871800000000 ] - [ 0.0000253400000000, 0.0004183500000000, 0.0000908900000000 ] - [ -0.0009292000000000, 0.0002184700000000, -0.0004894200000000 ] - [ 0.0003435000000000, -0.0000710900000000, -0.0001497900000000 ] - [ -0.0001106900000000, -0.0003231900000000, -0.0005812800000000 ] - [ 0.0000998500000000, 0.0005139300000000, 0.0000336300000000 ] - [ 0.0003169700000000, -0.0002454700000000, 0.0003801000000000 ] - [ 0.0010308800000000, 0.0005986600000000, -0.0004134200000000 ] - [ 0.0005439400000000, -0.0000569900000000, 0.0002462800000000 ] - [ -0.0004892400000000, 0.0000254300000000, 0.0004156600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006863800000000, -0.0005840100000000, -0.0000143200000000 ] - [ -0.0004648700000000, -0.0001349700000000, -0.0001628500000000 ] - [ -0.0003119300000000, -0.0001946700000000, -0.0002730500000000 ] - [ -0.0004658200000000, -0.0001551700000000, -0.0001505100000000 ] - [ 0.0001772800000000, 0.0000002700000000, -0.0003889500000000 ] - [ 0.0000411600000000, -0.0000142600000000, -0.0002299800000000 ] - [ 0.0000836200000000, -0.0001682500000000, -0.0001154800000000 ] - [ 0.0002014100000000, 0.0000207100000000, -0.0001795800000000 ] - [ 0.0008319200000000, -0.0000534200000000, 0.0003291000000000 ] - [ 0.0000755200000000, 0.0000069400000000, 0.0001346300000000 ] - [ -0.0003666300000000, -0.0000125600000000, 0.0003976300000000 ] - [ 0.0001312400000000, 0.0000073900000000, 0.0003423200000000 ] - [ -0.0001095000000000, 0.0002420000000000, 0.0000120300000000 ] - [ 0.0002342500000000, 0.0002600200000000, 0.0007633800000000 ] - [ 0.0005812600000000, 0.0000958700000000, 0.0000292500000000 ] - [ 0.0003032800000000, -0.0001119400000000, 0.0002362400000000 ] - [ -0.0004094100000000, 0.0001298800000000, -0.0011718200000000 ] - [ -0.0001109600000000, -0.0004247700000000, 0.0004243700000000 ] - [ 0.0003553600000000, -0.0002876000000000, 0.0001829700000000 ] - [ 0.0000122400000000, -0.0000483100000000, -0.0002613200000000 ] - [ -0.0014549400000000, -0.0000380000000000, -0.0002350100000000 ] - [ -0.0004232400000000, -0.0003320000000000, -0.0000709700000000 ] - [ -0.0002643000000000, -0.0002291600000000, -0.0000902800000000 ] - [ -0.0005479200000000, -0.0002746100000000, -0.0002449300000000 ] - [ 0.0003477600000000, -0.0001980400000000, 0.0003268800000000 ] - [ 0.0001627500000000, -0.0011899100000000, 0.0004090000000000 ] - [ 0.0002116600000000, -0.0001839300000000, 0.0003141700000000 ] - [ 0.0002228200000000, -0.0001780500000000, 0.0003071200000000 ] - [ 0.0018742200000000, 0.0083235000000000, -0.0006462200000000 ] - [ -0.0002513400000000, -0.0000717300000000, -0.0004393200000000 ] - [ -0.0001581200000000, -0.0000915600000000, -0.0002883200000000 ] - [ -0.0001550100000000, -0.0001243300000000, -0.0003535500000000 ] - [ 0.0003376000000000, -0.0000839300000000, -0.0003644000000000 ] - [ -0.0004849000000000, 0.0003213800000000, -0.0002387400000000 ] - [ -0.0002433200000000, 0.0001890600000000, -0.0000427700000000 ] - [ 0.0000602700000000, 0.0001235100000000, 0.0000188700000000 ] - [ 0.0002524200000000, 0.0010592600000000, -0.0002335500000000 ] - [ 0.0001665700000000, 0.0002225300000000, 0.0000891200000000 ] - [ 0.0000608200000000, 0.0002256300000000, 0.0001119900000000 ] - [ 0.0002367500000000, 0.0002509900000000, 0.0001696300000000 ] - [ 0.0003710800000000, 0.0004162400000000, -0.0000388200000000 ] - [ 0.0001615800000000, 0.0002506100000000, 0.0000204400000000 ] - [ 0.0000199700000000, 0.0002751300000000, 0.0000841200000000 ] - [ 0.0001398900000000, 0.0002807900000000, 0.0000428100000000 ] - [ 0.0018476900000000, 0.0006990700000000, -0.0012145200000000 ] - [ 0.0004850900000000, -0.0000321100000000, 0.0000623700000000 ] - [ -0.0001866400000000, 0.0001428500000000, -0.0000138600000000 ] - [ -0.0000929600000000, 0.0001907900000000, 0.0000222200000000 ] - [ 0.0058856600000000, 0.0001692800000000, -0.0004089800000000 ] - [ 0.0001054500000000, 0.0000473300000000, 0.0000521200000000 ] - [ 0.0000405200000000, 0.0000818900000000, 0.0000619100000000 ] - [ 0.0001014800000000, 0.0001593500000000, -0.0000441000000000 ] - [ 0.0003884100000000, -0.0003199200000000, 0.0003700200000000 ] - [ 0.0000968600000000, -0.0001998900000000, -0.0000976100000000 ] - [ 0.0002156200000000, -0.0001741200000000, -0.0001969300000000 ] - [ 0.0001192100000000, -0.0002130300000000, -0.0000587300000000 ] - [ -0.0000845700000000, 0.0002844400000000, 0.0000575500000000 ] - [ -0.0005120300000000, 0.0010233900000000, -0.0000052700000000 ] - [ -0.0000828800000000, 0.0002835700000000, 0.0000772500000000 ] - [ -0.0001132900000000, 0.0002152000000000, 0.0000339600000000 ] - [ -0.0004566500000000, 0.0000448000000000, 0.0005250700000000 ] - [ -0.0000432800000000, -0.0002009100000000, 0.0001305700000000 ] - [ 0.0000966800000000, -0.0000400100000000, -0.0000587900000000 ] - [ -0.0001406400000000, -0.0002188400000000, 0.0000930700000000 ] - [ -0.0001789500000000, 0.0005204000000000, 0.0010320600000000 ] - [ -0.0000071100000000, -0.0001065900000000, -0.0001507100000000 ] - [ 0.0000486800000000, -0.0000775000000000, -0.0000760400000000 ] - [ 0.0000357800000000, -0.0001514600000000, -0.0001123000000000 ] - [ -0.0007834000000000, 0.0002334300000000, 0.0004721500000000 ] - [ 0.0000590000000000, -0.0000711300000000, 0.0001762800000000 ] - [ 0.0000130800000000, -0.0000581100000000, 0.0001396700000000 ] - [ -0.0000197800000000, -0.0000716100000000, 0.0001376900000000 ] - [ -0.0000537200000000, 0.0000377000000000, -0.0000046000000000 ] - [ 0.0008098300000000, 0.0008263100000000, -0.0000191000000000 ] - [ -0.0000717100000000, 0.0000165300000000, 0.0000323000000000 ] - [ -0.0000590600000000, -0.0000115300000000, 0.0000057300000000 ] - [ -0.0028032400000000, -0.0023215400000000, -0.0000444700000000 ] - [ 0.0000403000000000, -0.0000329100000000, 0.0000813700000000 ] - [ -0.0000007500000000, -0.0000732200000000, 0.0000237700000000 ] - [ -0.0000785800000000, 0.0000822500000000, 0.0001847600000000 ] - [ -0.0000797500000000, 0.0003452800000000, 0.0002766200000000 ] - [ 0.0004991000000000, -0.0000271800000000, -0.0000791800000000 ] - [ 0.0004452500000000, 0.0000403100000000, -0.0000682300000000 ] - [ 0.0004625600000000, -0.0000789600000000, -0.0000723600000000 ] - [ -0.0004661300000000, -0.0002224200000000, 0.0001048000000000 ] - [ -0.0000452000000000, -0.0005118700000000, 0.0000074800000000 ] - [ -0.0005705900000000, -0.0001255000000000, -0.0001677000000000 ] - [ -0.0004482000000000, -0.0000817800000000, 0.0000379700000000 ] - [ -0.0015903700000000, 0.0023808400000000, -0.0009903500000000 ] - [ -0.0000132500000000, 0.0001468900000000, 0.0000973900000000 ] - [ -0.0002222600000000, 0.0000604300000000, 0.0001220600000000 ] - [ -0.0002134300000000, 0.0000507300000000, 0.0002004100000000 ] - [ 0.0014772100000000, 0.0010931600000000, -0.0008421200000000 ] - [ 0.0002716200000000, 0.0000672200000000, -0.0001879600000000 ] - [ 0.0002923400000000, 0.0001236100000000, -0.0001668000000000 ] - [ 0.0002477500000000, 0.0001099600000000, -0.0000206900000000 ] - [ -0.0077437500000000, -0.0313018500000000, -0.0027364400000000 ] - [ -0.0002598300000000, -0.0002872700000000, 0.0001659900000000 ] - [ -0.0002738200000000, -0.0003380600000000, -0.0000127400000000 ] - [ -0.0003147200000000, -0.0002490200000000, 0.0001085500000000 ] - [ 0.0001384900000000, -0.0000482200000000, -0.0000841900000000 ] - [ 0.0002785800000000, 0.0001317000000000, -0.0001355600000000 ] - [ 0.0002683200000000, -0.0001553400000000, -0.0001157400000000 ] - [ 0.0002564900000000, -0.0001790000000000, -0.0001342600000000 ] - [ 0.0003156000000000, 0.0001979600000000, 0.0002105600000000 ] - [ 0.0005454500000000, 0.0002148300000000, 0.0001942100000000 ] - [ 0.0004698000000000, 0.0001438100000000, 0.0002987000000000 ] - [ 0.0005839600000000, 0.0002906100000000, 0.0007507700000000 ] - [ -0.0003894900000000, 0.0001489300000000, -0.0003740600000000 ] - [ 0.0000630100000000, 0.0001523300000000, -0.0005636700000000 ] - [ -0.0005263100000000, 0.0003024200000000, -0.0001061800000000 ] - [ 0.0002549300000000, 0.0002569300000000, 0.0002168700000000 ] - [ -0.0002004000000000, 0.0000300500000000, 0.0000104000000000 ] - [ 0.0002352800000000, 0.0000425500000000, 0.0000428800000000 ] - [ -0.0000473100000000, 0.0001118800000000, 0.0000146000000000 ] - [ 0.0000570300000000, 0.0000410500000000, -0.0000062000000000 ] - [ 0.0015964800000000, 0.0128333600000000, 0.0039766200000000 ] - [ -0.0001147500000000, 0.0001723200000000, -0.0000245200000000 ] - [ -0.0000506200000000, 0.0001801000000000, 0.0000495200000000 ] - [ -0.0000044500000000, 0.0001335500000000, -0.0000200900000000 ] - [ -0.0008524700000000, 0.0031288800000000, 0.0016906700000000 ] - [ -0.0004206900000000, -0.0001620000000000, -0.0000037900000000 ] - [ -0.0003571900000000, -0.0001938300000000, 0.0001188200000000 ] - [ -0.0003685600000000, -0.0001186200000000, -0.0000831700000000 ] - [ 0.0007162900000000, 0.0000724600000000, -0.0000783800000000 ] - [ -0.0001520400000000, -0.0001287000000000, -0.0004327000000000 ] - [ 0.0003782100000000, -0.0000983900000000, 0.0000762800000000 ] - [ 0.0003957100000000, -0.0000750800000000, 0.0000045400000000 ] - [ 0.0000703900000000, -0.0002321800000000, 0.0004311800000000 ] - [ 0.0001155800000000, 0.0001014600000000, 0.0004460100000000 ] - [ 0.0001187300000000, 0.0000732900000000, 0.0002185600000000 ] - [ 0.0000645900000000, 0.0001631600000000, 0.0003669400000000 ] - [ 0.0001084200000000, 0.0017984800000000, -0.0012974400000000 ] - [ -0.0001452500000000, 0.0002589000000000, -0.0003937900000000 ] - [ 0.0000194700000000, 0.0004275100000000, -0.0003822200000000 ] - [ -0.0001362000000000, 0.0001978000000000, -0.0004940000000000 ] - [ -0.0000359500000000, -0.0005672900000000, -0.0001251900000000 ] - [ -0.0001902700000000, -0.0000442900000000, -0.0003027500000000 ] - [ -0.0000436400000000, -0.0000578300000000, -0.0003492500000000 ] - [ -0.0001766300000000, -0.0002669000000000, -0.0003907100000000 ] - [ 0.0002535000000000, 0.0004008700000000, 0.0003364000000000 ] - [ -0.0000937900000000, 0.0006071300000000, 0.0005601300000000 ] - [ 0.0000531500000000, 0.0000756900000000, 0.0002827700000000 ] - [ 0.0001277500000000, 0.0002424400000000, 0.0000464900000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001038600000000, 0.0004063900000000, -0.0002822600000000 ] - [ -0.0003206800000000, -0.0000541800000000, -0.0001346400000000 ] - [ -0.0004748000000000, 0.0000038900000000, -0.0000269400000000 ] - [ -0.0003219600000000, -0.0000338000000000, -0.0001488900000000 ] - [ -0.0000099200000000, 0.0000168500000000, 0.0000149600000000 ] - [ 0.0001207800000000, 0.0000270300000000, -0.0001405900000000 ] - [ 0.0000793900000000, 0.0001821900000000, -0.0002572600000000 ] - [ -0.0000421100000000, -0.0000081300000000, -0.0001917100000000 ] - [ -0.0009889300000000, 0.0000632600000000, 0.0000361400000000 ] - [ -0.0002309100000000, 0.0000028500000000, 0.0002457000000000 ] - [ 0.0002185700000000, 0.0000243100000000, -0.0000316900000000 ] - [ -0.0002989500000000, 0.0000019400000000, 0.0000316400000000 ] - [ 0.0009225800000000, -0.0004416100000000, 0.0002971700000000 ] - [ 0.0005596200000000, -0.0004628600000000, -0.0004267100000000 ] - [ 0.0002029900000000, -0.0002831100000000, 0.0002668400000000 ] - [ 0.0004828100000000, -0.0000743400000000, 0.0000550400000000 ] - [ 0.0010897100000000, -0.0004755300000000, 0.0012801800000000 ] - [ 0.0007856400000000, -0.0000168100000000, -0.0002786400000000 ] - [ 0.0002951200000000, -0.0001435000000000, -0.0000505700000000 ] - [ 0.0006444300000000, -0.0003857700000000, 0.0004031100000000 ] - [ 0.0008082800000000, -0.0003792200000000, 0.0000928800000000 ] - [ -0.0002337400000000, -0.0001030200000000, -0.0000721900000000 ] - [ -0.0003842300000000, -0.0002091500000000, -0.0000514800000000 ] - [ -0.0001096700000000, -0.0001642900000000, 0.0001009500000000 ] - [ 0.0000597700000000, -0.0001036200000000, 0.0003340900000000 ] - [ 0.0002446100000000, 0.0008914300000000, 0.0002526300000000 ] - [ 0.0002020600000000, -0.0001176100000000, 0.0003493900000000 ] - [ 0.0001896400000000, -0.0001238700000000, 0.0003542400000000 ] - [ -0.0024575500000000, -0.0086264300000000, 0.0000127500000000 ] - [ -0.0001566000000000, -0.0002316900000000, -0.0002195900000000 ] - [ -0.0002537500000000, -0.0002116800000000, -0.0003731500000000 ] - [ -0.0002595900000000, -0.0001791900000000, -0.0003083900000000 ] - [ -0.0005597500000000, 0.0004609800000000, 0.0002225100000000 ] - [ 0.0002437400000000, 0.0000673000000000, 0.0000634400000000 ] - [ 0.0000170100000000, 0.0001860100000000, -0.0001130100000000 ] - [ -0.0002947700000000, 0.0002532600000000, -0.0001749200000000 ] - [ -0.0000239700000000, -0.0006911900000000, 0.0003909600000000 ] - [ 0.0000640600000000, 0.0001549100000000, 0.0000690400000000 ] - [ 0.0001701300000000, 0.0001506200000000, 0.0000474100000000 ] - [ -0.0000041100000000, 0.0001265700000000, -0.0000109100000000 ] - [ -0.0001803700000000, 0.0000261900000000, 0.0000620200000000 ] - [ 0.0000283400000000, 0.0001966600000000, 0.0000018700000000 ] - [ 0.0001704800000000, 0.0001727000000000, -0.0000590900000000 ] - [ 0.0000506100000000, 0.0001673600000000, -0.0000190500000000 ] - [ -0.0020993900000000, -0.0002646400000000, 0.0012178700000000 ] - [ -0.0006876500000000, 0.0004834400000000, -0.0000918500000000 ] - [ -0.0000038900000000, 0.0003013600000000, -0.0000057700000000 ] - [ -0.0000979100000000, 0.0002559300000000, -0.0000427300000000 ] - [ -0.0056759000000000, 0.0001630000000000, 0.0003684100000000 ] - [ 0.0000650300000000, 0.0002922200000000, -0.0000812900000000 ] - [ 0.0001299800000000, 0.0002561200000000, -0.0000877600000000 ] - [ 0.0000685500000000, 0.0001787000000000, 0.0000180600000000 ] - [ -0.0001467100000000, -0.0000738700000000, -0.0005434000000000 ] - [ 0.0001454900000000, -0.0001933800000000, -0.0000737600000000 ] - [ 0.0000264000000000, -0.0002266100000000, 0.0000299200000000 ] - [ 0.0001267100000000, -0.0001816700000000, -0.0001139500000000 ] - [ -0.0000859100000000, 0.0000509800000000, -0.0000338700000000 ] - [ 0.0003431700000000, -0.0006903200000000, 0.0000278200000000 ] - [ -0.0000879600000000, 0.0000535100000000, -0.0000511100000000 ] - [ -0.0000575300000000, 0.0001228700000000, -0.0000058200000000 ] - [ 0.0002114900000000, -0.0004495800000000, -0.0003576400000000 ] - [ -0.0002019300000000, -0.0001940300000000, 0.0000406200000000 ] - [ -0.0003423300000000, -0.0003569400000000, 0.0002342800000000 ] - [ -0.0001024400000000, -0.0001749900000000, 0.0000793000000000 ] - [ 0.0001878600000000, -0.0007413900000000, -0.0013087800000000 ] - [ 0.0000159400000000, -0.0001126100000000, -0.0001452100000000 ] - [ -0.0000453200000000, -0.0001398700000000, -0.0002105800000000 ] - [ -0.0000240800000000, -0.0000657300000000, -0.0001832300000000 ] - [ 0.0007678500000000, -0.0004506200000000, -0.0001765700000000 ] - [ -0.0000702200000000, -0.0001485700000000, 0.0001176800000000 ] - [ -0.0000233700000000, -0.0001608000000000, 0.0001545200000000 ] - [ 0.0000095500000000, -0.0001474500000000, 0.0001566900000000 ] - [ -0.0000122400000000, -0.0000826700000000, -0.0000233400000000 ] - [ -0.0008704700000000, -0.0008722300000000, -0.0000089900000000 ] - [ 0.0000055600000000, -0.0000618900000000, -0.0000588800000000 ] - [ -0.0000074300000000, -0.0000332600000000, -0.0000317900000000 ] - [ 0.0028275000000000, 0.0023021400000000, 0.0000813800000000 ] - [ 0.0000266000000000, -0.0000124100000000, -0.0000562800000000 ] - [ 0.0000693200000000, 0.0000284700000000, 0.0000042500000000 ] - [ 0.0001481700000000, -0.0001271900000000, -0.0001586300000000 ] - [ 0.0010371000000000, -0.0004754300000000, -0.0004166300000000 ] - [ 0.0004508300000000, -0.0000970300000000, -0.0000581600000000 ] - [ 0.0005057300000000, -0.0001655000000000, -0.0000685500000000 ] - [ 0.0004873200000000, -0.0000457800000000, -0.0000645000000000 ] - [ -0.0004855400000000, 0.0001041800000000, 0.0000311300000000 ] - [ -0.0009082300000000, 0.0003844500000000, 0.0001227700000000 ] - [ -0.0003797000000000, 0.0000009700000000, 0.0003087400000000 ] - [ -0.0005020500000000, -0.0000429600000000, 0.0001006000000000 ] - [ 0.0011110900000000, -0.0022210700000000, 0.0012708000000000 ] - [ -0.0004326000000000, 0.0000097800000000, 0.0001885900000000 ] - [ -0.0002229400000000, 0.0000983000000000, 0.0001651200000000 ] - [ -0.0002311600000000, 0.0001069900000000, 0.0000859700000000 ] - [ -0.0010352700000000, -0.0009431600000000, 0.0005425300000000 ] - [ 0.0001712100000000, 0.0000946400000000, -0.0000962100000000 ] - [ 0.0001530200000000, 0.0000370300000000, -0.0001137700000000 ] - [ 0.0001975300000000, 0.0000480800000000, -0.0002641300000000 ] - [ 0.0073406300000000, 0.0305544500000000, 0.0028922200000000 ] - [ -0.0002737300000000, -0.0001081500000000, 0.0001022100000000 ] - [ -0.0002497000000000, -0.0000554500000000, 0.0002825400000000 ] - [ -0.0002116000000000, -0.0001450900000000, 0.0001608100000000 ] - [ 0.0003900800000000, -0.0003448100000000, -0.0001844400000000 ] - [ 0.0002513400000000, -0.0005253600000000, -0.0001357700000000 ] - [ 0.0002559300000000, -0.0002386200000000, -0.0001515500000000 ] - [ 0.0002687900000000, -0.0002148700000000, -0.0001331100000000 ] - [ 0.0004975200000000, 0.0001332800000000, 0.0003687200000000 ] - [ 0.0002660500000000, 0.0001156500000000, 0.0003857600000000 ] - [ 0.0003399300000000, 0.0001889000000000, 0.0002796800000000 ] - [ 0.0002290700000000, 0.0000415200000000, -0.0001667900000000 ] - [ -0.0004154900000000, 0.0001834700000000, -0.0002028700000000 ] - [ -0.0009074500000000, 0.0001806800000000, -0.0000199700000000 ] - [ -0.0002996000000000, 0.0000369900000000, -0.0004602500000000 ] - [ -0.0010657600000000, 0.0000771600000000, -0.0007931800000000 ] - [ 0.0002429200000000, 0.0002027800000000, 0.0000135200000000 ] - [ -0.0001854600000000, 0.0001784700000000, -0.0000147700000000 ] - [ 0.0000930900000000, 0.0001224600000000, 0.0000033000000000 ] - [ -0.0000142500000000, 0.0001924700000000, 0.0000273300000000 ] - [ -0.0015635200000000, -0.0120623200000000, -0.0037756900000000 ] - [ 0.0000728100000000, 0.0000599000000000, 0.0000030000000000 ] - [ 0.0000068500000000, 0.0000533200000000, -0.0000741100000000 ] - [ -0.0000401100000000, 0.0001001100000000, -0.0000031900000000 ] - [ 0.0001245600000000, -0.0036233800000000, -0.0018678000000000 ] - [ -0.0003327800000000, -0.0000640500000000, -0.0000287400000000 ] - [ -0.0004020400000000, -0.0000295800000000, -0.0001593800000000 ] - [ -0.0003880400000000, -0.0001083200000000, 0.0000508900000000 ] - [ 0.0000340100000000, -0.0003006000000000, 0.0001153500000000 ] - [ 0.0009123600000000, -0.0000923100000000, 0.0004678400000000 ] - [ 0.0003784400000000, -0.0001273000000000, -0.0000450200000000 ] - [ 0.0003607600000000, -0.0001507600000000, 0.0000280000000000 ] - [ 0.0001096400000000, 0.0006302800000000, 0.0003346200000000 ] - [ 0.0000666100000000, 0.0002890700000000, 0.0003149400000000 ] - [ 0.0000637700000000, 0.0003209200000000, 0.0005429500000000 ] - [ 0.0001200100000000, 0.0002291000000000, 0.0003935100000000 ] - [ -0.0002881200000000, -0.0013900800000000, 0.0004934400000000 ] - [ -0.0000366000000000, 0.0001349000000000, -0.0003664400000000 ] - [ -0.0002057400000000, -0.0000413600000000, -0.0003824900000000 ] - [ -0.0000459500000000, 0.0001968300000000, -0.0002641300000000 ] - [ -0.0002041000000000, 0.0006037800000000, -0.0004269700000000 ] - [ -0.0000471300000000, 0.0000844800000000, -0.0002466600000000 ] - [ -0.0001973200000000, 0.0000918600000000, -0.0002041500000000 ] - [ -0.0000640500000000, 0.0003053400000000, -0.0001615500000000 ] - [ -0.0000188500000000, -0.0003644900000000, 0.0002165500000000 ] - [ 0.0003414500000000, -0.0005578800000000, -0.0000108900000000 ] - [ 0.0001908100000000, -0.0000406000000000, 0.0002674700000000 ] - [ 0.0001109900000000, -0.0002044200000000, 0.0005080800000000 ]- atom: 97 displacement: [ -0.0045549923526468, 0.0000000000000000, 0.0089023617466001 ] forces: - [ -0.0008236500000000, 0.0002054100000000, 0.0001258100000000 ] - [ -0.0001373000000000, -0.0000784700000000, 0.0000033800000000 ] - [ -0.0002364700000000, -0.0001234700000000, -0.0005559100000000 ] - [ -0.0005049300000000, -0.0000653600000000, -0.0001627300000000 ] - [ -0.0002059400000000, -0.0004107200000000, -0.0004812600000000 ] - [ 0.0002146200000000, 0.0000241700000000, -0.0001223900000000 ] - [ 0.0000322300000000, 0.0003586600000000, -0.0003150500000000 ] - [ 0.0001713100000000, 0.0000326100000000, -0.0001480200000000 ] - [ 0.0008704600000000, 0.0003835200000000, -0.0004488100000000 ] - [ 0.0005892100000000, -0.0000155200000000, 0.0008852900000000 ] - [ 0.0007664000000000, 0.0002405100000000, -0.0002738700000000 ] - [ -0.0006285600000000, 0.0001432000000000, 0.0000682300000000 ] - [ 0.0018773300000000, -0.0007550100000000, 0.0010401400000000 ] - [ 0.0006953600000000, -0.0001094500000000, 0.0018008300000000 ] - [ -0.0000213000000000, -0.0004118100000000, 0.0002924000000000 ] - [ 0.0005064400000000, 0.0000827900000000, -0.0004547200000000 ] - [ 0.0039406400000000, -0.0005137200000000, -0.0002259100000000 ] - [ 0.0013982800000000, -0.0003392000000000, -0.0002544500000000 ] - [ -0.0001253700000000, 0.0000993200000000, -0.0005803500000000 ] - [ 0.0004466800000000, -0.0002800700000000, 0.0000581900000000 ] - [ -0.0010629300000000, 0.0000160700000000, -0.0000681400000000 ] - [ -0.0000117200000000, -0.0000246000000000, -0.0000975300000000 ] - [ -0.0001765100000000, -0.0001842000000000, -0.0001191600000000 ] - [ -0.0005431000000000, -0.0002795400000000, -0.0002418200000000 ] - [ 0.0002713600000000, -0.0001835300000000, 0.0003313400000000 ] - [ 0.0000645900000000, -0.0000457000000000, 0.0006165000000000 ] - [ 0.0002626000000000, -0.0000648800000000, 0.0003700300000000 ] - [ 0.0001800900000000, -0.0001556500000000, 0.0001889200000000 ] - [ -0.0334290300000000, -0.0018660900000000, 0.0074101100000000 ] - [ 0.0000245200000000, -0.0001083000000000, -0.0002671700000000 ] - [ 0.0000534600000000, -0.0002006200000000, -0.0005137400000000 ] - [ -0.0003419100000000, -0.0001886600000000, -0.0004160900000000 ] - [ -0.0006274400000000, 0.0003011600000000, 0.0000689100000000 ] - [ -0.0004844200000000, 0.0005806200000000, -0.0005868200000000 ] - [ 0.0005232800000000, 0.0000981900000000, -0.0000536100000000 ] - [ -0.0003975500000000, 0.0001295400000000, 0.0001085300000000 ] - [ 0.0005076900000000, 0.0004151400000000, -0.0002463300000000 ] - [ -0.0000904100000000, 0.0001297700000000, -0.0000115700000000 ] - [ -0.0000398600000000, 0.0002491000000000, 0.0002398700000000 ] - [ 0.0002701100000000, 0.0002172000000000, 0.0001764300000000 ] - [ 0.0005181300000000, -0.0002530500000000, -0.0001768100000000 ] - [ -0.0001180300000000, 0.0001960700000000, -0.0000285600000000 ] - [ 0.0000403600000000, 0.0002602200000000, 0.0001935100000000 ] - [ 0.0000910900000000, 0.0002277100000000, 0.0000203200000000 ] - [ -0.0058205700000000, -0.0007765100000000, 0.0035930500000000 ] - [ -0.0011541700000000, 0.0003950300000000, -0.0002470200000000 ] - [ -0.0002234400000000, 0.0002844700000000, 0.0002896200000000 ] - [ -0.0001038500000000, 0.0001800900000000, 0.0002523100000000 ] - [ -0.0038426000000000, -0.0037824200000000, 0.0000990200000000 ] - [ -0.0000803600000000, 0.0003451100000000, -0.0002445500000000 ] - [ 0.0000782200000000, 0.0001500500000000, 0.0001616200000000 ] - [ 0.0001014000000000, 0.0001616900000000, 0.0000784800000000 ] - [ 0.0002475200000000, -0.0003485500000000, 0.0000163500000000 ] - [ -0.0000310000000000, -0.0001245500000000, 0.0000024900000000 ] - [ -0.0003163300000000, -0.0000530500000000, -0.0000418000000000 ] - [ 0.0002220800000000, -0.0001388200000000, -0.0001333600000000 ] - [ -0.0002127700000000, 0.0000993000000000, -0.0000923200000000 ] - [ -0.0000465600000000, 0.0002493000000000, -0.0002994000000000 ] - [ -0.0000795100000000, 0.0001231100000000, -0.0000216000000000 ] - [ -0.0001018700000000, 0.0002282000000000, 0.0001876300000000 ] - [ -0.0003480000000000, 0.0003073900000000, 0.0007340200000000 ] - [ -0.0002168500000000, -0.0001827900000000, 0.0000159900000000 ] - [ -0.0005132200000000, -0.0005797500000000, 0.0004901300000000 ] - [ -0.0001661800000000, -0.0002092100000000, 0.0000330300000000 ] - [ 0.0017383000000000, 0.0007277700000000, 0.0025082600000000 ] - [ -0.0002240500000000, -0.0001415500000000, -0.0003610100000000 ] - [ -0.0006562300000000, -0.0001399000000000, 0.0000128000000000 ] - [ 0.0001346400000000, -0.0000419600000000, -0.0001945400000000 ] - [ -0.0002096900000000, 0.0000311700000000, 0.0002944200000000 ] - [ -0.0000751600000000, -0.0001498700000000, 0.0001212000000000 ] - [ 0.0000104000000000, -0.0001803200000000, 0.0002271800000000 ] - [ -0.0000456900000000, -0.0001139100000000, 0.0001245500000000 ] - [ -0.0001604900000000, -0.0000647600000000, -0.0000726400000000 ] - [ 0.0005970800000000, 0.0002077800000000, -0.0001010700000000 ] - [ -0.0000275800000000, -0.0000806200000000, 0.0000176000000000 ] - [ -0.0000370200000000, -0.0000201100000000, 0.0000820900000000 ] - [ -0.0073372000000000, 0.0018886600000000, 0.0018934500000000 ] - [ -0.0000614300000000, -0.0000516500000000, -0.0001387600000000 ] - [ 0.0000864700000000, 0.0000763900000000, 0.0002597700000000 ] - [ 0.0003094500000000, -0.0001270900000000, -0.0001487500000000 ] - [ 0.0005073700000000, -0.0000012200000000, -0.0000475400000000 ] - [ 0.0003906200000000, -0.0000333300000000, -0.0001283600000000 ] - [ 0.0004713200000000, -0.0001773100000000, 0.0001544600000000 ] - [ 0.0005245900000000, -0.0000257200000000, -0.0000843400000000 ] - [ -0.0007620300000000, 0.0001142700000000, 0.0000999700000000 ] - [ 0.0005420700000000, -0.0004609200000000, -0.0002203300000000 ] - [ -0.0002128600000000, 0.0000685100000000, 0.0003972200000000 ] - [ -0.0005915600000000, -0.0000555500000000, 0.0002208600000000 ] - [ 0.0010952300000000, 0.0000147200000000, -0.0002240100000000 ] - [ -0.0005483700000000, -0.0000844100000000, 0.0001280100000000 ] - [ -0.0003075800000000, 0.0000632600000000, 0.0002641600000000 ] - [ -0.0001806100000000, 0.0000725700000000, 0.0001796600000000 ] - [ -0.0002807100000000, -0.0018755900000000, -0.0002830700000000 ] - [ 0.0000274100000000, 0.0001636200000000, -0.0001845700000000 ] - [ 0.0002526200000000, 0.0001709000000000, 0.0000900400000000 ] - [ 0.0002082100000000, 0.0000971000000000, -0.0001567800000000 ] - [ 0.0466644300000000, 0.0007135300000000, -0.0266741600000000 ] - [ -0.0007217000000000, -0.0001710500000000, 0.0000281200000000 ] - [ -0.0005014500000000, -0.0003229800000000, 0.0002042200000000 ] - [ -0.0002571300000000, -0.0001957700000000, 0.0002147000000000 ] - [ 0.0001851900000000, -0.0002981400000000, -0.0002264100000000 ] - [ 0.0004198200000000, -0.0001892600000000, -0.0003541900000000 ] - [ 0.0002765500000000, -0.0002089700000000, -0.0001151100000000 ] - [ 0.0002380700000000, -0.0001982100000000, -0.0000751400000000 ] - [ 0.0002867100000000, 0.0001654300000000, 0.0002480300000000 ] - [ 0.0003171400000000, -0.0000863100000000, 0.0004373600000000 ] - [ 0.0002489300000000, 0.0002110900000000, 0.0002713000000000 ] - [ 0.0007908700000000, 0.0002327000000000, 0.0004827100000000 ] - [ -0.0004624200000000, 0.0002494000000000, -0.0006624300000000 ] - [ -0.0013860300000000, -0.0000273900000000, 0.0007075300000000 ] - [ -0.0016858300000000, 0.0008470200000000, 0.0009028000000000 ] - [ -0.0003084000000000, 0.0003725200000000, 0.0000848200000000 ] - [ 0.0002826700000000, 0.0001294100000000, 0.0004400300000000 ] - [ 0.0006146900000000, -0.0008425200000000, 0.0006187900000000 ] - [ 0.0001180600000000, 0.0000555700000000, -0.0000831500000000 ] - [ -0.0000780400000000, 0.0001301300000000, -0.0001104400000000 ] - [ -0.0006599900000000, 0.0022661300000000, 0.0016340400000000 ] - [ 0.0002346500000000, 0.0000259700000000, 0.0000685900000000 ] - [ 0.0000761000000000, 0.0001607700000000, -0.0002677600000000 ] - [ -0.0000953600000000, 0.0002139000000000, 0.0000067200000000 ] - [ -0.0020864900000000, 0.0021469100000000, 0.0029276200000000 ] - [ -0.0000628500000000, -0.0001007300000000, 0.0000850200000000 ] - [ -0.0003500700000000, 0.0000002400000000, -0.0005580700000000 ] - [ -0.0004292300000000, -0.0001966300000000, 0.0000520100000000 ] - [ 0.0005632300000000, -0.0003328000000000, 0.0001626200000000 ] - [ 0.0008303200000000, -0.0001036000000000, 0.0008244300000000 ] - [ 0.0003352300000000, -0.0000211300000000, -0.0001340100000000 ] - [ 0.0004034700000000, -0.0000617700000000, -0.0000343100000000 ] - [ 0.0004355600000000, 0.0009062000000000, 0.0003197400000000 ] - [ 0.0000380600000000, 0.0000729400000000, 0.0004469600000000 ] - [ -0.0001330200000000, 0.0001985000000000, 0.0003288600000000 ] - [ 0.0002077300000000, 0.0001241700000000, 0.0003085000000000 ] - [ -0.0017337600000000, -0.0006596600000000, 0.0033709500000000 ] - [ 0.0001687600000000, 0.0002365900000000, -0.0002806300000000 ] - [ -0.0000377200000000, -0.0001971100000000, -0.0010006300000000 ] - [ -0.0002021900000000, 0.0002764700000000, -0.0004278300000000 ] - [ -0.0005928000000000, 0.0001258800000000, -0.0004231800000000 ] - [ 0.0000748300000000, -0.0000119300000000, -0.0002097600000000 ] - [ -0.0000684100000000, -0.0002746600000000, -0.0004973900000000 ] - [ -0.0000602600000000, 0.0000507400000000, -0.0002200000000000 ] - [ 0.0000669600000000, -0.0000238300000000, 0.0004927400000000 ] - [ 0.0009311200000000, 0.0006479000000000, -0.0000521700000000 ] - [ 0.0003563600000000, -0.0000075900000000, 0.0001413500000000 ] - [ -0.0001316300000000, 0.0000395600000000, -0.0001553700000000 ]- atom: 97 displacement: [ 0.0045549923526468, 0.0000000000000000, -0.0089023617466001 ] forces: - [ 0.0000358400000000, -0.0003961000000000, -0.0004237400000000 ] - [ -0.0006470200000000, -0.0001122900000000, -0.0003004500000000 ] - [ -0.0005463400000000, -0.0000665400000000, 0.0002531600000000 ] - [ -0.0002826400000000, -0.0001231300000000, -0.0001372900000000 ] - [ 0.0003615400000000, 0.0004198000000000, 0.0001119800000000 ] - [ -0.0000512600000000, -0.0000121200000000, -0.0002487200000000 ] - [ 0.0001304400000000, -0.0003481800000000, -0.0000565900000000 ] - [ -0.0000108700000000, -0.0000200600000000, -0.0002222400000000 ] - [ -0.0010132500000000, -0.0003796700000000, 0.0008129400000000 ] - [ -0.0007538500000000, 0.0000223400000000, -0.0005204200000000 ] - [ -0.0009130400000000, -0.0002280500000000, 0.0006446600000000 ] - [ 0.0004664800000000, -0.0001309400000000, 0.0003022700000000 ] - [ -0.0010847500000000, 0.0005598500000000, -0.0007530500000000 ] - [ 0.0000896500000000, -0.0000886300000000, -0.0014755000000000 ] - [ 0.0008086500000000, 0.0002326300000000, -0.0000018800000000 ] - [ 0.0002747500000000, -0.0002726100000000, 0.0007558100000000 ] - [ -0.0032906700000000, 0.0000424800000000, 0.0003313100000000 ] - [ -0.0007334900000000, -0.0000949100000000, 0.0003866200000000 ] - [ 0.0007846100000000, -0.0005373800000000, 0.0007208600000000 ] - [ 0.0001995900000000, -0.0001504900000000, 0.0000755900000000 ] - [ 0.0004185000000000, -0.0004549000000000, -0.0000780100000000 ] - [ -0.0006415200000000, -0.0004146300000000, -0.0000441900000000 ] - [ -0.0004763000000000, -0.0002540500000000, -0.0000228600000000 ] - [ -0.0001125800000000, -0.0001592100000000, 0.0000999900000000 ] - [ 0.0001398500000000, -0.0001196400000000, 0.0003296000000000 ] - [ 0.0003479700000000, -0.0002616200000000, 0.0000433200000000 ] - [ 0.0001501300000000, -0.0002391300000000, 0.0002902800000000 ] - [ 0.0002307800000000, -0.0001474300000000, 0.0004720600000000 ] - [ 0.0339669600000000, 0.0016688100000000, -0.0080757500000000 ] - [ -0.0004295600000000, -0.0001979400000000, -0.0003881400000000 ] - [ -0.0004625800000000, -0.0001035400000000, -0.0001471000000000 ] - [ -0.0000714400000000, -0.0001148400000000, -0.0002454500000000 ] - [ 0.0003732400000000, 0.0000718900000000, -0.0001989900000000 ] - [ 0.0002531800000000, -0.0002011200000000, 0.0004198600000000 ] - [ -0.0007600900000000, 0.0002778000000000, -0.0001025100000000 ] - [ 0.0001715000000000, 0.0002461800000000, -0.0002639900000000 ] - [ -0.0002770000000000, -0.0000390000000000, 0.0004045300000000 ] - [ 0.0003218500000000, 0.0002469700000000, 0.0001689300000000 ] - [ 0.0002693500000000, 0.0001288400000000, -0.0000806600000000 ] - [ -0.0000381000000000, 0.0001602300000000, -0.0000179500000000 ] - [ -0.0003303300000000, 0.0007034900000000, 0.0002011400000000 ] - [ 0.0003083400000000, 0.0002520700000000, 0.0000521200000000 ] - [ 0.0001498800000000, 0.0001881500000000, -0.0001675800000000 ] - [ 0.0001002400000000, 0.0002209500000000, 0.0000039000000000 ] - [ 0.0055474900000000, 0.0012158600000000, -0.0035538500000000 ] - [ 0.0009491400000000, 0.0000561200000000, 0.0002223100000000 ] - [ 0.0000345700000000, 0.0001593900000000, -0.0003074100000000 ] - [ -0.0000864100000000, 0.0002682200000000, -0.0002772000000000 ] - [ 0.0040609700000000, 0.0041464500000000, -0.0001151800000000 ] - [ 0.0002485800000000, -0.0000051700000000, 0.0002153700000000 ] - [ 0.0000908700000000, 0.0001861600000000, -0.0001863400000000 ] - [ 0.0000680800000000, 0.0001755300000000, -0.0001037300000000 ] - [ -0.0000036500000000, -0.0000418500000000, -0.0001878700000000 ] - [ 0.0002748100000000, -0.0002695400000000, -0.0001744500000000 ] - [ 0.0005549500000000, -0.0003407000000000, -0.0001303300000000 ] - [ 0.0000214100000000, -0.0002539400000000, -0.0000393700000000 ] - [ 0.0000430000000000, 0.0002385100000000, 0.0001179500000000 ] - [ -0.0001248200000000, 0.0000916200000000, 0.0003262100000000 ] - [ -0.0000905800000000, 0.0002162200000000, 0.0000486300000000 ] - [ -0.0000674200000000, 0.0001089400000000, -0.0001612500000000 ] - [ 0.0001025400000000, -0.0006868900000000, -0.0005516600000000 ] - [ -0.0000277700000000, -0.0002118100000000, 0.0001564300000000 ] - [ 0.0002736500000000, 0.0001852400000000, -0.0003190300000000 ] - [ -0.0000772200000000, -0.0001854400000000, 0.0001383000000000 ] - [ -0.0017861300000000, -0.0009465700000000, -0.0027917800000000 ] - [ 0.0002347600000000, -0.0000768400000000, 0.0000673500000000 ] - [ 0.0006555200000000, -0.0000801000000000, -0.0003052900000000 ] - [ -0.0001246700000000, -0.0001778600000000, -0.0001025400000000 ] - [ 0.0002024200000000, -0.0002532100000000, 0.0000012800000000 ] - [ 0.0000646800000000, -0.0000693800000000, 0.0001745600000000 ] - [ -0.0000205300000000, -0.0000387900000000, 0.0000683400000000 ] - [ 0.0000363800000000, -0.0001054800000000, 0.0001706400000000 ] - [ 0.0000938200000000, 0.0000198700000000, 0.0000452700000000 ] - [ -0.0006614700000000, -0.0002498800000000, 0.0000746900000000 ] - [ -0.0000388200000000, 0.0000366800000000, -0.0000441900000000 ] - [ -0.0000287600000000, -0.0000242900000000, -0.0001088300000000 ] - [ 0.0075497700000000, -0.0019708000000000, -0.0019090100000000 ] - [ 0.0001278900000000, 0.0000065300000000, 0.0001640200000000 ] - [ -0.0000188400000000, -0.0001191500000000, -0.0002311000000000 ] - [ -0.0002392700000000, 0.0000802300000000, 0.0001724300000000 ] - [ 0.0004409200000000, -0.0001204000000000, -0.0000881300000000 ] - [ 0.0005601200000000, -0.0000919400000000, -0.0000092000000000 ] - [ 0.0004792500000000, 0.0000511800000000, -0.0002893600000000 ] - [ 0.0004264500000000, -0.0000997900000000, -0.0000518600000000 ] - [ -0.0001901700000000, -0.0002352400000000, 0.0000373200000000 ] - [ -0.0014866600000000, 0.0003357000000000, 0.0003568100000000 ] - [ -0.0007401500000000, -0.0001967000000000, -0.0002637500000000 ] - [ -0.0003588700000000, -0.0000702100000000, -0.0000845500000000 ] - [ -0.0015285900000000, 0.0001287900000000, 0.0005207900000000 ] - [ 0.0001033700000000, 0.0002462200000000, 0.0001569300000000 ] - [ -0.0001385600000000, 0.0000980400000000, 0.0000212200000000 ] - [ -0.0002640700000000, 0.0000887800000000, 0.0001053100000000 ] - [ 0.0007239600000000, 0.0020153200000000, 0.0000032300000000 ] - [ 0.0004159200000000, 0.0000002700000000, -0.0000971600000000 ] - [ 0.0001914700000000, -0.0000081800000000, -0.0003732500000000 ] - [ 0.0002386400000000, 0.0000653500000000, -0.0001245200000000 ] - [ -0.0482228600000000, -0.0011558100000000, 0.0271568100000000 ] - [ 0.0001869200000000, -0.0002224500000000, 0.0002361500000000 ] - [ -0.0000256600000000, -0.0000718000000000, 0.0000600600000000 ] - [ -0.0002678800000000, -0.0001970700000000, 0.0000536900000000 ] - [ 0.0003404700000000, -0.0000950500000000, -0.0000420800000000 ] - [ 0.0001048300000000, -0.0002024000000000, 0.0000875600000000 ] - [ 0.0002469000000000, -0.0001834600000000, -0.0001519700000000 ] - [ 0.0002875800000000, -0.0001943600000000, -0.0001921000000000 ] - [ 0.0005239200000000, 0.0001661200000000, 0.0003303000000000 ] - [ 0.0004925000000000, 0.0004188900000000, 0.0001403600000000 ] - [ 0.0005598400000000, 0.0001217200000000, 0.0003072200000000 ] - [ 0.0000225700000000, 0.0000982500000000, 0.0000941400000000 ] - [ -0.0003555300000000, 0.0000829900000000, 0.0000793000000000 ] - [ 0.0005667200000000, 0.0003569100000000, -0.0012739100000000 ] - [ 0.0008827200000000, -0.0005152100000000, -0.0014839900000000 ] - [ -0.0004851800000000, -0.0000384800000000, -0.0006543000000000 ] - [ -0.0002405800000000, 0.0001008800000000, -0.0004080900000000 ] - [ -0.0005720100000000, 0.0010741100000000, -0.0006007900000000 ] - [ -0.0000719500000000, 0.0001736800000000, 0.0001069600000000 ] - [ 0.0001205400000000, 0.0000992900000000, 0.0001337800000000 ] - [ 0.0006090300000000, -0.0020419700000000, -0.0016532300000000 ] - [ -0.0002768300000000, 0.0002030200000000, -0.0000916000000000 ] - [ -0.0001200700000000, 0.0000700600000000, 0.0002445000000000 ] - [ 0.0000504600000000, 0.0000166000000000, -0.0000299500000000 ] - [ 0.0013294400000000, -0.0024385400000000, -0.0029700900000000 ] - [ -0.0006928900000000, -0.0001254100000000, -0.0001150800000000 ] - [ -0.0004064000000000, -0.0002268800000000, 0.0005244900000000 ] - [ -0.0003274900000000, -0.0000305100000000, -0.0000812800000000 ] - [ 0.0001940200000000, 0.0001006000000000, -0.0001292600000000 ] - [ -0.0000742400000000, -0.0001206400000000, -0.0007963400000000 ] - [ 0.0004225700000000, -0.0002055900000000, 0.0001648400000000 ] - [ 0.0003524200000000, -0.0001642300000000, 0.0000646300000000 ] - [ -0.0002506400000000, -0.0005040700000000, 0.0004400000000000 ] - [ 0.0001445000000000, 0.0003207100000000, 0.0003125000000000 ] - [ 0.0003185200000000, 0.0001950700000000, 0.0004294100000000 ] - [ -0.0000258600000000, 0.0002707400000000, 0.0004517800000000 ] - [ 0.0015867300000000, 0.0011567600000000, -0.0043823900000000 ] - [ -0.0003517400000000, 0.0001592200000000, -0.0004780200000000 ] - [ -0.0001454100000000, 0.0005893100000000, 0.0002350300000000 ] - [ 0.0000190500000000, 0.0001203100000000, -0.0003321500000000 ] - [ 0.0003496900000000, -0.0000862300000000, -0.0001266100000000 ] - [ -0.0003118600000000, 0.0000512000000000, -0.0003387300000000 ] - [ -0.0001692400000000, 0.0003160700000000, -0.0000516200000000 ] - [ -0.0001809200000000, -0.0000156600000000, -0.0003305700000000 ] - [ 0.0001693700000000, 0.0000668400000000, 0.0000580100000000 ] - [ -0.0006987900000000, -0.0006103100000000, 0.0006048300000000 ] - [ -0.0001139900000000, 0.0000487600000000, 0.0004055400000000 ] - [ 0.0003681000000000, 0.0000026200000000, 0.0007011200000000 ]- atom: 105 displacement: [ 0.0099999730884809, 0.0000000000000000, -0.0000231997770880 ] forces: - [ -0.0032500700000000, 0.0003338200000000, 0.0014834900000000 ] - [ -0.0015260800000000, 0.0030237800000000, 0.0049475300000000 ] - [ -0.0008326600000000, -0.0004967100000000, -0.0010691900000000 ] - [ 0.0010837900000000, 0.0005031600000000, 0.0008778500000000 ] - [ -0.0000914800000000, 0.0000873100000000, -0.0004377600000000 ] - [ 0.0002743800000000, 0.0000749000000000, -0.0000232300000000 ] - [ -0.0005467800000000, -0.0001047500000000, -0.0002224200000000 ] - [ 0.0619371200000000, -0.0000105900000000, -0.0015038300000000 ] - [ 0.0008786100000000, -0.0003117200000000, 0.0003213400000000 ] - [ -0.0005947900000000, 0.0002113000000000, 0.0000606300000000 ] - [ -0.0000300900000000, 0.0000025000000000, 0.0002652600000000 ] - [ -0.0001645800000000, -0.0000327700000000, 0.0001090300000000 ] - [ 0.0007883600000000, -0.0001587700000000, 0.0003241000000000 ] - [ 0.0001236900000000, -0.0000521000000000, -0.0000232000000000 ] - [ 0.0004585000000000, 0.0000924500000000, 0.0003940500000000 ] - [ -0.0000481000000000, -0.0001848500000000, -0.0001980000000000 ] - [ 0.0004383100000000, -0.0003396900000000, -0.0002059700000000 ] - [ 0.0001335600000000, -0.0001703700000000, 0.0002766400000000 ] - [ -0.0003184300000000, -0.0002100000000000, 0.0000497600000000 ] - [ 0.0008772400000000, -0.0011596700000000, -0.0002611400000000 ] - [ -0.0062655300000000, -0.0022293300000000, -0.0066935100000000 ] - [ -0.0024152600000000, -0.0012364200000000, 0.0006624800000000 ] - [ -0.0009844500000000, 0.0000846200000000, 0.0003591400000000 ] - [ 0.0003026900000000, -0.0003067800000000, -0.0009624800000000 ] - [ 0.0011512000000000, -0.0002097900000000, 0.0007039500000000 ] - [ -0.0015490400000000, -0.0003539600000000, -0.0007964200000000 ] - [ 0.0013722700000000, -0.0004141800000000, -0.0006001000000000 ] - [ -0.0003313000000000, -0.0000353800000000, 0.0011557500000000 ] - [ -0.0003071400000000, -0.0002138000000000, -0.0002998500000000 ] - [ -0.0002500200000000, -0.0002862500000000, -0.0003130500000000 ] - [ -0.0005290400000000, -0.0002423500000000, -0.0004027800000000 ] - [ 0.0004779100000000, -0.0001906700000000, -0.0000804600000000 ] - [ -0.0002793900000000, 0.0001795100000000, 0.0000177600000000 ] - [ 0.0000336300000000, 0.0001740600000000, -0.0000853800000000 ] - [ 0.0002907300000000, 0.0001970100000000, -0.0002638300000000 ] - [ -0.0000452500000000, 0.0005584000000000, 0.0000314200000000 ] - [ 0.0072047900000000, 0.0027196700000000, 0.0045601300000000 ] - [ 0.0020690600000000, -0.0003125600000000, -0.0005521400000000 ] - [ 0.0001002200000000, 0.0002944400000000, 0.0002806200000000 ] - [ -0.0001117200000000, 0.0001419600000000, 0.0001583000000000 ] - [ 0.0001286200000000, 0.0006479300000000, 0.0004812600000000 ] - [ 0.0026006500000000, -0.0004675700000000, -0.0031283900000000 ] - [ 0.0008898300000000, 0.0002655600000000, 0.0000556400000000 ] - [ -0.0009356700000000, 0.0001839500000000, -0.0000443700000000 ] - [ -0.0004108500000000, 0.0002666100000000, -0.0000338900000000 ] - [ 0.0001668100000000, 0.0002028600000000, -0.0000080400000000 ] - [ 0.0001639300000000, 0.0001651700000000, -0.0000122800000000 ] - [ 0.0002196700000000, 0.0005484400000000, 0.0002633300000000 ] - [ 0.0003356400000000, 0.0000599900000000, 0.0000162200000000 ] - [ -0.0001514000000000, 0.0004155200000000, -0.0003925100000000 ] - [ 0.0003557400000000, 0.0002337400000000, 0.0002399500000000 ] - [ -0.0001882100000000, 0.0001371700000000, -0.0001204300000000 ] - [ -0.0002080100000000, 0.0001413700000000, -0.0002470900000000 ] - [ 0.0004922000000000, -0.0004265200000000, -0.0000793700000000 ] - [ 0.0001442100000000, -0.0002023500000000, -0.0001742900000000 ] - [ 0.0001362800000000, -0.0001573100000000, 0.0000695100000000 ] - [ -0.0003782700000000, 0.0000459100000000, -0.0003298600000000 ] - [ 0.0005353200000000, 0.0003386900000000, 0.0002550900000000 ] - [ -0.0002674800000000, 0.0001134800000000, -0.0002672700000000 ] - [ 0.0001389000000000, 0.0001375500000000, 0.0002168000000000 ] - [ -0.0002257700000000, -0.0003527100000000, 0.0002864100000000 ] - [ -0.0000687800000000, -0.0001417300000000, 0.0001254200000000 ] - [ 0.0002327000000000, -0.0002883700000000, -0.0000653700000000 ] - [ 0.0031531600000000, 0.0069161800000000, 0.0019838700000000 ] - [ -0.0004658100000000, -0.0000275300000000, -0.0002411300000000 ] - [ 0.0003138600000000, -0.0000574900000000, -0.0001733500000000 ] - [ 0.0000140100000000, -0.0001155400000000, -0.0002564900000000 ] - [ -0.0000613000000000, -0.0001049600000000, -0.0000003000000000 ] - [ -0.0000941700000000, 0.0000071800000000, 0.0005456300000000 ] - [ -0.0001222300000000, 0.0001665200000000, -0.0002980500000000 ] - [ 0.0002131800000000, -0.0001320700000000, -0.0001095400000000 ] - [ 0.0040185300000000, -0.0035786500000000, 0.0049744600000000 ] - [ -0.0003555000000000, -0.0000305000000000, -0.0002242400000000 ] - [ 0.0009757500000000, 0.0000590100000000, 0.0002133500000000 ] - [ -0.0018877400000000, 0.0013233800000000, -0.0022437900000000 ] - [ 0.0002530000000000, -0.0000763600000000, -0.0000842700000000 ] - [ 0.0002097200000000, 0.0000206000000000, 0.0000629700000000 ] - [ -0.0004205900000000, -0.0001436300000000, -0.0000658200000000 ] - [ 0.0002113100000000, -0.0000672600000000, 0.0001374400000000 ] - [ -0.0001739500000000, 0.0000724200000000, -0.0000987700000000 ] - [ 0.0009233000000000, 0.0002060600000000, -0.0002614900000000 ] - [ 0.0005335500000000, -0.0006459300000000, -0.0005561900000000 ] - [ 0.0005760700000000, -0.0000132200000000, 0.0001648800000000 ] - [ 0.0001989200000000, 0.0000645800000000, -0.0007417500000000 ] - [ -0.0005807100000000, -0.0000854500000000, 0.0000140600000000 ] - [ -0.0003393200000000, -0.0000677600000000, 0.0001678100000000 ] - [ -0.0010286200000000, -0.0005946800000000, -0.0003918300000000 ] - [ 0.0000377600000000, 0.0000926700000000, 0.0001343800000000 ] - [ 0.0002983500000000, -0.0017681700000000, 0.0027982700000000 ] - [ -0.0001454000000000, 0.0006618800000000, 0.0000789000000000 ] - [ -0.0001583000000000, 0.0000808800000000, 0.0001047000000000 ] - [ -0.0002986400000000, 0.0000336900000000, 0.0006177300000000 ] - [ 0.0001189400000000, 0.0002238900000000, -0.0000013100000000 ] - [ 0.0002412700000000, -0.0000699800000000, -0.0002953000000000 ] - [ 0.0004163200000000, 0.0000526700000000, -0.0002201900000000 ] - [ -0.0000933900000000, 0.0003277500000000, 0.0000555300000000 ] - [ -0.0000329900000000, -0.0002869800000000, 0.0001187500000000 ] - [ -0.0003818700000000, -0.0000559900000000, -0.0000268400000000 ] - [ 0.0001055800000000, -0.0001313400000000, 0.0001485900000000 ] - [ -0.0008009500000000, -0.0000167100000000, 0.0002918200000000 ] - [ -0.0006867700000000, -0.0002124100000000, -0.0006822200000000 ] - [ 0.0035363100000000, -0.0006850900000000, 0.0004362700000000 ] - [ 0.0015539000000000, -0.0000841500000000, -0.0009168200000000 ] - [ 0.0017438300000000, -0.0008551300000000, 0.0007248000000000 ] - [ -0.0780666400000000, -0.0067221100000000, -0.0063334100000000 ] - [ 0.0011707300000000, 0.0001329200000000, 0.0004693200000000 ] - [ 0.0003252500000000, 0.0001552900000000, 0.0003024500000000 ] - [ 0.0004728300000000, 0.0001629900000000, 0.0006074800000000 ] - [ -0.0003519300000000, 0.0002191000000000, -0.0001677900000000 ] - [ -0.0004185900000000, 0.0001570900000000, -0.0003316500000000 ] - [ 0.0002028000000000, 0.0001991400000000, -0.0002573200000000 ] - [ -0.0011590100000000, 0.0000940900000000, -0.0004177500000000 ] - [ 0.0006408700000000, 0.0001753600000000, 0.0000618400000000 ] - [ -0.0004619900000000, 0.0000977100000000, 0.0000944500000000 ] - [ -0.0001559100000000, -0.0002762900000000, 0.0003768100000000 ] - [ 0.0000015800000000, 0.0003737200000000, -0.0004203300000000 ] - [ -0.0003776800000000, 0.0007261900000000, -0.0009657400000000 ] - [ 0.0000540300000000, -0.0000302100000000, 0.0003346100000000 ] - [ -0.0004559200000000, 0.0001026900000000, -0.0000078100000000 ] - [ 0.0027433000000000, 0.0003177500000000, 0.0004206300000000 ] - [ -0.0003706900000000, -0.0010514900000000, 0.0001486900000000 ] - [ -0.0004987700000000, 0.0003278500000000, 0.0001809200000000 ] - [ -0.0006620200000000, -0.0000861600000000, -0.0000557900000000 ] - [ 0.0000993400000000, -0.0002236100000000, -0.0000723400000000 ] - [ 0.0012655200000000, -0.0001234900000000, -0.0003270300000000 ] - [ -0.0000608000000000, -0.0000559200000000, 0.0001335500000000 ] - [ 0.0001542100000000, -0.0000896600000000, 0.0001782500000000 ] - [ -0.0006997800000000, -0.0005248400000000, -0.0008079500000000 ] - [ 0.0003121700000000, 0.0001392900000000, 0.0003890800000000 ] - [ -0.0000501000000000, 0.0001881100000000, 0.0004736100000000 ] - [ -0.0001450700000000, 0.0001477900000000, 0.0004272200000000 ] - [ -0.0007997500000000, 0.0013329100000000, 0.0006050000000000 ] - [ -0.0007314300000000, 0.0006657900000000, -0.0002936800000000 ] - [ -0.0008744900000000, -0.0005674000000000, 0.0007821700000000 ] - [ -0.0001263100000000, 0.0002356000000000, -0.0004857600000000 ] - [ -0.0000220500000000, 0.0001907800000000, -0.0004524100000000 ] - [ -0.0001006300000000, -0.0003695000000000, -0.0011843100000000 ] - [ -0.0001901900000000, 0.0001654000000000, 0.0001164500000000 ] - [ -0.0007122800000000, 0.0000441900000000, -0.0001727600000000 ] - [ 0.0026753400000000, -0.0015929600000000, 0.0008909700000000 ] - [ 0.0028646800000000, 0.0036202300000000, 0.0000296300000000 ] - [ -0.0004530300000000, 0.0000020100000000, 0.0002756900000000 ] - [ 0.0001309300000000, -0.0000835900000000, 0.0004295400000000 ] - [ 0.0000822000000000, 0.0001380500000000, -0.0000099600000000 ]- atom: 105 displacement: [ -0.0099999730884809, 0.0000000000000000, 0.0000231997770880 ] forces: - [ 0.0024461300000000, -0.0005109700000000, -0.0017625000000000 ] - [ 0.0007477500000000, -0.0032430300000000, -0.0052927500000000 ] - [ 0.0000477300000000, 0.0003084700000000, 0.0007754600000000 ] - [ -0.0018550700000000, -0.0006852300000000, -0.0011703000000000 ] - [ 0.0002522400000000, -0.0000736300000000, 0.0000664800000000 ] - [ -0.0001105700000000, -0.0000625700000000, -0.0003453100000000 ] - [ 0.0007124000000000, 0.0001173800000000, -0.0001467200000000 ] - [ -0.0651567500000000, -0.0001838700000000, 0.0008728200000000 ] - [ -0.0010377500000000, 0.0003234700000000, 0.0000459300000000 ] - [ 0.0004337300000000, -0.0002004800000000, 0.0003099300000000 ] - [ -0.0001323300000000, 0.0000090400000000, 0.0001051400000000 ] - [ 0.0000033600000000, 0.0000438800000000, 0.0002600700000000 ] - [ 0.0000006400000000, -0.0000308300000000, -0.0000223400000000 ] - [ 0.0006631000000000, -0.0001368100000000, 0.0003216700000000 ] - [ 0.0003318100000000, -0.0003021100000000, -0.0001085100000000 ] - [ 0.0008356000000000, -0.0000057400000000, 0.0004974000000000 ] - [ 0.0002160200000000, -0.0000949300000000, 0.0003469700000000 ] - [ 0.0005160600000000, -0.0002631500000000, -0.0001353200000000 ] - [ 0.0009724400000000, -0.0002256500000000, 0.0000909100000000 ] - [ -0.0002336900000000, 0.0007417000000000, 0.0004082200000000 ] - [ 0.0056367800000000, 0.0017717700000000, 0.0065079500000000 ] - [ 0.0017636900000000, 0.0008066700000000, -0.0007954600000000 ] - [ 0.0003319900000000, -0.0005203300000000, -0.0005030300000000 ] - [ -0.0009569600000000, -0.0001296100000000, 0.0008153700000000 ] - [ -0.0007418100000000, -0.0000917500000000, -0.0000402600000000 ] - [ 0.0019423100000000, 0.0000528600000000, 0.0014517900000000 ] - [ -0.0009581500000000, 0.0001326200000000, 0.0011998700000000 ] - [ 0.0007407000000000, -0.0002669800000000, -0.0005065200000000 ] - [ -0.0001031900000000, -0.0000904000000000, -0.0003600000000000 ] - [ -0.0001610200000000, -0.0000200200000000, -0.0003434100000000 ] - [ 0.0001178500000000, -0.0000620000000000, -0.0002580200000000 ] - [ -0.0008869000000000, -0.0001159500000000, -0.0005804600000000 ] - [ 0.0000479000000000, 0.0001992000000000, -0.0001777200000000 ] - [ -0.0002644200000000, 0.0002030100000000, -0.0000727100000000 ] - [ -0.0005244900000000, 0.0001815800000000, 0.0001057100000000 ] - [ -0.0001843600000000, -0.0001842400000000, -0.0001905600000000 ] - [ -0.0068928900000000, -0.0023089300000000, -0.0043528400000000 ] - [ -0.0018642000000000, 0.0006885300000000, 0.0007172500000000 ] - [ 0.0001305800000000, 0.0000825100000000, -0.0001237400000000 ] - [ 0.0003389700000000, 0.0002326800000000, 0.0000083600000000 ] - [ 0.0000489900000000, -0.0001928900000000, -0.0004322900000000 ] - [ -0.0023984500000000, 0.0009171100000000, 0.0031754200000000 ] - [ -0.0007017500000000, 0.0001825000000000, -0.0000319400000000 ] - [ 0.0011195400000000, 0.0002631700000000, 0.0000661600000000 ] - [ 0.0002189800000000, 0.0001822900000000, 0.0000091900000000 ] - [ -0.0003564500000000, 0.0002454900000000, -0.0000160300000000 ] - [ -0.0003569500000000, 0.0002831400000000, -0.0000100000000000 ] - [ -0.0004112000000000, -0.0001046000000000, -0.0002889100000000 ] - [ -0.0001664400000000, 0.0002778700000000, -0.0000439800000000 ] - [ 0.0003250600000000, -0.0000754000000000, 0.0003597900000000 ] - [ -0.0001841200000000, 0.0001046900000000, -0.0002657200000000 ] - [ 0.0003530700000000, 0.0002035700000000, 0.0000971100000000 ] - [ 0.0004476600000000, -0.0005404000000000, 0.0000737800000000 ] - [ -0.0002473000000000, 0.0000318000000000, -0.0000923700000000 ] - [ 0.0001002400000000, -0.0001918400000000, 0.0000026300000000 ] - [ 0.0001083500000000, -0.0002367200000000, -0.0002401500000000 ] - [ 0.0002067800000000, 0.0002945600000000, 0.0003576400000000 ] - [ -0.0007055800000000, 0.0000069800000000, -0.0002264900000000 ] - [ 0.0000939800000000, 0.0002250200000000, 0.0002942200000000 ] - [ -0.0003093000000000, 0.0002002400000000, -0.0001900100000000 ] - [ -0.0000197900000000, -0.0000438100000000, -0.0001142000000000 ] - [ -0.0001759900000000, -0.0002542000000000, 0.0000462900000000 ] - [ -0.0004793200000000, -0.0001076300000000, 0.0002346600000000 ] - [ -0.0034492400000000, -0.0073919000000000, -0.0018346500000000 ] - [ 0.0004677300000000, -0.0001876800000000, -0.0000543100000000 ] - [ -0.0003045700000000, -0.0001610000000000, -0.0001213800000000 ] - [ -0.0000049400000000, -0.0001032000000000, -0.0000386300000000 ] - [ 0.0000700600000000, -0.0001134500000000, -0.0002934900000000 ] - [ 0.0000825200000000, -0.0002241400000000, -0.0002512000000000 ] - [ 0.0001115500000000, -0.0003821200000000, 0.0005892900000000 ] - [ -0.0002255300000000, -0.0000873400000000, 0.0004018300000000 ] - [ -0.0040841600000000, 0.0033913500000000, -0.0047322000000000 ] - [ 0.0002896700000000, -0.0000155500000000, 0.0001986600000000 ] - [ -0.0010385000000000, -0.0001092900000000, -0.0002340900000000 ] - [ 0.0017907600000000, -0.0013915200000000, 0.0022628200000000 ] - [ -0.0003179300000000, 0.0000309000000000, 0.0000571100000000 ] - [ -0.0001428400000000, -0.0000650600000000, -0.0000371600000000 ] - [ 0.0004960100000000, 0.0001030200000000, 0.0000882200000000 ] - [ -0.0001438700000000, 0.0000221800000000, -0.0001114100000000 ] - [ 0.0002409600000000, -0.0001168100000000, 0.0001263100000000 ] - [ 0.0000300400000000, -0.0003298700000000, 0.0001223300000000 ] - [ 0.0004229500000000, 0.0005258300000000, 0.0004147800000000 ] - [ 0.0003744700000000, -0.0001124600000000, -0.0003011500000000 ] - [ 0.0007498300000000, -0.0001871800000000, 0.0005979100000000 ] - [ -0.0003697000000000, -0.0000407200000000, 0.0001216700000000 ] - [ -0.0006108800000000, -0.0000581300000000, -0.0000303400000000 ] - [ 0.0000662400000000, 0.0004918200000000, 0.0005403100000000 ] - [ -0.0009869100000000, -0.0002165900000000, 0.0000027500000000 ] - [ -0.0007576400000000, 0.0019157000000000, -0.0024993900000000 ] - [ -0.0003000300000000, -0.0005028400000000, 0.0002066400000000 ] - [ -0.0002890200000000, 0.0000783900000000, 0.0001819400000000 ] - [ -0.0001416900000000, 0.0001245100000000, -0.0003246200000000 ] - [ 0.0003259000000000, -0.0000621000000000, -0.0002825100000000 ] - [ 0.0002056000000000, 0.0002299600000000, 0.0000111200000000 ] - [ 0.0000285500000000, 0.0001092000000000, -0.0000635700000000 ] - [ 0.0005449500000000, -0.0001756700000000, -0.0003387200000000 ] - [ -0.0004933900000000, -0.0001059900000000, 0.0001480300000000 ] - [ -0.0001416700000000, -0.0003363400000000, 0.0002916700000000 ] - [ -0.0006320500000000, -0.0002623100000000, 0.0001186300000000 ] - [ 0.0002745700000000, -0.0003698800000000, -0.0000210400000000 ] - [ 0.0012100800000000, -0.0001856600000000, 0.0004078700000000 ] - [ -0.0029909300000000, 0.0002860700000000, -0.0007032500000000 ] - [ -0.0010328000000000, -0.0003123500000000, 0.0006525400000000 ] - [ -0.0012321800000000, 0.0004631200000000, -0.0009931400000000 ] - [ 0.0823414000000000, 0.0072702900000000, 0.0072569200000000 ] - [ -0.0003613000000000, 0.0001993600000000, 0.0001105500000000 ] - [ 0.0004857400000000, 0.0001760900000000, 0.0002777100000000 ] - [ 0.0003403100000000, 0.0001678200000000, -0.0000253200000000 ] - [ -0.0004601900000000, 0.0001141300000000, -0.0004103000000000 ] - [ -0.0003927100000000, 0.0001751000000000, -0.0002468100000000 ] - [ -0.0010144000000000, 0.0001334500000000, -0.0003217600000000 ] - [ 0.0003488000000000, 0.0002370400000000, -0.0001623700000000 ] - [ -0.0005972000000000, 0.0000561000000000, -0.0000349500000000 ] - [ 0.0005048100000000, 0.0001323600000000, -0.0000701700000000 ] - [ 0.0001984900000000, 0.0005051700000000, -0.0003539100000000 ] - [ 0.0000421300000000, -0.0001438000000000, 0.0004436600000000 ] - [ 0.0003355200000000, -0.0004877900000000, 0.0009417400000000 ] - [ -0.0001012200000000, 0.0002639900000000, -0.0003563700000000 ] - [ 0.0004113200000000, 0.0001302600000000, -0.0000152400000000 ] - [ -0.0027977400000000, -0.0001051200000000, -0.0004878900000000 ] - [ -0.0003814600000000, 0.0008159100000000, -0.0001736600000000 ] - [ -0.0002601200000000, -0.0005566600000000, -0.0002115100000000 ] - [ -0.0000942900000000, -0.0001419600000000, 0.0000246000000000 ] - [ -0.0008555600000000, -0.0000049900000000, 0.0000398800000000 ] - [ -0.0005047500000000, -0.0001026100000000, 0.0003620900000000 ] - [ 0.0008175700000000, -0.0001689100000000, -0.0001018400000000 ] - [ 0.0006084900000000, -0.0001391500000000, -0.0001494100000000 ] - [ 0.0014606900000000, 0.0003014400000000, 0.0008423500000000 ] - [ -0.0001285700000000, 0.0002548900000000, 0.0003722000000000 ] - [ 0.0002332000000000, 0.0002054600000000, 0.0002860400000000 ] - [ 0.0003339700000000, 0.0002501200000000, 0.0003326800000000 ] - [ 0.0009863800000000, -0.0009380100000000, 0.0001505700000000 ] - [ 0.0005495400000000, -0.0002694800000000, -0.0004652900000000 ] - [ 0.0006920900000000, 0.0009652100000000, -0.0015465400000000 ] - [ -0.0000572700000000, 0.0001598400000000, -0.0002745900000000 ] - [ -0.0001626600000000, 0.0002045800000000, -0.0003111200000000 ] - [ -0.0001386200000000, 0.0004062500000000, 0.0006262200000000 ] - [ -0.0000517800000000, -0.0001262500000000, -0.0006672500000000 ] - [ 0.0004713400000000, -0.0000049500000000, -0.0003775200000000 ] - [ -0.0029162900000000, 0.0016704900000000, -0.0014464000000000 ] - [ -0.0026140800000000, -0.0035912800000000, 0.0005287300000000 ] - [ 0.0006937400000000, 0.0000382100000000, 0.0002757300000000 ] - [ 0.0001103400000000, 0.0001240900000000, 0.0001196800000000 ] - [ 0.0001571600000000, -0.0000986800000000, 0.0005591100000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007956600000000, 0.0000517000000000, 0.0000713000000000 ] - [ -0.0001196100000000, 0.0002928300000000, -0.0010729300000000 ] - [ -0.0004452100000000, -0.0001209800000000, -0.0002516300000000 ] - [ -0.0000773300000000, -0.0000240500000000, -0.0000122600000000 ] - [ 0.0001379500000000, 0.0000838200000000, -0.0002298300000000 ] - [ 0.0000331400000000, 0.0000710800000000, -0.0001447500000000 ] - [ 0.0000807500000000, 0.0000591200000000, -0.0001372000000000 ] - [ 0.0008344400000000, 0.0079676600000000, 0.0007795700000000 ] - [ -0.0000326200000000, -0.0007705800000000, 0.0000759500000000 ] - [ -0.0000554000000000, -0.0000776000000000, 0.0001917500000000 ] - [ -0.0001222700000000, -0.0000442300000000, 0.0002007700000000 ] - [ -0.0000325500000000, -0.0000337400000000, 0.0001657700000000 ] - [ 0.0003938900000000, -0.0001809200000000, 0.0002827100000000 ] - [ 0.0003552500000000, -0.0001188000000000, 0.0001422700000000 ] - [ -0.0002061700000000, -0.0008728700000000, -0.0001265800000000 ] - [ 0.0003100100000000, -0.0001855000000000, 0.0000819700000000 ] - [ 0.0004794200000000, -0.0003272500000000, 0.0000887000000000 ] - [ 0.0001998700000000, -0.0003123200000000, 0.0001134000000000 ] - [ 0.0006428600000000, -0.0002524000000000, 0.0000736700000000 ] - [ 0.0005849400000000, -0.0006357900000000, -0.0000917400000000 ] - [ -0.0016759200000000, -0.0002636000000000, -0.0002411900000000 ] - [ -0.0002477800000000, -0.0000210200000000, 0.0000176900000000 ] - [ -0.0005258600000000, -0.0000736200000000, 0.0000072800000000 ] - [ -0.0002896400000000, -0.0000307100000000, -0.0002197700000000 ] - [ 0.0001818500000000, -0.0001881500000000, -0.0000199400000000 ] - [ 0.0000992300000000, -0.0001104100000000, 0.0001764000000000 ] - [ 0.0012431700000000, 0.0000293600000000, 0.0000998600000000 ] - [ 0.0003173400000000, -0.0001934400000000, 0.0004054800000000 ] - [ -0.0001719700000000, -0.0001562000000000, -0.0003466400000000 ] - [ -0.0003658600000000, -0.0001905500000000, 0.0001260900000000 ] - [ -0.0001704300000000, -0.0001554000000000, -0.0003485400000000 ] - [ -0.0002550200000000, -0.0002822000000000, -0.0004884400000000 ] - [ -0.0001885800000000, 0.0003032900000000, -0.0002049900000000 ] - [ -0.0001111000000000, 0.0001927400000000, -0.0000866700000000 ] - [ -0.0003998700000000, 0.0004307500000000, 0.0000593800000000 ] - [ -0.0001474200000000, 0.0005059500000000, -0.0000138600000000 ] - [ 0.0019354100000000, 0.0010448500000000, 0.0013273300000000 ] - [ -0.0004001400000000, 0.0001018300000000, 0.0002843900000000 ] - [ 0.0000971700000000, 0.0002012900000000, 0.0000787600000000 ] - [ -0.0000501400000000, 0.0000018100000000, 0.0000873900000000 ] - [ 0.0004050900000000, 0.0001523600000000, 0.0000850700000000 ] - [ 0.0002388200000000, 0.0002743100000000, 0.0002133500000000 ] - [ 0.0002151800000000, 0.0002047700000000, -0.0000288500000000 ] - [ 0.0000420700000000, 0.0002308300000000, 0.0000440200000000 ] - [ -0.0001400400000000, 0.0002520800000000, -0.0000357900000000 ] - [ -0.0000168900000000, 0.0002605600000000, -0.0000232000000000 ] - [ -0.0003427800000000, 0.0004117800000000, -0.0000020500000000 ] - [ -0.0000538200000000, 0.0004787200000000, 0.0000899000000000 ] - [ 0.0000439500000000, 0.0001297100000000, -0.0000205000000000 ] - [ 0.0004450300000000, 0.0001254300000000, -0.0005194800000000 ] - [ 0.0000958700000000, 0.0001549800000000, 0.0000094800000000 ] - [ -0.0000321300000000, 0.0002814500000000, 0.0001505700000000 ] - [ 0.0005389900000000, 0.0005738100000000, -0.0000579000000000 ] - [ 0.0000983700000000, -0.0001223000000000, -0.0001222800000000 ] - [ 0.0001189200000000, -0.0001448000000000, -0.0001157500000000 ] - [ 0.0001286800000000, -0.0001488700000000, -0.0000855900000000 ] - [ -0.0000548000000000, 0.0002345100000000, 0.0000251100000000 ] - [ -0.0000816200000000, 0.0002238000000000, 0.0000594600000000 ] - [ 0.0001986300000000, 0.0002161700000000, -0.0003528300000000 ] - [ -0.0001146900000000, 0.0001933500000000, 0.0000161000000000 ] - [ -0.0001531900000000, -0.0002668600000000, 0.0000594100000000 ] - [ -0.0001091600000000, -0.0002178600000000, 0.0001095600000000 ] - [ -0.0001567200000000, -0.0003000500000000, 0.0000309500000000 ] - [ 0.0058116100000000, -0.0006810600000000, 0.0003382000000000 ] - [ -0.0007803000000000, 0.0006028100000000, -0.0001561800000000 ] - [ 0.0000305500000000, -0.0000547200000000, -0.0001794900000000 ] - [ 0.0000275900000000, -0.0000548200000000, -0.0001159800000000 ] - [ -0.0000224900000000, -0.0000920600000000, -0.0001581300000000 ] - [ -0.0000549800000000, -0.0001485500000000, 0.0001575800000000 ] - [ -0.0000119700000000, -0.0000667600000000, 0.0001157200000000 ] - [ -0.0000250200000000, -0.0001304800000000, 0.0000780500000000 ] - [ -0.0022459600000000, -0.0019140500000000, 0.0007301200000000 ] - [ 0.0000238200000000, -0.0000736200000000, 0.0000300600000000 ] - [ -0.0000422700000000, -0.0000210500000000, -0.0001279100000000 ] - [ 0.0002277000000000, 0.0005072800000000, -0.0015087000000000 ] - [ -0.0000740500000000, -0.0000262600000000, -0.0000035100000000 ] - [ 0.0000195200000000, 0.0000042900000000, -0.0000148400000000 ] - [ 0.0011194800000000, 0.0006240900000000, -0.0004629200000000 ] - [ 0.0000283100000000, -0.0000084400000000, 0.0000244900000000 ] - [ 0.0000538200000000, 0.0000717600000000, 0.0000810900000000 ] - [ 0.0005315800000000, 0.0000162600000000, -0.0001006900000000 ] - [ -0.0003581100000000, -0.0001507000000000, 0.0004150500000000 ] - [ 0.0004384700000000, -0.0000520300000000, -0.0000590500000000 ] - [ 0.0004294200000000, -0.0000629100000000, -0.0001802500000000 ] - [ -0.0004909700000000, -0.0000596200000000, 0.0000013200000000 ] - [ -0.0004804900000000, -0.0000603700000000, 0.0000973000000000 ] - [ -0.0003197600000000, 0.0010543900000000, 0.0007716800000000 ] - [ -0.0002939700000000, 0.0000073700000000, 0.0001128300000000 ] - [ -0.0011218500000000, -0.0006898700000000, -0.0003695500000000 ] - [ -0.0001711100000000, -0.0000921200000000, 0.0001504900000000 ] - [ -0.0002157200000000, 0.0000188200000000, 0.0001782700000000 ] - [ 0.0000503600000000, 0.0000553500000000, 0.0004235900000000 ] - [ 0.0001884800000000, 0.0001682300000000, -0.0001276700000000 ] - [ 0.0002415700000000, 0.0001018000000000, -0.0001272800000000 ] - [ 0.0001876300000000, 0.0001903200000000, -0.0001080200000000 ] - [ -0.0003517500000000, 0.0004079000000000, -0.0004894200000000 ] - [ -0.0002786000000000, -0.0001631100000000, 0.0001259300000000 ] - [ -0.0000278500000000, -0.0001463500000000, -0.0000289000000000 ] - [ -0.0003212800000000, -0.0002189900000000, 0.0001542700000000 ] - [ -0.0001961700000000, -0.0000704600000000, 0.0002445700000000 ] - [ 0.0005471400000000, -0.0002137600000000, -0.0000796400000000 ] - [ 0.0004122500000000, -0.0002137700000000, 0.0001495800000000 ] - [ 0.0007867900000000, -0.0000658000000000, -0.0006300300000000 ] - [ 0.0002592300000000, -0.0001087000000000, -0.0003661100000000 ] - [ -0.0065883300000000, -0.0277079900000000, 0.0052282900000000 ] - [ 0.0003752200000000, 0.0000516300000000, 0.0002421000000000 ] - [ 0.0003950700000000, 0.0001575000000000, 0.0002839900000000 ] - [ 0.0004030600000000, -0.0000256400000000, 0.0005157600000000 ] - [ -0.0004576900000000, 0.0002070600000000, -0.0002825300000000 ] - [ -0.0003963900000000, 0.0001782200000000, -0.0002925200000000 ] - [ -0.0004369600000000, 0.0002000000000000, -0.0003122800000000 ] - [ -0.0003337800000000, 0.0014025500000000, 0.0002885900000000 ] - [ 0.0000402200000000, -0.0003922700000000, -0.0000810600000000 ] - [ -0.0000392200000000, -0.0000035000000000, 0.0000634100000000 ] - [ -0.0000525200000000, -0.0001435800000000, 0.0000543200000000 ] - [ 0.0000960400000000, 0.0000246300000000, 0.0001021000000000 ] - [ 0.0000112000000000, 0.0003610400000000, -0.0000200000000000 ] - [ -0.0001532200000000, 0.0002577100000000, 0.0000376600000000 ] - [ -0.0000506000000000, 0.0001909400000000, 0.0000209600000000 ] - [ 0.0002407100000000, 0.0015490500000000, 0.0010317900000000 ] - [ -0.0002952400000000, -0.0004591600000000, 0.0000860800000000 ] - [ -0.0004063900000000, -0.0004790000000000, -0.0000906800000000 ] - [ -0.0003583500000000, -0.0001568500000000, -0.0000191200000000 ] - [ -0.0003956700000000, -0.0002025300000000, 0.0001131800000000 ] - [ 0.0004789900000000, 0.0000317600000000, 0.0001818300000000 ] - [ 0.0003880100000000, -0.0000163700000000, -0.0000049500000000 ] - [ 0.0005439600000000, 0.0002016400000000, -0.0000094700000000 ] - [ 0.0001362400000000, 0.0003333300000000, -0.0002755800000000 ] - [ 0.0001291400000000, 0.0001257100000000, 0.0003539800000000 ] - [ 0.0000695500000000, 0.0001631300000000, 0.0003051900000000 ] - [ -0.0000339500000000, 0.0000846400000000, 0.0003405200000000 ] - [ 0.0003185700000000, 0.0000843000000000, 0.0004505100000000 ] - [ 0.0001124200000000, 0.0003866400000000, -0.0002763200000000 ] - [ -0.0006033800000000, 0.0003229200000000, 0.0000753000000000 ] - [ -0.0000762300000000, 0.0002488000000000, -0.0003889300000000 ] - [ -0.0001133000000000, 0.0002034800000000, -0.0004771500000000 ] - [ -0.0000904700000000, -0.0000746600000000, -0.0004643100000000 ] - [ -0.0001573200000000, -0.0000291200000000, -0.0003105900000000 ] - [ -0.0001260400000000, -0.0000390900000000, -0.0002414100000000 ] - [ -0.0004300900000000, 0.0036586700000000, -0.0023059400000000 ] - [ 0.0016408300000000, 0.0120161400000000, -0.0041013800000000 ] - [ 0.0001009500000000, 0.0000821900000000, 0.0003122300000000 ] - [ 0.0001374300000000, 0.0000527400000000, 0.0002228200000000 ] - [ 0.0000929800000000, 0.0000494600000000, 0.0002280300000000 ]- atom: 105 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000123800000000, -0.0002450100000000, -0.0003674200000000 ] - [ -0.0006716300000000, -0.0004566000000000, 0.0008041000000000 ] - [ -0.0003426000000000, -0.0000699300000000, -0.0000544900000000 ] - [ -0.0007012600000000, -0.0001670000000000, -0.0002885200000000 ] - [ 0.0000229100000000, -0.0000716700000000, -0.0001402600000000 ] - [ 0.0001304100000000, -0.0000595200000000, -0.0002274500000000 ] - [ 0.0000753700000000, -0.0000454800000000, -0.0002320800000000 ] - [ -0.0004889300000000, -0.0079355000000000, -0.0011745300000000 ] - [ -0.0001324500000000, 0.0007830800000000, 0.0002978600000000 ] - [ -0.0001073400000000, 0.0000878200000000, 0.0001812100000000 ] - [ -0.0000398900000000, 0.0000547300000000, 0.0001722200000000 ] - [ -0.0001276500000000, 0.0000432900000000, 0.0002038700000000 ] - [ 0.0003907300000000, -0.0000090800000000, 0.0000154500000000 ] - [ 0.0004262700000000, -0.0000717900000000, 0.0001568900000000 ] - [ 0.0010029600000000, 0.0006748800000000, 0.0004259800000000 ] - [ 0.0004749500000000, -0.0000022300000000, 0.0002168700000000 ] - [ 0.0001759500000000, -0.0001057800000000, 0.0000525600000000 ] - [ 0.0004547100000000, -0.0001210700000000, 0.0000280500000000 ] - [ 0.0000139700000000, -0.0001804300000000, 0.0000679200000000 ] - [ 0.0000728000000000, 0.0001955600000000, 0.0002338100000000 ] - [ 0.0009846400000000, -0.0001822200000000, 0.0000022400000000 ] - [ -0.0004233400000000, -0.0004217300000000, -0.0001506700000000 ] - [ -0.0001328800000000, -0.0003620900000000, -0.0001498600000000 ] - [ -0.0003650800000000, -0.0004062800000000, 0.0000716000000000 ] - [ 0.0002359400000000, -0.0001148100000000, 0.0006840600000000 ] - [ 0.0003053700000000, -0.0001887300000000, 0.0004802500000000 ] - [ -0.0008376900000000, -0.0003245300000000, 0.0005509000000000 ] - [ 0.0000927000000000, -0.0001094300000000, 0.0002600600000000 ] - [ -0.0002402300000000, -0.0001462100000000, -0.0003182200000000 ] - [ -0.0000442800000000, -0.0001163200000000, -0.0007917800000000 ] - [ -0.0002427000000000, -0.0001485700000000, -0.0003140800000000 ] - [ -0.0001560700000000, -0.0000227900000000, -0.0001742600000000 ] - [ -0.0000441700000000, 0.0000721300000000, 0.0000484900000000 ] - [ -0.0001189700000000, 0.0001842700000000, -0.0000710300000000 ] - [ 0.0001677000000000, -0.0000560000000000, -0.0002184100000000 ] - [ -0.0000856000000000, -0.0001267000000000, -0.0001441500000000 ] - [ -0.0016712900000000, -0.0006594400000000, -0.0011516200000000 ] - [ 0.0006448400000000, 0.0002705600000000, -0.0001321800000000 ] - [ 0.0001340900000000, 0.0001766100000000, 0.0000806400000000 ] - [ 0.0002809900000000, 0.0003763300000000, 0.0000738800000000 ] - [ -0.0002141900000000, 0.0003009100000000, -0.0000492600000000 ] - [ -0.0000353900000000, 0.0001682200000000, -0.0002099100000000 ] - [ -0.0000201400000000, 0.0002441000000000, 0.0000557300000000 ] - [ 0.0001461400000000, 0.0002185800000000, -0.0000178200000000 ] - [ -0.0000525100000000, 0.0001961800000000, 0.0000117900000000 ] - [ -0.0001719500000000, 0.0001874600000000, -0.0000009000000000 ] - [ 0.0001506900000000, 0.0000355600000000, -0.0000252200000000 ] - [ -0.0001358800000000, -0.0000286500000000, -0.0001141400000000 ] - [ 0.0001253700000000, 0.0002050000000000, -0.0000043400000000 ] - [ -0.0002768600000000, 0.0002151200000000, 0.0004921400000000 ] - [ 0.0000749000000000, 0.0001828400000000, -0.0000341800000000 ] - [ 0.0002010800000000, 0.0000586300000000, -0.0001743500000000 ] - [ -0.0002952000000000, -0.0009667200000000, -0.0001182000000000 ] - [ 0.0001458900000000, -0.0002728000000000, -0.0000516800000000 ] - [ 0.0001238600000000, -0.0002501100000000, -0.0000573000000000 ] - [ 0.0001143200000000, -0.0002460400000000, -0.0000858300000000 ] - [ -0.0001165500000000, 0.0001019000000000, -0.0000005600000000 ] - [ -0.0000881600000000, 0.0001187400000000, -0.0000270600000000 ] - [ -0.0003668900000000, 0.0001197900000000, 0.0003763800000000 ] - [ -0.0000544900000000, 0.0001431000000000, 0.0000105800000000 ] - [ -0.0000894400000000, -0.0001279800000000, 0.0001129500000000 ] - [ -0.0001335500000000, -0.0001768800000000, 0.0000634300000000 ] - [ -0.0000855100000000, -0.0000956500000000, 0.0001401500000000 ] - [ -0.0060819000000000, 0.0002944100000000, -0.0001770500000000 ] - [ 0.0007960700000000, -0.0008252000000000, -0.0001420200000000 ] - [ -0.0000197100000000, -0.0001645800000000, -0.0001172000000000 ] - [ -0.0000180500000000, -0.0001649600000000, -0.0001796600000000 ] - [ 0.0000318700000000, -0.0001274000000000, -0.0001367100000000 ] - [ 0.0000459000000000, -0.0000712500000000, 0.0001387000000000 ] - [ 0.0000011700000000, -0.0001532700000000, 0.0001779400000000 ] - [ 0.0000163500000000, -0.0000897000000000, 0.0002159000000000 ] - [ 0.0022557900000000, 0.0016787500000000, -0.0004202000000000 ] - [ -0.0000921300000000, 0.0000287400000000, -0.0000580200000000 ] - [ -0.0000192400000000, -0.0000253500000000, 0.0001052000000000 ] - [ -0.0003013800000000, -0.0005635500000000, 0.0015110800000000 ] - [ 0.0000082300000000, -0.0000188000000000, -0.0000233300000000 ] - [ 0.0000492200000000, -0.0000477500000000, 0.0000422600000000 ] - [ -0.0010617000000000, -0.0006705100000000, 0.0004909600000000 ] - [ 0.0000405300000000, -0.0000357000000000, 0.0000036700000000 ] - [ 0.0000141900000000, -0.0001140400000000, -0.0000521700000000 ] - [ 0.0004201900000000, -0.0001392700000000, -0.0000380700000000 ] - [ 0.0012985500000000, 0.0000242400000000, -0.0005478600000000 ] - [ 0.0005122700000000, -0.0000741700000000, -0.0000760400000000 ] - [ 0.0005202700000000, -0.0000623800000000, 0.0000430700000000 ] - [ -0.0004593600000000, -0.0000655400000000, 0.0001352200000000 ] - [ -0.0004694100000000, -0.0000640500000000, 0.0000395900000000 ] - [ -0.0006349800000000, -0.0011830400000000, -0.0006383500000000 ] - [ -0.0006546300000000, -0.0001327900000000, 0.0000232400000000 ] - [ 0.0006625700000000, 0.0008435700000000, 0.0006335800000000 ] - [ -0.0002721900000000, 0.0002556800000000, 0.0001331600000000 ] - [ -0.0002283100000000, 0.0001403900000000, 0.0001082600000000 ] - [ -0.0004942400000000, 0.0001038000000000, -0.0001345800000000 ] - [ 0.0002552900000000, -0.0000071500000000, -0.0001552900000000 ] - [ 0.0002018900000000, 0.0000586200000000, -0.0001562900000000 ] - [ 0.0002563300000000, -0.0000303800000000, -0.0001762400000000 ] - [ 0.0007889900000000, -0.0002433300000000, 0.0002042100000000 ] - [ -0.0002476900000000, -0.0002276900000000, 0.0001420000000000 ] - [ -0.0004977300000000, -0.0002454100000000, 0.0002975600000000 ] - [ -0.0002022300000000, -0.0001739300000000, 0.0001141900000000 ] - [ -0.0003286800000000, -0.0003195500000000, 0.0000250900000000 ] - [ -0.0000275800000000, -0.0001791300000000, -0.0001863000000000 ] - [ 0.0001382200000000, -0.0001853400000000, -0.0004217600000000 ] - [ -0.0002615200000000, -0.0003312000000000, 0.0003648800000000 ] - [ 0.0002729200000000, -0.0002885100000000, 0.0001029800000000 ] - [ 0.0073763300000000, 0.0283035100000000, -0.0046578600000000 ] - [ 0.0004413600000000, 0.0002811100000000, 0.0003367800000000 ] - [ 0.0004150100000000, 0.0001749800000000, 0.0002960900000000 ] - [ 0.0004061100000000, 0.0003583700000000, 0.0000639200000000 ] - [ -0.0003516400000000, 0.0001258200000000, -0.0002953800000000 ] - [ -0.0004139300000000, 0.0001541800000000, -0.0002862300000000 ] - [ -0.0003710000000000, 0.0001324700000000, -0.0002667400000000 ] - [ -0.0004787200000000, -0.0010685500000000, -0.0008647800000000 ] - [ 0.0000049300000000, 0.0006276400000000, 0.0001020900000000 ] - [ 0.0000803400000000, 0.0002337500000000, -0.0000397800000000 ] - [ 0.0000968400000000, 0.0003755500000000, -0.0000318300000000 ] - [ -0.0000513700000000, 0.0002093600000000, -0.0000809200000000 ] - [ -0.0000523600000000, -0.0001215500000000, -0.0000029900000000 ] - [ 0.0001090100000000, -0.0000262600000000, -0.0000583500000000 ] - [ 0.0000056400000000, 0.0000413600000000, -0.0000431700000000 ] - [ -0.0002907200000000, -0.0013191800000000, -0.0010841900000000 ] - [ -0.0004600700000000, 0.0002281700000000, -0.0001166600000000 ] - [ -0.0003494100000000, 0.0002555500000000, 0.0000578900000000 ] - [ -0.0003987300000000, -0.0000685600000000, -0.0000137600000000 ] - [ -0.0003601100000000, -0.0000244300000000, -0.0001454400000000 ] - [ 0.0002767100000000, -0.0002574200000000, -0.0001477200000000 ] - [ 0.0003663000000000, -0.0002075400000000, 0.0000374400000000 ] - [ 0.0002177900000000, -0.0004277600000000, 0.0000428800000000 ] - [ 0.0006133700000000, -0.0005635600000000, 0.0003034500000000 ] - [ 0.0000530900000000, 0.0002673800000000, 0.0004056500000000 ] - [ 0.0001098200000000, 0.0002298900000000, 0.0004524300000000 ] - [ 0.0002188300000000, 0.0003097900000000, 0.0004236600000000 ] - [ -0.0001407800000000, 0.0003162900000000, 0.0003131700000000 ] - [ -0.0002918200000000, 0.0000053500000000, -0.0004832200000000 ] - [ 0.0004195300000000, 0.0000656900000000, -0.0008315200000000 ] - [ -0.0001052300000000, 0.0001442700000000, -0.0003727700000000 ] - [ -0.0000686500000000, 0.0001897300000000, -0.0002860700000000 ] - [ -0.0001455400000000, 0.0001108400000000, -0.0000920800000000 ] - [ -0.0000806400000000, 0.0000681300000000, -0.0002388300000000 ] - [ -0.0001135700000000, 0.0000770600000000, -0.0003080700000000 ] - [ 0.0001493800000000, -0.0033402900000000, 0.0016137400000000 ] - [ -0.0014772300000000, -0.0125176400000000, 0.0048966100000000 ] - [ 0.0001350300000000, -0.0000443200000000, 0.0002385600000000 ] - [ 0.0001009400000000, -0.0000147100000000, 0.0003265300000000 ] - [ 0.0001445700000000, -0.0000113100000000, 0.0003215800000000 ]- atom: 105 displacement: [ -0.0045549923526468, 0.0000000000000000, 0.0089023617466001 ] forces: - [ 0.0004226900000000, -0.0002077100000000, -0.0003878100000000 ] - [ 0.0002879300000000, -0.0024274600000000, -0.0036257600000000 ] - [ -0.0001485900000000, 0.0000386600000000, 0.0001048000000000 ] - [ -0.0009893300000000, -0.0002729300000000, -0.0007391400000000 ] - [ -0.0000913600000000, -0.0000306300000000, -0.0001504000000000 ] - [ 0.0000077900000000, -0.0000244600000000, -0.0003385800000000 ] - [ 0.0002541300000000, 0.0000851400000000, -0.0001740800000000 ] - [ -0.0304741400000000, 0.0010679200000000, 0.0073738800000000 ] - [ -0.0005016000000000, 0.0002337000000000, 0.0002769100000000 ] - [ 0.0001050300000000, -0.0001059500000000, 0.0002828000000000 ] - [ -0.0000649500000000, 0.0000147000000000, 0.0001305000000000 ] - [ -0.0001122000000000, 0.0000453400000000, 0.0001652000000000 ] - [ 0.0002174300000000, -0.0000355900000000, -0.0001129900000000 ] - [ 0.0005299400000000, -0.0001001500000000, 0.0001222100000000 ] - [ 0.0001610800000000, -0.0004153200000000, 0.0000220800000000 ] - [ 0.0004374500000000, -0.0000969900000000, 0.0003131800000000 ] - [ 0.0001672500000000, -0.0001758200000000, 0.0000783200000000 ] - [ 0.0004634700000000, -0.0002372000000000, -0.0001272300000000 ] - [ 0.0006305800000000, -0.0001753900000000, 0.0001056200000000 ] - [ 0.0002098100000000, 0.0002670500000000, 0.0003608800000000 ] - [ 0.0010907100000000, 0.0014024200000000, 0.0062487600000000 ] - [ 0.0005383800000000, 0.0004215200000000, -0.0009455800000000 ] - [ 0.0001805900000000, -0.0006080900000000, -0.0004418300000000 ] - [ -0.0004979400000000, -0.0000092200000000, 0.0000778500000000 ] - [ -0.0001473100000000, -0.0002175600000000, -0.0000396400000000 ] - [ 0.0011995800000000, -0.0001640200000000, 0.0007599600000000 ] - [ -0.0019316900000000, -0.0003773600000000, 0.0005830000000000 ] - [ 0.0000391500000000, -0.0001800600000000, 0.0001761900000000 ] - [ -0.0002486800000000, -0.0000951100000000, -0.0003721600000000 ] - [ -0.0001166900000000, 0.0002938700000000, -0.0005156400000000 ] - [ -0.0001007500000000, -0.0001531100000000, -0.0002814800000000 ] - [ -0.0002649600000000, -0.0003169200000000, -0.0003863700000000 ] - [ -0.0000124000000000, 0.0001317800000000, 0.0000217700000000 ] - [ -0.0002098100000000, 0.0001721400000000, -0.0000082500000000 ] - [ -0.0002953900000000, 0.0002159700000000, -0.0000881600000000 ] - [ -0.0001235400000000, 0.0001552600000000, -0.0001532000000000 ] - [ -0.0005734400000000, -0.0000118700000000, -0.0003731600000000 ] - [ -0.0006771600000000, 0.0005287600000000, 0.0004068900000000 ] - [ 0.0001013000000000, 0.0001876700000000, 0.0001101600000000 ] - [ 0.0003435200000000, 0.0000963200000000, 0.0001805000000000 ] - [ 0.0007064800000000, 0.0000821000000000, -0.0007331400000000 ] - [ -0.0015584900000000, 0.0006141100000000, 0.0022081800000000 ] - [ -0.0003489900000000, 0.0002932000000000, 0.0002197500000000 ] - [ 0.0004296400000000, 0.0002373700000000, 0.0001304400000000 ] - [ 0.0000844500000000, 0.0001810000000000, 0.0001009600000000 ] - [ -0.0002211300000000, 0.0001998800000000, 0.0000940900000000 ] - [ -0.0003111000000000, 0.0003475500000000, -0.0001068800000000 ] - [ -0.0001064500000000, 0.0002296900000000, -0.0001699100000000 ] - [ 0.0000387100000000, 0.0001663200000000, 0.0000018100000000 ] - [ 0.0000141300000000, -0.0002979900000000, 0.0004397500000000 ] - [ 0.0000443300000000, 0.0001823000000000, -0.0001103800000000 ] - [ -0.0001247500000000, 0.0003879100000000, 0.0001992300000000 ] - [ 0.0002322700000000, -0.0004270800000000, -0.0001092000000000 ] - [ -0.0000105500000000, -0.0000610700000000, -0.0002051300000000 ] - [ 0.0001058600000000, -0.0002217600000000, 0.0000357400000000 ] - [ 0.0001453400000000, -0.0002662900000000, -0.0000515900000000 ] - [ 0.0000698900000000, 0.0002175700000000, 0.0002059600000000 ] - [ -0.0002086000000000, -0.0000229600000000, -0.0001611200000000 ] - [ -0.0000008200000000, 0.0002012400000000, 0.0002697600000000 ] - [ -0.0001185300000000, 0.0001539700000000, -0.0000586900000000 ] - [ -0.0000258500000000, -0.0000708900000000, 0.0001187900000000 ] - [ -0.0001705600000000, -0.0002263800000000, 0.0001476300000000 ] - [ -0.0002579500000000, -0.0002432700000000, 0.0000459000000000 ] - [ 0.0010664500000000, -0.0026474800000000, -0.0018793900000000 ] - [ 0.0005258900000000, -0.0003356400000000, -0.0001593500000000 ] - [ -0.0001054700000000, -0.0001132300000000, -0.0001841600000000 ] - [ -0.0000321600000000, -0.0001134200000000, -0.0000396500000000 ] - [ 0.0000105500000000, -0.0000961300000000, -0.0001421800000000 ] - [ 0.0000869900000000, -0.0003046000000000, 0.0002081100000000 ] - [ -0.0001074800000000, -0.0002798800000000, 0.0003648600000000 ] - [ -0.0000412800000000, -0.0000938400000000, 0.0001874100000000 ] - [ 0.0037046000000000, 0.0010990900000000, -0.0031316000000000 ] - [ 0.0001211400000000, 0.0000200500000000, 0.0000985100000000 ] - [ -0.0002739000000000, -0.0000178200000000, -0.0000684700000000 ] - [ -0.0009033400000000, -0.0025797300000000, 0.0053207700000000 ] - [ -0.0000587900000000, -0.0000053000000000, -0.0000971300000000 ] - [ 0.0000054400000000, -0.0000460000000000, 0.0000046700000000 ] - [ -0.0001103500000000, -0.0001635200000000, 0.0001131700000000 ] - [ 0.0000103800000000, -0.0000011700000000, -0.0000219000000000 ] - [ 0.0000850700000000, -0.0000355500000000, 0.0000861400000000 ] - [ 0.0003535300000000, -0.0000928200000000, -0.0001094100000000 ] - [ 0.0002047400000000, 0.0003974200000000, 0.0000616200000000 ] - [ 0.0004686900000000, -0.0000830200000000, -0.0001240700000000 ] - [ 0.0005911200000000, -0.0001519900000000, 0.0002897400000000 ] - [ -0.0004549300000000, -0.0000346100000000, 0.0001839000000000 ] - [ -0.0005211600000000, -0.0000527600000000, 0.0000906300000000 ] - [ -0.0003253600000000, 0.0006814600000000, 0.0004593800000000 ] - [ -0.0005797900000000, -0.0001136900000000, -0.0000177600000000 ] - [ 0.0009844900000000, 0.0003834100000000, 0.0004439400000000 ] - [ -0.0002335100000000, -0.0002926200000000, 0.0001892200000000 ] - [ -0.0002726000000000, 0.0001231900000000, 0.0001206700000000 ] - [ 0.0002221900000000, -0.0000273600000000, 0.0003928400000000 ] - [ 0.0002565700000000, 0.0000669400000000, -0.0001326300000000 ] - [ 0.0001983000000000, 0.0001461200000000, -0.0000564400000000 ] - [ 0.0001469900000000, 0.0000615500000000, -0.0001373400000000 ] - [ 0.0004650000000000, -0.0002161400000000, -0.0002017200000000 ] - [ -0.0003072500000000, -0.0002245800000000, 0.0001303300000000 ] - [ -0.0004036800000000, -0.0003454100000000, 0.0002548400000000 ] - [ -0.0003789500000000, -0.0002172300000000, 0.0001351400000000 ] - [ -0.0000800100000000, 0.0001305800000000, 0.0002238400000000 ] - [ 0.0011429200000000, -0.0001100700000000, -0.0000203800000000 ] - [ -0.0015598700000000, 0.0002667100000000, 0.0004271300000000 ] - [ -0.0011676200000000, -0.0004061400000000, 0.0009792900000000 ] - [ 0.0001998300000000, -0.0003449600000000, 0.0001613600000000 ] - [ 0.0309314400000000, 0.0077966100000000, -0.0219293900000000 ] - [ 0.0002126400000000, 0.0001398600000000, 0.0000790300000000 ] - [ 0.0004513300000000, 0.0001653300000000, 0.0003735900000000 ] - [ 0.0006557300000000, 0.0003675900000000, 0.0000914200000000 ] - [ -0.0003207800000000, 0.0001361200000000, -0.0002880600000000 ] - [ -0.0004358800000000, 0.0001728500000000, -0.0002269500000000 ] - [ -0.0006532400000000, 0.0001711400000000, -0.0003445600000000 ] - [ -0.0001736900000000, -0.0003162100000000, -0.0006266800000000 ] - [ -0.0002554800000000, 0.0000408800000000, -0.0000186900000000 ] - [ 0.0001943500000000, 0.0000988600000000, 0.0000166000000000 ] - [ 0.0001709000000000, 0.0004546800000000, -0.0002559800000000 ] - [ 0.0000018000000000, 0.0001404600000000, 0.0000813500000000 ] - [ -0.0000470500000000, -0.0001057500000000, -0.0000891600000000 ] - [ 0.0000519800000000, 0.0001452500000000, -0.0003546400000000 ] - [ 0.0001072500000000, 0.0001309000000000, 0.0000886700000000 ] - [ -0.0006776800000000, 0.0007078400000000, 0.0040747100000000 ] - [ -0.0004110200000000, 0.0000564800000000, -0.0000248800000000 ] - [ -0.0002393100000000, -0.0003463800000000, -0.0000667500000000 ] - [ -0.0002851600000000, -0.0000901300000000, -0.0000426100000000 ] - [ -0.0005907700000000, -0.0000932100000000, -0.0001182000000000 ] - [ 0.0000405300000000, -0.0001443100000000, -0.0003056000000000 ] - [ 0.0005480000000000, -0.0001262700000000, -0.0001452400000000 ] - [ 0.0006149900000000, -0.0000973700000000, 0.0001750200000000 ] - [ 0.0004773900000000, -0.0002052200000000, 0.0003017600000000 ] - [ -0.0000062300000000, 0.0002804600000000, 0.0002437300000000 ] - [ 0.0000755300000000, 0.0002523200000000, 0.0002509300000000 ] - [ 0.0003073900000000, 0.0001968100000000, 0.0006590000000000 ] - [ 0.0002477600000000, -0.0000084700000000, 0.0007580100000000 ] - [ -0.0000003600000000, 0.0001686600000000, -0.0001710300000000 ] - [ 0.0002448600000000, 0.0007744800000000, -0.0004619400000000 ] - [ -0.0000918900000000, 0.0001146600000000, -0.0003893700000000 ] - [ -0.0001087400000000, 0.0001055000000000, -0.0005267100000000 ] - [ -0.0001432300000000, 0.0001776700000000, -0.0001131100000000 ] - [ -0.0000319300000000, -0.0000432900000000, -0.0005336200000000 ] - [ 0.0000501900000000, -0.0000183000000000, -0.0002138600000000 ] - [ -0.0012095200000000, -0.0004611400000000, 0.0011688600000000 ] - [ -0.0014524000000000, -0.0051350800000000, 0.0025940100000000 ] - [ 0.0003393200000000, 0.0000967000000000, 0.0003229300000000 ] - [ 0.0002100300000000, 0.0000374200000000, 0.0001071000000000 ] - [ 0.0000543300000000, -0.0001440600000000, 0.0003044300000000 ]- atom: 105 displacement: [ 0.0045549923526468, 0.0000000000000000, -0.0089023617466001 ] forces: - [ -0.0012002300000000, 0.0000040700000000, 0.0000513200000000 ] - [ -0.0010705300000000, 0.0022306200000000, 0.0032999900000000 ] - [ -0.0006379600000000, -0.0002279700000000, -0.0004022100000000 ] - [ 0.0001996000000000, 0.0000828000000000, 0.0004401600000000 ] - [ 0.0002545000000000, 0.0000431200000000, -0.0002187100000000 ] - [ 0.0001561600000000, 0.0000372400000000, -0.0000317000000000 ] - [ -0.0000898300000000, -0.0000714000000000, -0.0001924300000000 ] - [ 0.0302704800000000, -0.0011133000000000, -0.0079220900000000 ] - [ 0.0003356200000000, -0.0002187600000000, 0.0000923900000000 ] - [ -0.0002661300000000, 0.0001168100000000, 0.0000878100000000 ] - [ -0.0000957500000000, -0.0000021800000000, 0.0002383500000000 ] - [ -0.0000490600000000, -0.0000324900000000, 0.0002050300000000 ] - [ 0.0005655300000000, -0.0001518900000000, 0.0004119100000000 ] - [ 0.0002552500000000, -0.0000902000000000, 0.0001776100000000 ] - [ 0.0006262500000000, 0.0002248500000000, 0.0002696300000000 ] - [ 0.0003489200000000, -0.0000932500000000, -0.0000141900000000 ] - [ 0.0004861000000000, -0.0002579300000000, 0.0000638600000000 ] - [ 0.0001911700000000, -0.0001986400000000, 0.0002660500000000 ] - [ 0.0000222500000000, -0.0002603300000000, 0.0000343200000000 ] - [ 0.0004439900000000, -0.0006978100000000, -0.0002205900000000 ] - [ -0.0016069800000000, -0.0018282500000000, -0.0063690200000000 ] - [ -0.0011951200000000, -0.0008617600000000, 0.0008027200000000 ] - [ -0.0008383900000000, 0.0001735500000000, 0.0003040700000000 ] - [ -0.0001565100000000, -0.0004351500000000, -0.0002188400000000 ] - [ 0.0005566500000000, -0.0000866300000000, 0.0006960700000000 ] - [ -0.0007703500000000, -0.0001306900000000, -0.0000909700000000 ] - [ 0.0023766700000000, 0.0001145500000000, 0.0000248700000000 ] - [ 0.0003747300000000, -0.0001225300000000, 0.0004805100000000 ] - [ -0.0001626300000000, -0.0002081100000000, -0.0002873100000000 ] - [ -0.0002962400000000, -0.0005909000000000, -0.0001437700000000 ] - [ -0.0003117400000000, -0.0001498300000000, -0.0003780700000000 ] - [ -0.0001498300000000, 0.0000142900000000, -0.0002714200000000 ] - [ -0.0002184800000000, 0.0002448100000000, -0.0001799200000000 ] - [ -0.0000227800000000, 0.0002047800000000, -0.0001491000000000 ] - [ 0.0000638800000000, 0.0001618400000000, -0.0000677000000000 ] - [ -0.0001092000000000, 0.0002199000000000, -0.0000036500000000 ] - [ 0.0007364900000000, 0.0003636700000000, 0.0004910200000000 ] - [ 0.0009065900000000, -0.0001541900000000, -0.0002466100000000 ] - [ 0.0001305000000000, 0.0001888500000000, 0.0000446300000000 ] - [ -0.0001061400000000, 0.0002797900000000, -0.0000230900000000 ] - [ -0.0005078400000000, 0.0003791500000000, 0.0007913900000000 ] - [ 0.0017582800000000, -0.0001660600000000, -0.0021770800000000 ] - [ 0.0005444700000000, 0.0001546100000000, -0.0001969600000000 ] - [ -0.0002393200000000, 0.0002106100000000, -0.0001050800000000 ] - [ -0.0002737500000000, 0.0002674400000000, -0.0001264000000000 ] - [ 0.0000280800000000, 0.0002486600000000, -0.0001193100000000 ] - [ 0.0001207000000000, 0.0001000900000000, 0.0000830100000000 ] - [ -0.0000869300000000, 0.0002187300000000, 0.0001441900000000 ] - [ 0.0001287200000000, 0.0001717600000000, -0.0000275500000000 ] - [ 0.0001559900000000, 0.0006255300000000, -0.0004614100000000 ] - [ 0.0001239100000000, 0.0001554200000000, 0.0000839100000000 ] - [ 0.0002958700000000, -0.0000509500000000, -0.0002259700000000 ] - [ 0.0000126900000000, 0.0000272500000000, -0.0000631300000000 ] - [ 0.0002532400000000, -0.0003355100000000, 0.0000331500000000 ] - [ 0.0001370100000000, -0.0001744800000000, -0.0002079500000000 ] - [ 0.0000976800000000, -0.0001308900000000, -0.0001216000000000 ] - [ -0.0002376900000000, 0.0001189600000000, -0.0001792600000000 ] - [ 0.0000349800000000, 0.0003599500000000, 0.0001891900000000 ] - [ -0.0001698200000000, 0.0001299600000000, -0.0002462000000000 ] - [ -0.0000516500000000, 0.0001834300000000, 0.0000844000000000 ] - [ -0.0002174400000000, -0.0003263300000000, 0.0000508100000000 ] - [ -0.0000733800000000, -0.0001701300000000, 0.0000238900000000 ] - [ 0.0000127600000000, -0.0001514900000000, 0.0001271900000000 ] - [ -0.0013096000000000, 0.0022436500000000, 0.0020481700000000 ] - [ -0.0005134600000000, 0.0001147900000000, -0.0001333700000000 ] - [ 0.0001136000000000, -0.0001066500000000, -0.0001115500000000 ] - [ 0.0000417500000000, -0.0001060200000000, -0.0002561600000000 ] - [ -0.0000010500000000, -0.0001236800000000, -0.0001539700000000 ] - [ -0.0000967100000000, 0.0000866100000000, 0.0000828700000000 ] - [ 0.0000973800000000, 0.0000628700000000, -0.0000691700000000 ] - [ 0.0000303000000000, -0.0001251400000000, 0.0001091100000000 ] - [ -0.0037001000000000, -0.0013059300000000, 0.0034088400000000 ] - [ -0.0001859000000000, -0.0000639500000000, -0.0001248700000000 ] - [ 0.0002015800000000, -0.0000246600000000, 0.0000384600000000 ] - [ 0.0009046500000000, 0.0025611400000000, -0.0054068100000000 ] - [ -0.0000085800000000, -0.0000399200000000, 0.0000715100000000 ] - [ 0.0000618100000000, 0.0000009000000000, 0.0000217500000000 ] - [ 0.0001820900000000, 0.0001195600000000, -0.0000873100000000 ] - [ 0.0000573000000000, -0.0000435800000000, 0.0000479500000000 ] - [ -0.0000165900000000, -0.0000100000000000, -0.0000597700000000 ] - [ 0.0005973900000000, -0.0000350500000000, -0.0000224100000000 ] - [ 0.0007429100000000, -0.0005198800000000, -0.0001949300000000 ] - [ 0.0004831700000000, -0.0000439600000000, -0.0000120200000000 ] - [ 0.0003611000000000, 0.0000265400000000, -0.0004244400000000 ] - [ -0.0004954400000000, -0.0000925200000000, -0.0000488800000000 ] - [ -0.0004303200000000, -0.0000733800000000, 0.0000437800000000 ] - [ -0.0006231200000000, -0.0008134300000000, -0.0003249500000000 ] - [ -0.0003721900000000, -0.0000132700000000, 0.0001530900000000 ] - [ -0.0014274800000000, -0.0002040500000000, -0.0001750300000000 ] - [ -0.0002120200000000, 0.0004545900000000, 0.0000958600000000 ] - [ -0.0001722000000000, 0.0000393400000000, 0.0001655500000000 ] - [ -0.0006715400000000, 0.0001910300000000, -0.0001132400000000 ] - [ 0.0001888800000000, 0.0000946800000000, -0.0001514400000000 ] - [ 0.0002461200000000, 0.0000156800000000, -0.0002263500000000 ] - [ 0.0002970400000000, 0.0001010200000000, -0.0001455000000000 ] - [ -0.0000187600000000, 0.0003759900000000, -0.0000808100000000 ] - [ -0.0002189100000000, -0.0001669800000000, 0.0001374600000000 ] - [ -0.0001223900000000, -0.0000479600000000, 0.0000131600000000 ] - [ -0.0001462600000000, -0.0001750100000000, 0.0001321700000000 ] - [ -0.0004431800000000, -0.0005248000000000, 0.0000434500000000 ] - [ -0.0006130900000000, -0.0002750000000000, -0.0002331200000000 ] - [ 0.0020725800000000, -0.0006594800000000, -0.0006959100000000 ] - [ 0.0016990800000000, 0.0000121200000000, -0.0012562600000000 ] - [ 0.0003207400000000, -0.0000478200000000, -0.0004262400000000 ] - [ -0.0299127200000000, -0.0073622800000000, 0.0230605400000000 ] - [ 0.0005934300000000, 0.0001940700000000, 0.0004996500000000 ] - [ 0.0003570400000000, 0.0001673400000000, 0.0002053000000000 ] - [ 0.0001548500000000, -0.0000359900000000, 0.0004876800000000 ] - [ -0.0004885100000000, 0.0001957300000000, -0.0002910700000000 ] - [ -0.0003732700000000, 0.0001593500000000, -0.0003515400000000 ] - [ -0.0001572000000000, 0.0001608600000000, -0.0002336100000000 ] - [ -0.0006328300000000, 0.0006445800000000, 0.0000473600000000 ] - [ 0.0002968400000000, 0.0001883600000000, 0.0000427600000000 ] - [ -0.0001493600000000, 0.0001314800000000, 0.0000059700000000 ] - [ -0.0001271100000000, -0.0002259700000000, 0.0002802600000000 ] - [ 0.0000422900000000, 0.0000886000000000, -0.0000564500000000 ] - [ 0.0000055800000000, 0.0003279200000000, 0.0000749400000000 ] - [ -0.0000952200000000, 0.0000827300000000, 0.0003294700000000 ] - [ -0.0001496300000000, 0.0000981800000000, -0.0001137900000000 ] - [ 0.0005867500000000, -0.0005425000000000, -0.0042835800000000 ] - [ -0.0003450500000000, -0.0002741700000000, -0.0000070100000000 ] - [ -0.0005157800000000, 0.0001193300000000, 0.0000362800000000 ] - [ -0.0004703400000000, -0.0001367700000000, 0.0000139100000000 ] - [ -0.0001662800000000, -0.0001330100000000, 0.0000902200000000 ] - [ 0.0007092900000000, -0.0000818700000000, 0.0003366600000000 ] - [ 0.0002097300000000, -0.0001024300000000, 0.0001744100000000 ] - [ 0.0001432800000000, -0.0001372200000000, -0.0001498900000000 ] - [ 0.0002836000000000, -0.0000202100000000, -0.0002705600000000 ] - [ 0.0001879400000000, 0.0001143100000000, 0.0005155700000000 ] - [ 0.0001072200000000, 0.0001440600000000, 0.0005102300000000 ] - [ -0.0001217400000000, 0.0002026700000000, 0.0001015600000000 ] - [ -0.0000625300000000, 0.0004023300000000, 0.0000022700000000 ] - [ -0.0001804800000000, 0.0002256800000000, -0.0005930200000000 ] - [ -0.0004232800000000, -0.0003746600000000, -0.0003001200000000 ] - [ -0.0000898000000000, 0.0002814800000000, -0.0003704300000000 ] - [ -0.0000736400000000, 0.0002910900000000, -0.0002314000000000 ] - [ -0.0000949400000000, -0.0001329100000000, -0.0004260600000000 ] - [ -0.0002050600000000, 0.0000846300000000, -0.0000131500000000 ] - [ -0.0002857700000000, 0.0000599400000000, -0.0003334900000000 ] - [ 0.0009612800000000, 0.0005071200000000, -0.0017165000000000 ] - [ 0.0016758600000000, 0.0051284000000000, -0.0020640500000000 ] - [ -0.0001001000000000, -0.0000555500000000, 0.0002238600000000 ] - [ 0.0000274000000000, 0.0000040300000000, 0.0004403900000000 ] - [ 0.0001836200000000, 0.0001858200000000, 0.0002435900000000 ]- atom: 113 displacement: [ 0.0099999730884809, 0.0000000000000000, -0.0000231997770880 ] forces: - [ -0.0001367000000000, -0.0001857000000000, -0.0002990200000000 ] - [ 0.0007859300000000, 0.0019943900000000, -0.0014248600000000 ] - [ -0.0004675200000000, -0.0001581500000000, 0.0000439200000000 ] - [ -0.0004758900000000, -0.0001339500000000, -0.0004210300000000 ] - [ 0.0002307800000000, 0.0000985600000000, -0.0001073300000000 ] - [ 0.0000851400000000, 0.0000706200000000, -0.0001452100000000 ] - [ 0.0005107900000000, 0.0000782200000000, -0.0001544700000000 ] - [ -0.0006728500000000, 0.0002941600000000, 0.0000987500000000 ] - [ -0.0022298300000000, 0.0014681200000000, -0.0042816100000000 ] - [ 0.0002357700000000, -0.0001021300000000, 0.0003860200000000 ] - [ -0.0001473100000000, -0.0002022400000000, -0.0001916400000000 ] - [ 0.0002962700000000, -0.0000389300000000, 0.0001861200000000 ] - [ -0.0014938200000000, -0.0009589200000000, -0.0009448600000000 ] - [ 0.0008029500000000, -0.0001955500000000, 0.0003884400000000 ] - [ 0.0011257700000000, 0.0005078900000000, -0.0009978200000000 ] - [ 0.0003465600000000, -0.0003060300000000, 0.0005167400000000 ] - [ -0.0003886900000000, 0.0027000900000000, 0.0012918700000000 ] - [ 0.0008427500000000, -0.0002825500000000, -0.0003209000000000 ] - [ 0.0010010500000000, -0.0003115000000000, 0.0001799000000000 ] - [ -0.0000333800000000, -0.0001800900000000, -0.0001738800000000 ] - [ -0.0008309600000000, -0.0007210900000000, -0.0001033300000000 ] - [ 0.0008144600000000, -0.0002503000000000, -0.0002032900000000 ] - [ -0.0003555900000000, -0.0002213600000000, -0.0002588700000000 ] - [ -0.0003410100000000, -0.0001883200000000, 0.0000713300000000 ] - [ -0.0009976200000000, 0.0052800800000000, 0.0002371100000000 ] - [ 0.0006157200000000, -0.0002955600000000, 0.0003000300000000 ] - [ 0.0003204000000000, -0.0001520000000000, 0.0001723600000000 ] - [ 0.0001410400000000, -0.0001775700000000, 0.0003794000000000 ] - [ 0.0003106300000000, -0.0000930000000000, -0.0004327500000000 ] - [ 0.0008389700000000, -0.0019808500000000, -0.0033432800000000 ] - [ 0.0000576700000000, -0.0001152700000000, -0.0002285000000000 ] - [ -0.0004777600000000, -0.0001698000000000, -0.0004850100000000 ] - [ 0.0017099000000000, 0.0007896000000000, 0.0001804000000000 ] - [ -0.0003220800000000, 0.0002446200000000, -0.0001048600000000 ] - [ -0.0008543800000000, -0.0000422200000000, 0.0003790600000000 ] - [ 0.0001201100000000, 0.0002023400000000, -0.0000367000000000 ] - [ -0.0000885800000000, 0.0005811200000000, 0.0002267900000000 ] - [ -0.0003499700000000, 0.0000525700000000, 0.0001299300000000 ] - [ 0.0001932000000000, 0.0001735400000000, 0.0000529800000000 ] - [ 0.0000780500000000, 0.0001993500000000, 0.0001081700000000 ] - [ 0.0001474700000000, 0.0002000000000000, -0.0000930300000000 ] - [ -0.0009663800000000, -0.0002653200000000, -0.0002633400000000 ] - [ 0.0001035900000000, 0.0002605700000000, 0.0000584200000000 ] - [ 0.0001855400000000, 0.0002289200000000, 0.0000937400000000 ] - [ 0.0011528200000000, -0.0000346000000000, -0.0001282000000000 ] - [ -0.0006081100000000, 0.0002161800000000, 0.0001450400000000 ] - [ -0.0000361100000000, 0.0000365900000000, 0.0002454600000000 ] - [ -0.0001911900000000, 0.0003956300000000, -0.0002250100000000 ] - [ -0.0001796800000000, 0.0000841300000000, -0.0001050300000000 ] - [ 0.0002158700000000, 0.0007953000000000, 0.0005899600000000 ] - [ 0.0000007500000000, 0.0001487000000000, -0.0000992800000000 ] - [ 0.0001613400000000, 0.0001062600000000, 0.0001401400000000 ] - [ 0.0047972000000000, -0.0037948000000000, -0.0020392800000000 ] - [ -0.0002544800000000, -0.0000740800000000, -0.0003087900000000 ] - [ 0.0002288100000000, -0.0000072100000000, 0.0001314400000000 ] - [ 0.0000259600000000, -0.0002726900000000, -0.0001404800000000 ] - [ 0.0057779200000000, -0.0008922500000000, -0.0046996600000000 ] - [ -0.0005490300000000, 0.0003380900000000, -0.0001097900000000 ] - [ -0.0000505400000000, 0.0002777200000000, 0.0003890200000000 ] - [ -0.0001977900000000, 0.0002504400000000, -0.0000856000000000 ] - [ -0.0001614400000000, -0.0002836000000000, -0.0000222700000000 ] - [ -0.0001931300000000, -0.0002246800000000, 0.0002049400000000 ] - [ -0.0003768000000000, -0.0002909400000000, 0.0001467700000000 ] - [ 0.0001719100000000, -0.0001642000000000, -0.0001784200000000 ] - [ 0.0074029600000000, 0.0056570200000000, -0.0007109500000000 ] - [ -0.0003084800000000, -0.0000111600000000, -0.0002675400000000 ] - [ 0.0000415600000000, -0.0000549900000000, 0.0000135000000000 ] - [ -0.0000896200000000, -0.0001427800000000, -0.0002195500000000 ] - [ 0.0000817500000000, -0.0001355400000000, 0.0000295700000000 ] - [ -0.0001300500000000, -0.0001981900000000, 0.0002868500000000 ] - [ -0.0002395800000000, -0.0000055200000000, 0.0001627100000000 ] - [ 0.0002808600000000, -0.0002043000000000, -0.0001624300000000 ] - [ 0.0007419600000000, -0.0009188600000000, -0.0000006100000000 ] - [ -0.0002533400000000, 0.0000181200000000, -0.0000189700000000 ] - [ 0.0000011700000000, 0.0001059500000000, 0.0003062700000000 ] - [ -0.0000946300000000, -0.0000089700000000, -0.0001730400000000 ] - [ -0.0003537800000000, -0.0001866100000000, -0.0000018800000000 ] - [ 0.0085040100000000, -0.0067028300000000, 0.0044531900000000 ] - [ -0.0000966100000000, 0.0000305400000000, 0.0000000300000000 ] - [ 0.0001033700000000, -0.0000303100000000, 0.0001478300000000 ] - [ 0.0001050800000000, 0.0001347900000000, 0.0000109600000000 ] - [ 0.0010991700000000, -0.0015810900000000, 0.0009134500000000 ] - [ 0.0005772600000000, 0.0000105400000000, -0.0001462100000000 ] - [ 0.0004076000000000, -0.0000746700000000, 0.0000761900000000 ] - [ 0.0000346300000000, -0.0000526300000000, 0.0002832000000000 ] - [ -0.0005942000000000, -0.0000399200000000, 0.0000201000000000 ] - [ -0.0004554400000000, -0.0003152200000000, 0.0005026300000000 ] - [ -0.0005368200000000, -0.0001422800000000, -0.0001120100000000 ] - [ 0.0000047300000000, 0.0000024300000000, 0.0001084600000000 ] - [ -0.0005083400000000, -0.0000305900000000, 0.0002533600000000 ] - [ -0.0002234100000000, 0.0000290300000000, 0.0002368100000000 ] - [ -0.0002149300000000, 0.0000549200000000, 0.0000677400000000 ] - [ 0.0039584800000000, -0.0019145800000000, 0.0017171600000000 ] - [ -0.0001009500000000, 0.0002564900000000, 0.0000634800000000 ] - [ 0.0000568900000000, 0.0001153700000000, -0.0000391900000000 ] - [ 0.0003726200000000, 0.0000904900000000, -0.0001780500000000 ] - [ -0.0008748400000000, -0.0004203000000000, 0.0001142000000000 ] - [ -0.0008862800000000, 0.0000110600000000, 0.0004803500000000 ] - [ -0.0004681500000000, -0.0002681300000000, 0.0001357100000000 ] - [ -0.0000648500000000, -0.0001612200000000, 0.0001236200000000 ] - [ 0.0025032100000000, -0.0017742700000000, 0.0003029300000000 ] - [ -0.0001955600000000, -0.0001035100000000, -0.0000810500000000 ] - [ 0.0002116100000000, -0.0001684400000000, -0.0000489300000000 ] - [ 0.0002716200000000, -0.0002153700000000, -0.0002109600000000 ] - [ 0.0010248700000000, 0.0001837000000000, 0.0002958300000000 ] - [ -0.0000768100000000, 0.0001059000000000, 0.0002349100000000 ] - [ 0.0002288600000000, 0.0000910200000000, 0.0003661100000000 ] - [ 0.0003877300000000, 0.0002392000000000, 0.0002568500000000 ] - [ -0.0007583500000000, 0.0001344600000000, -0.0004987000000000 ] - [ -0.0003292300000000, 0.0002971300000000, -0.0001655200000000 ] - [ -0.0008399100000000, 0.0001939800000000, -0.0003666400000000 ] - [ 0.0023664400000000, -0.0000939200000000, 0.0004019500000000 ] - [ -0.0406695300000000, 0.0025848900000000, 0.0069912400000000 ] - [ 0.0003981300000000, 0.0001039200000000, 0.0000103800000000 ] - [ 0.0000913600000000, 0.0000733100000000, -0.0001860900000000 ] - [ -0.0000142900000000, 0.0000101200000000, 0.0001536200000000 ] - [ 0.0000351600000000, 0.0001857300000000, 0.0002147900000000 ] - [ 0.0003082100000000, 0.0001619000000000, -0.0003669800000000 ] - [ 0.0001507100000000, 0.0001721600000000, 0.0000237300000000 ] - [ -0.0003928400000000, 0.0001477100000000, 0.0000520000000000 ] - [ 0.0049111400000000, -0.0000751400000000, 0.0000129800000000 ] - [ 0.0033371700000000, -0.0002924200000000, 0.0000479300000000 ] - [ -0.0003375500000000, -0.0001583000000000, -0.0000270600000000 ] - [ -0.0004779600000000, -0.0001268100000000, -0.0000533000000000 ] - [ -0.0002384600000000, 0.0000794300000000, 0.0000191400000000 ] - [ 0.0007022900000000, -0.0001002900000000, -0.0000033600000000 ] - [ 0.0005131400000000, 0.0000006500000000, -0.0000851300000000 ] - [ 0.0004426800000000, -0.0000400400000000, 0.0002525900000000 ] - [ -0.0016187400000000, -0.0000145000000000, 0.0002347100000000 ] - [ 0.0003152300000000, 0.0002045600000000, 0.0003616400000000 ] - [ 0.0008348300000000, -0.0000857400000000, -0.0003212500000000 ] - [ 0.0005186000000000, 0.0000157400000000, 0.0010922300000000 ] - [ 0.0006111700000000, 0.0006794400000000, -0.0005424400000000 ] - [ 0.0005309700000000, 0.0000394300000000, -0.0000606500000000 ] - [ -0.0001806300000000, 0.0002801100000000, -0.0004070800000000 ] - [ -0.0000758600000000, 0.0002123500000000, -0.0004414400000000 ] - [ 0.0004325900000000, -0.0004301900000000, 0.0001832100000000 ] - [ 0.0006155800000000, 0.0001610200000000, -0.0009266800000000 ] - [ 0.0001898500000000, 0.0000133200000000, -0.0002762000000000 ] - [ -0.0017685200000000, -0.0002690600000000, -0.0003657500000000 ] - [ -0.0020401300000000, 0.0001287400000000, 0.0003840500000000 ] - [ 0.0005007300000000, 0.0000719900000000, 0.0002827800000000 ] - [ 0.0001427400000000, 0.0001109400000000, 0.0000731400000000 ] - [ 0.0001534900000000, 0.0000427600000000, 0.0003927000000000 ]- atom: 113 displacement: [ -0.0099999730884809, 0.0000000000000000, 0.0000231997770880 ] forces: - [ -0.0006536800000000, -0.0000014900000000, -0.0000051200000000 ] - [ -0.0015853300000000, -0.0021902300000000, 0.0011268000000000 ] - [ -0.0003185400000000, -0.0000339900000000, -0.0003427000000000 ] - [ -0.0003156500000000, -0.0000521200000000, 0.0001215300000000 ] - [ -0.0000659900000000, -0.0000836000000000, -0.0002607100000000 ] - [ 0.0000776600000000, -0.0000553900000000, -0.0002245100000000 ] - [ -0.0003484900000000, -0.0000635800000000, -0.0002149100000000 ] - [ 0.0008369300000000, -0.0002803900000000, -0.0004690300000000 ] - [ 0.0020465600000000, -0.0014579400000000, 0.0046394400000000 ] - [ -0.0003981000000000, 0.0001161400000000, -0.0000173700000000 ] - [ -0.0000169200000000, 0.0002136100000000, 0.0005592100000000 ] - [ -0.0004623200000000, 0.0000534000000000, 0.0001843700000000 ] - [ 0.0022950600000000, 0.0007714000000000, 0.0012409600000000 ] - [ -0.0000147100000000, 0.0000071300000000, -0.0000872800000000 ] - [ -0.0003304600000000, -0.0006887700000000, 0.0012923700000000 ] - [ 0.0004442900000000, 0.0001215800000000, -0.0002197400000000 ] - [ 0.0010377000000000, -0.0031332500000000, -0.0011568200000000 ] - [ -0.0001909300000000, -0.0001537900000000, 0.0004603900000000 ] - [ -0.0003475900000000, -0.0001263400000000, -0.0000395400000000 ] - [ 0.0006967700000000, -0.0002605500000000, 0.0003227000000000 ] - [ 0.0001681800000000, 0.0002805000000000, -0.0000339800000000 ] - [ -0.0014669000000000, -0.0001920200000000, 0.0000613700000000 ] - [ -0.0002942800000000, -0.0002211100000000, 0.0001193400000000 ] - [ -0.0003100500000000, -0.0002532600000000, -0.0002127800000000 ] - [ 0.0014450000000000, -0.0056136800000000, 0.0004153500000000 ] - [ -0.0002022400000000, -0.0000078100000000, 0.0003588900000000 ] - [ 0.0000935200000000, -0.0001506000000000, 0.0004861800000000 ] - [ 0.0002717700000000, -0.0001258300000000, 0.0002782600000000 ] - [ -0.0007218500000000, -0.0002093100000000, -0.0002265800000000 ] - [ -0.0012615900000000, 0.0016874900000000, 0.0026900100000000 ] - [ -0.0004698100000000, -0.0001889300000000, -0.0004298600000000 ] - [ 0.0000626200000000, -0.0001335800000000, -0.0001744100000000 ] - [ -0.0019404100000000, -0.0004070600000000, -0.0003368300000000 ] - [ 0.0000928400000000, 0.0001339600000000, -0.0000560500000000 ] - [ 0.0006193100000000, 0.0004185500000000, -0.0005353300000000 ] - [ -0.0003574400000000, 0.0001784200000000, -0.0001269700000000 ] - [ 0.0003162800000000, -0.0001982400000000, -0.0000663700000000 ] - [ 0.0005821900000000, 0.0003254800000000, 0.0000296300000000 ] - [ 0.0000372800000000, 0.0002047600000000, 0.0001067900000000 ] - [ 0.0001529400000000, 0.0001786500000000, 0.0000516700000000 ] - [ 0.0000463800000000, 0.0002482100000000, 0.0001144400000000 ] - [ 0.0011579100000000, 0.0007140800000000, 0.0002878300000000 ] - [ 0.0000872700000000, 0.0001872100000000, -0.0000360900000000 ] - [ 0.0000051800000000, 0.0002192200000000, -0.0000712200000000 ] - [ -0.0013449800000000, 0.0004800600000000, 0.0001032300000000 ] - [ 0.0004174100000000, 0.0002317600000000, -0.0001672200000000 ] - [ -0.0001535500000000, 0.0004122800000000, -0.0002661200000000 ] - [ 0.0000018800000000, 0.0000520400000000, 0.0002035000000000 ] - [ 0.0003506100000000, 0.0002534300000000, 0.0000783700000000 ] - [ -0.0000423400000000, -0.0004567400000000, -0.0006187200000000 ] - [ 0.0001693600000000, 0.0001895700000000, 0.0000722900000000 ] - [ 0.0000090900000000, 0.0002309700000000, -0.0001667000000000 ] - [ -0.0044351500000000, 0.0033262800000000, 0.0017261300000000 ] - [ 0.0005020900000000, -0.0003209800000000, 0.0001388600000000 ] - [ 0.0000185300000000, -0.0003882700000000, -0.0003027100000000 ] - [ 0.0002211100000000, -0.0001222900000000, -0.0000304400000000 ] - [ -0.0061268700000000, 0.0012038400000000, 0.0049167900000000 ] - [ 0.0003764500000000, -0.0000002700000000, 0.0001352300000000 ] - [ -0.0001211300000000, 0.0000600200000000, -0.0003613900000000 ] - [ 0.0000268200000000, 0.0000866400000000, 0.0001128300000000 ] - [ -0.0000851600000000, -0.0001095500000000, 0.0001938300000000 ] - [ -0.0000532800000000, -0.0001696200000000, -0.0000342400000000 ] - [ 0.0001309900000000, -0.0001031100000000, 0.0000239500000000 ] - [ -0.0004177700000000, -0.0002297200000000, 0.0003512600000000 ] - [ -0.0072010900000000, -0.0056703600000000, 0.0003276200000000 ] - [ 0.0003185000000000, -0.0002081400000000, -0.0000249700000000 ] - [ -0.0000312900000000, -0.0001617400000000, -0.0003050900000000 ] - [ 0.0001007800000000, -0.0000745400000000, -0.0000732400000000 ] - [ -0.0000953600000000, -0.0000823000000000, 0.0002621600000000 ] - [ 0.0001194800000000, -0.0000201900000000, 0.0000059000000000 ] - [ 0.0002301600000000, -0.0002128000000000, 0.0001308800000000 ] - [ -0.0002902100000000, -0.0000122500000000, 0.0004572500000000 ] - [ -0.0008135800000000, 0.0008827700000000, -0.0000233300000000 ] - [ 0.0001872700000000, -0.0000646800000000, -0.0000058700000000 ] - [ -0.0000675300000000, -0.0001527200000000, -0.0003302800000000 ] - [ 0.0000285800000000, -0.0000374800000000, 0.0001487900000000 ] - [ 0.0004198500000000, 0.0001367500000000, 0.0000264500000000 ] - [ -0.0086524000000000, 0.0069015200000000, -0.0045210700000000 ] - [ 0.0001644300000000, -0.0000775800000000, 0.0000242900000000 ] - [ -0.0000351700000000, -0.0000164300000000, -0.0001232100000000 ] - [ 0.0008431300000000, -0.0002578800000000, -0.0001459600000000 ] - [ -0.0002095100000000, 0.0014258900000000, -0.0010906600000000 ] - [ 0.0003715700000000, -0.0001356900000000, 0.0000089000000000 ] - [ 0.0005413500000000, -0.0000500800000000, -0.0002128200000000 ] - [ -0.0009872600000000, -0.0000717200000000, -0.0001459000000000 ] - [ -0.0003551200000000, -0.0000839700000000, 0.0001169000000000 ] - [ -0.0004941800000000, 0.0001908700000000, -0.0003666400000000 ] - [ -0.0004123700000000, 0.0000174400000000, 0.0002486600000000 ] - [ -0.0004488300000000, 0.0001553900000000, 0.0001769200000000 ] - [ 0.0000637100000000, 0.0001905100000000, 0.0000328200000000 ] - [ -0.0002212400000000, 0.0001291300000000, 0.0000491000000000 ] - [ -0.0002298800000000, 0.0001042400000000, 0.0002187200000000 ] - [ -0.0034104800000000, 0.0020591100000000, -0.0018673000000000 ] - [ 0.0005467500000000, -0.0000973800000000, -0.0003494600000000 ] - [ 0.0003887800000000, 0.0000434200000000, -0.0002461900000000 ] - [ 0.0000721100000000, 0.0000671700000000, -0.0001065800000000 ] - [ 0.0003420400000000, 0.0000240300000000, 0.0001497700000000 ] - [ 0.0003566800000000, -0.0004085300000000, -0.0002149700000000 ] - [ -0.0000619800000000, -0.0001261800000000, 0.0001279000000000 ] - [ -0.0004630300000000, -0.0002316800000000, 0.0001412300000000 ] - [ -0.0019834200000000, 0.0013683900000000, -0.0005565900000000 ] - [ 0.0007241000000000, -0.0002898200000000, -0.0001832500000000 ] - [ 0.0003164400000000, -0.0002251800000000, -0.0002158100000000 ] - [ 0.0002565500000000, -0.0001783200000000, -0.0000531900000000 ] - [ -0.0002108700000000, 0.0001474700000000, 0.0002807100000000 ] - [ 0.0008919500000000, 0.0002257000000000, 0.0003418500000000 ] - [ 0.0005869500000000, 0.0002401900000000, 0.0002098800000000 ] - [ 0.0004280400000000, 0.0000922000000000, 0.0003207600000000 ] - [ -0.0000499400000000, 0.0001972100000000, -0.0000748700000000 ] - [ -0.0004852600000000, 0.0000348200000000, -0.0004097500000000 ] - [ 0.0000261000000000, 0.0001376000000000, -0.0002089800000000 ] - [ -0.0031788400000000, 0.0004322400000000, -0.0009893400000000 ] - [ 0.0407307100000000, -0.0026379400000000, -0.0069175700000000 ] - [ -0.0003524000000000, 0.0001324200000000, 0.0000125600000000 ] - [ -0.0000461200000000, 0.0001624300000000, 0.0002095800000000 ] - [ 0.0000600500000000, 0.0002274200000000, -0.0001302600000000 ] - [ -0.0000818900000000, 0.0000501400000000, -0.0002364100000000 ] - [ -0.0003548800000000, 0.0000735300000000, 0.0003445200000000 ] - [ -0.0001957100000000, 0.0000642200000000, -0.0000476600000000 ] - [ 0.0003475600000000, 0.0000882300000000, -0.0000760400000000 ] - [ -0.0055968400000000, -0.0001477600000000, -0.0000505300000000 ] - [ -0.0041511700000000, 0.0000662100000000, -0.0000812900000000 ] - [ -0.0004212900000000, -0.0000690000000000, -0.0000071500000000 ] - [ -0.0002816600000000, -0.0000993100000000, 0.0000188500000000 ] - [ 0.0010023900000000, -0.0003029700000000, 0.0000131800000000 ] - [ 0.0000561600000000, -0.0001260700000000, 0.0000385000000000 ] - [ 0.0002460900000000, -0.0002270900000000, 0.0001200800000000 ] - [ 0.0003155300000000, -0.0001876800000000, -0.0002197100000000 ] - [ 0.0018065800000000, 0.0004069600000000, 0.0005192000000000 ] - [ -0.0001305000000000, 0.0001877900000000, 0.0004004900000000 ] - [ -0.0006489500000000, 0.0004788700000000, 0.0010813400000000 ] - [ -0.0003347100000000, 0.0003772800000000, -0.0003326100000000 ] - [ -0.0007963200000000, -0.0002863000000000, -0.0002203600000000 ] - [ -0.0007163100000000, 0.0003534000000000, -0.0006997300000000 ] - [ -0.0000037700000000, 0.0001136900000000, -0.0003534500000000 ] - [ -0.0001103100000000, 0.0001798400000000, -0.0003193600000000 ] - [ -0.0006746900000000, 0.0004668300000000, -0.0007375800000000 ] - [ -0.0008556700000000, -0.0001227500000000, 0.0003696300000000 ] - [ -0.0004316800000000, 0.0000231700000000, -0.0002814800000000 ] - [ 0.0015280400000000, 0.0003102200000000, -0.0001865500000000 ] - [ 0.0022832300000000, -0.0000995800000000, 0.0001752400000000 ] - [ -0.0002589600000000, -0.0000350400000000, 0.0002730400000000 ] - [ 0.0000992000000000, -0.0000747300000000, 0.0004831400000000 ] - [ 0.0000873800000000, -0.0000060900000000, 0.0001641100000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007288200000000, -0.0001693600000000, -0.0001827600000000 ] - [ 0.0005415600000000, 0.0023202400000000, -0.0001272300000000 ] - [ -0.0003625700000000, -0.0002048700000000, -0.0002367000000000 ] - [ -0.0003746100000000, -0.0001161900000000, -0.0002227800000000 ] - [ 0.0001511700000000, 0.0003764800000000, -0.0002550400000000 ] - [ 0.0001842200000000, 0.0000810800000000, 0.0000253600000000 ] - [ 0.0001230200000000, 0.0001082900000000, -0.0001688500000000 ] - [ 0.0001127100000000, 0.0004963700000000, 0.0000277000000000 ] - [ 0.0013207800000000, -0.0030686400000000, -0.0015752200000000 ] - [ -0.0000653000000000, -0.0002007900000000, 0.0002093000000000 ] - [ -0.0002403300000000, -0.0001285500000000, 0.0000389700000000 ] - [ 0.0003051800000000, 0.0000141900000000, 0.0000152000000000 ] - [ -0.0015306800000000, -0.0015275700000000, 0.0025874200000000 ] - [ 0.0003542400000000, -0.0000655800000000, 0.0001097500000000 ] - [ 0.0005954600000000, 0.0000784300000000, -0.0001370500000000 ] - [ 0.0001817400000000, 0.0000339000000000, 0.0003311000000000 ] - [ 0.0027676700000000, -0.0021150900000000, 0.0014497600000000 ] - [ 0.0000534200000000, -0.0006010700000000, 0.0002182000000000 ] - [ 0.0005276700000000, -0.0002537700000000, 0.0001004200000000 ] - [ -0.0006490000000000, 0.0002926800000000, -0.0006894900000000 ] - [ -0.0024684600000000, 0.0012324700000000, 0.0010637300000000 ] - [ 0.0002987100000000, -0.0000324300000000, -0.0002936300000000 ] - [ -0.0003107700000000, -0.0002205100000000, -0.0001316300000000 ] - [ -0.0004529500000000, -0.0002405400000000, -0.0001628500000000 ] - [ 0.0062111700000000, 0.0020321500000000, -0.0020672500000000 ] - [ 0.0002784500000000, -0.0001810300000000, 0.0002572100000000 ] - [ 0.0002544400000000, -0.0002588600000000, 0.0003380100000000 ] - [ 0.0001323700000000, -0.0001730200000000, 0.0003489600000000 ] - [ 0.0000083300000000, -0.0000920600000000, -0.0004159900000000 ] - [ -0.0014624900000000, 0.0018374600000000, 0.0020562900000000 ] - [ -0.0002724900000000, -0.0001239100000000, -0.0003346000000000 ] - [ -0.0001603500000000, -0.0000982500000000, -0.0004282200000000 ] - [ 0.0006387900000000, 0.0049135800000000, -0.0002248000000000 ] - [ -0.0001887000000000, 0.0002083500000000, -0.0001374000000000 ] - [ -0.0003780600000000, 0.0001276900000000, 0.0000551200000000 ] - [ 0.0003816900000000, -0.0000541300000000, 0.0002572300000000 ] - [ 0.0001967500000000, 0.0000663200000000, -0.0000674100000000 ] - [ -0.0003114900000000, 0.0000051900000000, -0.0001257800000000 ] - [ 0.0000560300000000, 0.0002248300000000, 0.0001434400000000 ] - [ 0.0001173700000000, 0.0002282600000000, 0.0001264000000000 ] - [ 0.0009384000000000, 0.0000304600000000, -0.0004096200000000 ] - [ -0.0007511500000000, -0.0003459900000000, -0.0000893400000000 ] - [ 0.0001395500000000, 0.0002388600000000, 0.0001304100000000 ] - [ 0.0000831100000000, 0.0002389700000000, 0.0000724600000000 ] - [ -0.0000436200000000, 0.0006187100000000, -0.0002389400000000 ] - [ 0.0000872200000000, 0.0002718900000000, -0.0000649700000000 ] - [ -0.0002449000000000, 0.0002368700000000, 0.0001305000000000 ] - [ -0.0000672100000000, 0.0001047500000000, -0.0000126700000000 ] - [ 0.0000235000000000, 0.0000687400000000, -0.0000152400000000 ] - [ 0.0001059500000000, -0.0008722600000000, -0.0002180600000000 ] - [ 0.0000666600000000, -0.0000404300000000, 0.0000317000000000 ] - [ 0.0000762700000000, 0.0000571100000000, 0.0000034500000000 ] - [ -0.0024578200000000, 0.0038026600000000, 0.0017626200000000 ] - [ -0.0000106000000000, -0.0000107700000000, -0.0001205600000000 ] - [ 0.0000968800000000, 0.0001244500000000, -0.0000609900000000 ] - [ -0.0000138900000000, -0.0000128100000000, -0.0001024300000000 ] - [ 0.0001338700000000, 0.0010675100000000, -0.0005435000000000 ] - [ -0.0001060500000000, 0.0002491700000000, 0.0000504200000000 ] - [ -0.0001196600000000, 0.0004101000000000, -0.0000176100000000 ] - [ -0.0001365300000000, 0.0002942600000000, -0.0000325700000000 ] - [ -0.0000512700000000, -0.0005313900000000, 0.0000800500000000 ] - [ -0.0001219300000000, -0.0003012400000000, 0.0000746500000000 ] - [ -0.0002218600000000, -0.0003999400000000, 0.0000419400000000 ] - [ -0.0000740500000000, -0.0006823600000000, 0.0001937100000000 ] - [ 0.0053494500000000, 0.0069215100000000, -0.0012445300000000 ] - [ 0.0000138200000000, 0.0000022300000000, -0.0002032100000000 ] - [ 0.0000758100000000, -0.0000508300000000, -0.0003233500000000 ] - [ -0.0000791800000000, -0.0001913900000000, -0.0002132100000000 ] - [ -0.0004823000000000, -0.0002209400000000, 0.0000056000000000 ] - [ -0.0000456400000000, -0.0001891900000000, 0.0001635800000000 ] - [ 0.0000339000000000, -0.0001306300000000, 0.0000395400000000 ] - [ 0.0000034500000000, -0.0003689100000000, -0.0000310300000000 ] - [ -0.0005706700000000, -0.0001947600000000, 0.0000197200000000 ] - [ -0.0000273200000000, -0.0000362900000000, 0.0000395300000000 ] - [ -0.0000699600000000, -0.0001170900000000, -0.0000656900000000 ] - [ -0.0000699700000000, -0.0000229500000000, -0.0000906200000000 ] - [ -0.0000585800000000, -0.0000069200000000, 0.0000259000000000 ] - [ -0.0066632400000000, 0.0061105200000000, -0.0039915900000000 ] - [ -0.0000058600000000, 0.0000042800000000, 0.0000225900000000 ] - [ 0.0000247300000000, 0.0000063900000000, 0.0000706200000000 ] - [ 0.0005466800000000, 0.0000002800000000, -0.0000244200000000 ] - [ -0.0003313400000000, -0.0005296400000000, 0.0003141400000000 ] - [ 0.0005282400000000, -0.0000120900000000, -0.0000049200000000 ] - [ 0.0004237400000000, -0.0000362200000000, -0.0000405700000000 ] - [ -0.0002009200000000, -0.0002900200000000, -0.0005455600000000 ] - [ -0.0005007900000000, -0.0001093100000000, 0.0000844300000000 ] - [ -0.0005655200000000, -0.0000119400000000, 0.0002776200000000 ] - [ -0.0004210500000000, -0.0001312000000000, 0.0000533000000000 ] - [ -0.0001078000000000, -0.0005578300000000, 0.0000634800000000 ] - [ -0.0002651700000000, -0.0001754100000000, 0.0002334700000000 ] - [ -0.0002183500000000, -0.0000076300000000, 0.0001410100000000 ] - [ -0.0002131500000000, 0.0000068000000000, 0.0001608700000000 ] - [ -0.0003242700000000, 0.0017447100000000, -0.0004777400000000 ] - [ 0.0001272000000000, 0.0002469800000000, -0.0001059700000000 ] - [ 0.0002280000000000, 0.0002293700000000, -0.0001591500000000 ] - [ 0.0003476300000000, 0.0003104100000000, 0.0000166300000000 ] - [ -0.0003353000000000, -0.0002823000000000, 0.0001134000000000 ] - [ 0.0008805300000000, -0.0002648600000000, -0.0003556400000000 ] - [ -0.0002333500000000, -0.0002015200000000, 0.0000830900000000 ] - [ -0.0003247700000000, -0.0002721400000000, 0.0001199900000000 ] - [ -0.0025541700000000, 0.0119892800000000, -0.0039029200000000 ] - [ 0.0002051400000000, -0.0001403100000000, -0.0000644200000000 ] - [ 0.0001863400000000, -0.0001329600000000, -0.0002240700000000 ] - [ 0.0003332800000000, -0.0001794600000000, -0.0002086300000000 ] - [ 0.0004665000000000, -0.0003463000000000, 0.0002381100000000 ] - [ 0.0003897300000000, 0.0000463300000000, 0.0002620200000000 ] - [ 0.0000197600000000, -0.0000947500000000, 0.0004705100000000 ] - [ 0.0006660200000000, 0.0000721100000000, 0.0004512700000000 ] - [ -0.0010151600000000, 0.0004062000000000, -0.0003562300000000 ] - [ -0.0002592200000000, 0.0003063900000000, -0.0002485300000000 ] - [ -0.0003932700000000, 0.0002390500000000, -0.0003006500000000 ] - [ -0.0006254200000000, 0.0016021600000000, -0.0011073800000000 ] - [ 0.0026494900000000, -0.0408509400000000, 0.0098671400000000 ] - [ 0.0000094000000000, -0.0000425300000000, 0.0000250700000000 ] - [ -0.0000207700000000, -0.0000083300000000, 0.0000521700000000 ] - [ -0.0000844400000000, -0.0000861600000000, 0.0001257100000000 ] - [ -0.0000915700000000, 0.0003501300000000, 0.0000085600000000 ] - [ -0.0000684500000000, 0.0008069700000000, 0.0001675600000000 ] - [ -0.0000772800000000, 0.0003006000000000, 0.0001544600000000 ] - [ -0.0000534700000000, 0.0002908900000000, 0.0000759200000000 ] - [ -0.0004193800000000, -0.0012814300000000, 0.0000964100000000 ] - [ -0.0002878200000000, -0.0016386400000000, 0.0001598200000000 ] - [ -0.0003491400000000, -0.0002797600000000, 0.0000544600000000 ] - [ -0.0002823000000000, -0.0002091000000000, -0.0000146900000000 ] - [ 0.0004425500000000, 0.0017913200000000, -0.0003597400000000 ] - [ 0.0004462800000000, -0.0000038400000000, -0.0000105100000000 ] - [ 0.0004731000000000, 0.0000765200000000, 0.0001215100000000 ] - [ 0.0003931400000000, 0.0000965000000000, 0.0001356400000000 ] - [ -0.0001054000000000, -0.0001488500000000, -0.0013544200000000 ] - [ 0.0001384600000000, 0.0000897900000000, 0.0002669600000000 ] - [ -0.0000375300000000, 0.0001035900000000, 0.0006329700000000 ] - [ 0.0003451200000000, 0.0000087700000000, 0.0009337400000000 ] - [ 0.0002929800000000, 0.0008587000000000, -0.0004763100000000 ] - [ -0.0007077000000000, 0.0009285700000000, -0.0007688400000000 ] - [ -0.0000061900000000, 0.0003412500000000, -0.0002967500000000 ] - [ -0.0000560300000000, 0.0003155100000000, -0.0004277900000000 ] - [ -0.0002181700000000, -0.0001183100000000, -0.0003919700000000 ] - [ 0.0002480300000000, -0.0001323900000000, -0.0006024600000000 ] - [ -0.0001086800000000, -0.0001373800000000, -0.0002377900000000 ] - [ -0.0000686900000000, -0.0003798000000000, 0.0013241100000000 ] - [ 0.0003366400000000, 0.0040336000000000, -0.0016212600000000 ] - [ 0.0001246200000000, 0.0002055700000000, 0.0002299100000000 ] - [ -0.0000219800000000, 0.0001640400000000, 0.0003375900000000 ] - [ 0.0001102700000000, 0.0002468700000000, 0.0001921100000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000577400000000, -0.0000213100000000, -0.0001160300000000 ] - [ -0.0013399000000000, -0.0025124400000000, -0.0001895500000000 ] - [ -0.0004255800000000, 0.0000151700000000, -0.0000631400000000 ] - [ -0.0004156700000000, -0.0000727700000000, -0.0000751400000000 ] - [ 0.0000083800000000, -0.0003626500000000, -0.0001139900000000 ] - [ -0.0000250900000000, -0.0000684700000000, -0.0003994100000000 ] - [ 0.0000370600000000, -0.0000947600000000, -0.0002018700000000 ] - [ 0.0000440000000000, -0.0004839600000000, -0.0003981800000000 ] - [ -0.0014979500000000, 0.0030584800000000, 0.0019691100000000 ] - [ -0.0000959000000000, 0.0002112800000000, 0.0001628000000000 ] - [ 0.0000769800000000, 0.0001377300000000, 0.0003302500000000 ] - [ -0.0004650800000000, -0.0000027200000000, 0.0003543600000000 ] - [ 0.0023085200000000, 0.0013272100000000, -0.0022796900000000 ] - [ 0.0004335200000000, -0.0001245900000000, 0.0001884700000000 ] - [ 0.0001941800000000, -0.0002671800000000, 0.0004371400000000 ] - [ 0.0006092400000000, -0.0002227200000000, -0.0000336200000000 ] - [ -0.0021117300000000, 0.0016575800000000, -0.0013142100000000 ] - [ 0.0005991600000000, 0.0001689700000000, -0.0000779600000000 ] - [ 0.0001253000000000, -0.0001776400000000, 0.0000425700000000 ] - [ 0.0013089800000000, -0.0007234400000000, 0.0008373100000000 ] - [ 0.0018384600000000, -0.0016804000000000, -0.0012165600000000 ] - [ -0.0009524100000000, -0.0004043500000000, 0.0001506000000000 ] - [ -0.0003373600000000, -0.0002164800000000, -0.0000089600000000 ] - [ -0.0001988700000000, -0.0001966800000000, 0.0000199500000000 ] - [ -0.0058652300000000, -0.0023428100000000, 0.0027582000000000 ] - [ 0.0001321300000000, -0.0001220500000000, 0.0004050400000000 ] - [ 0.0001561100000000, -0.0000437800000000, 0.0003218600000000 ] - [ 0.0002781300000000, -0.0001298300000000, 0.0003108300000000 ] - [ -0.0004191600000000, -0.0002105500000000, -0.0002449000000000 ] - [ 0.0010440500000000, -0.0021344900000000, -0.0027189700000000 ] - [ -0.0001373700000000, -0.0001787700000000, -0.0003236800000000 ] - [ -0.0002501500000000, -0.0002046700000000, -0.0002295100000000 ] - [ -0.0008347600000000, -0.0043525500000000, 0.0001654100000000 ] - [ -0.0000412700000000, 0.0001693400000000, -0.0000214100000000 ] - [ 0.0001459700000000, 0.0002486600000000, -0.0002123600000000 ] - [ -0.0006183100000000, 0.0004333800000000, -0.0004186000000000 ] - [ 0.0000312400000000, 0.0003110600000000, 0.0002265900000000 ] - [ 0.0005436000000000, 0.0003738300000000, 0.0002871800000000 ] - [ 0.0001728800000000, 0.0001524500000000, 0.0000149400000000 ] - [ 0.0001142200000000, 0.0001492600000000, 0.0000321800000000 ] - [ -0.0007541300000000, 0.0004183000000000, 0.0004380200000000 ] - [ 0.0009440300000000, 0.0007928300000000, 0.0001145200000000 ] - [ 0.0000498800000000, 0.0002090300000000, -0.0001075900000000 ] - [ 0.0001080000000000, 0.0002091500000000, -0.0000495100000000 ] - [ -0.0001475000000000, -0.0001663300000000, 0.0002133300000000 ] - [ -0.0002782600000000, 0.0001761100000000, 0.0000420700000000 ] - [ 0.0000555200000000, 0.0002122100000000, -0.0001542700000000 ] - [ -0.0001224700000000, 0.0003430800000000, -0.0000092200000000 ] - [ 0.0001481300000000, 0.0002705000000000, -0.0000116600000000 ] - [ 0.0000685800000000, 0.0012134600000000, 0.0001909100000000 ] - [ 0.0001043700000000, 0.0003791800000000, -0.0000589700000000 ] - [ 0.0000948000000000, 0.0002817100000000, -0.0000308900000000 ] - [ 0.0027629000000000, -0.0042080800000000, -0.0019970600000000 ] - [ 0.0002558700000000, -0.0003849800000000, -0.0000504800000000 ] - [ 0.0001494100000000, -0.0005192200000000, -0.0001093600000000 ] - [ 0.0002584600000000, -0.0003816200000000, -0.0000681200000000 ] - [ -0.0003111400000000, -0.0007298300000000, 0.0005806400000000 ] - [ -0.0000646300000000, 0.0000882000000000, -0.0000237800000000 ] - [ -0.0000524200000000, -0.0000713400000000, 0.0000445800000000 ] - [ -0.0000347600000000, 0.0000436000000000, 0.0000594100000000 ] - [ -0.0001929900000000, 0.0001383200000000, 0.0000912900000000 ] - [ -0.0001229900000000, -0.0000938400000000, 0.0000959100000000 ] - [ -0.0000225600000000, 0.0000058700000000, 0.0001285800000000 ] - [ -0.0001690700000000, 0.0002865100000000, -0.0000215800000000 ] - [ -0.0051501700000000, -0.0069948800000000, 0.0008757500000000 ] - [ -0.0000053700000000, -0.0002208800000000, -0.0000904000000000 ] - [ -0.0000666700000000, -0.0001670900000000, 0.0000301600000000 ] - [ 0.0000888500000000, -0.0000272100000000, -0.0000803100000000 ] - [ 0.0004730900000000, -0.0000001800000000, 0.0002866300000000 ] - [ 0.0000354100000000, -0.0000300900000000, 0.0001302300000000 ] - [ -0.0000433500000000, -0.0000889100000000, 0.0002543800000000 ] - [ -0.0000125400000000, 0.0001500200000000, 0.0003248300000000 ] - [ 0.0005088500000000, 0.0001475200000000, -0.0000438500000000 ] - [ -0.0000384300000000, -0.0000102200000000, -0.0000649800000000 ] - [ 0.0000040500000000, 0.0000703100000000, 0.0000400400000000 ] - [ 0.0000043000000000, -0.0000237100000000, 0.0000662300000000 ] - [ 0.0001269800000000, -0.0000394300000000, -0.0000010600000000 ] - [ 0.0065095200000000, -0.0060029600000000, 0.0039427800000000 ] - [ 0.0000734100000000, -0.0000506700000000, 0.0000018900000000 ] - [ 0.0000430800000000, -0.0000525300000000, -0.0000459500000000 ] - [ 0.0004048900000000, -0.0001266100000000, -0.0001122500000000 ] - [ 0.0012572600000000, 0.0003729200000000, -0.0004636700000000 ] - [ 0.0004216400000000, -0.0001129700000000, -0.0001319600000000 ] - [ 0.0005264500000000, -0.0000891700000000, -0.0000961100000000 ] - [ -0.0007499600000000, 0.0001651400000000, 0.0006820800000000 ] - [ -0.0004495700000000, -0.0000156300000000, 0.0000529000000000 ] - [ -0.0003858600000000, -0.0001118200000000, -0.0001408600000000 ] - [ -0.0005297400000000, 0.0000065800000000, 0.0000832600000000 ] - [ -0.0003396300000000, 0.0007174600000000, 0.0002211700000000 ] - [ -0.0001809500000000, 0.0003351900000000, 0.0000527200000000 ] - [ -0.0002277400000000, 0.0001674800000000, 0.0001440900000000 ] - [ -0.0002325900000000, 0.0001529900000000, 0.0001248300000000 ] - [ 0.0007682600000000, -0.0015805200000000, 0.0001996100000000 ] - [ 0.0003184800000000, -0.0000870200000000, -0.0001784900000000 ] - [ 0.0002186100000000, -0.0000691500000000, -0.0001253700000000 ] - [ 0.0000991300000000, -0.0001521500000000, -0.0003003000000000 ] - [ -0.0001918300000000, -0.0001113300000000, 0.0001539500000000 ] - [ -0.0014088600000000, -0.0001314600000000, 0.0006247800000000 ] - [ -0.0002946100000000, -0.0001924400000000, 0.0001834200000000 ] - [ -0.0002025900000000, -0.0001219100000000, 0.0001470300000000 ] - [ 0.0031588900000000, -0.0129080400000000, 0.0038627100000000 ] - [ 0.0003215800000000, -0.0002540400000000, -0.0002029400000000 ] - [ 0.0003406500000000, -0.0002618400000000, -0.0000429600000000 ] - [ 0.0001933100000000, -0.0002144200000000, -0.0000581000000000 ] - [ 0.0003462800000000, 0.0006769300000000, 0.0003429500000000 ] - [ 0.0004226800000000, 0.0002863100000000, 0.0003163100000000 ] - [ 0.0007987500000000, 0.0004276100000000, 0.0001054400000000 ] - [ 0.0001469000000000, 0.0002597200000000, 0.0001273200000000 ] - [ 0.0002002400000000, -0.0000728500000000, -0.0002219300000000 ] - [ -0.0005523500000000, 0.0000259800000000, -0.0003290900000000 ] - [ -0.0004192000000000, 0.0000925800000000, -0.0002775000000000 ] - [ -0.0001976800000000, -0.0012627400000000, 0.0005141500000000 ] - [ -0.0026243800000000, 0.0411541400000000, -0.0099623200000000 ] - [ 0.0000350300000000, 0.0002761500000000, -0.0000030400000000 ] - [ 0.0000651100000000, 0.0002414100000000, -0.0000295600000000 ] - [ 0.0001293100000000, 0.0003200700000000, -0.0001024200000000 ] - [ 0.0000466600000000, -0.0001174900000000, -0.0000305500000000 ] - [ 0.0000223600000000, -0.0005753100000000, -0.0001914800000000 ] - [ 0.0000332800000000, -0.0000678300000000, -0.0001770000000000 ] - [ 0.0000088100000000, -0.0000582100000000, -0.0000988300000000 ] - [ -0.0003512300000000, 0.0010561400000000, -0.0001285000000000 ] - [ -0.0004626500000000, 0.0014116500000000, -0.0001910300000000 ] - [ -0.0004084100000000, 0.0000533800000000, -0.0000873100000000 ] - [ -0.0004753600000000, -0.0000169400000000, -0.0000184900000000 ] - [ 0.0003179000000000, -0.0020168600000000, 0.0003926300000000 ] - [ 0.0003105100000000, -0.0002226600000000, 0.0000437400000000 ] - [ 0.0002838600000000, -0.0003027900000000, -0.0000884100000000 ] - [ 0.0003639800000000, -0.0003238800000000, -0.0001027500000000 ] - [ 0.0002902900000000, 0.0005523400000000, 0.0021165700000000 ] - [ 0.0000453500000000, 0.0003043300000000, 0.0004922200000000 ] - [ 0.0002186200000000, 0.0002919000000000, 0.0001294000000000 ] - [ -0.0001603100000000, 0.0003842800000000, -0.0001730900000000 ] - [ -0.0004781200000000, -0.0004658400000000, -0.0002837800000000 ] - [ 0.0005247700000000, -0.0005359800000000, 0.0000107100000000 ] - [ -0.0001771800000000, 0.0000522300000000, -0.0004628200000000 ] - [ -0.0001291800000000, 0.0000784300000000, -0.0003324600000000 ] - [ -0.0000262400000000, 0.0001586100000000, -0.0001632800000000 ] - [ -0.0004853400000000, 0.0001745000000000, 0.0000460400000000 ] - [ -0.0001323200000000, 0.0001761500000000, -0.0003152900000000 ] - [ -0.0001701200000000, 0.0004217900000000, -0.0018834400000000 ] - [ -0.0000953000000000, -0.0039451400000000, 0.0021463600000000 ] - [ 0.0001165600000000, -0.0001681000000000, 0.0003234600000000 ] - [ 0.0002625500000000, -0.0001269400000000, 0.0002160100000000 ] - [ 0.0001297500000000, -0.0002085500000000, 0.0003613400000000 ]- atom: 113 displacement: [ -0.0045549923526468, 0.0000000000000000, 0.0089023617466001 ] forces: - [ -0.0004178300000000, 0.0001182900000000, -0.0003217700000000 ] - [ -0.0011302800000000, 0.0001582000000000, -0.0018182100000000 ] - [ -0.0004492700000000, -0.0000530100000000, 0.0002170900000000 ] - [ -0.0002983400000000, -0.0000653100000000, 0.0002742200000000 ] - [ 0.0002796400000000, 0.0000286600000000, 0.0000405300000000 ] - [ -0.0001765200000000, -0.0000952700000000, -0.0002697700000000 ] - [ -0.0001553400000000, -0.0000785000000000, -0.0002843300000000 ] - [ 0.0004845300000000, -0.0000535700000000, -0.0003822000000000 ] - [ -0.0021920400000000, -0.0022884600000000, 0.0052142100000000 ] - [ -0.0002509600000000, 0.0000088100000000, 0.0000969100000000 ] - [ -0.0002991800000000, 0.0002600500000000, 0.0006315200000000 ] - [ 0.0004751400000000, 0.0000465700000000, 0.0000224600000000 ] - [ -0.0004082700000000, 0.0012043000000000, 0.0019066900000000 ] - [ 0.0002050900000000, -0.0000221200000000, -0.0000433000000000 ] - [ -0.0006852400000000, -0.0011734700000000, 0.0022367000000000 ] - [ 0.0010093500000000, 0.0000649400000000, -0.0001292600000000 ] - [ 0.0015330400000000, 0.0005780600000000, 0.0013703200000000 ] - [ 0.0000685500000000, 0.0000483100000000, 0.0002331600000000 ] - [ -0.0004257900000000, 0.0001336300000000, -0.0000532600000000 ] - [ 0.0028525500000000, -0.0008859000000000, 0.0018644600000000 ] - [ 0.0006107300000000, 0.0002187800000000, -0.0011650800000000 ] - [ -0.0008278800000000, -0.0002857000000000, -0.0000689800000000 ] - [ -0.0004986800000000, -0.0002369700000000, 0.0002091900000000 ] - [ -0.0001149300000000, -0.0002615600000000, 0.0000586900000000 ] - [ -0.0007237100000000, -0.0058191300000000, -0.0005509200000000 ] - [ 0.0000325900000000, -0.0001327100000000, 0.0002351800000000 ] - [ -0.0000191900000000, -0.0001119700000000, 0.0006430300000000 ] - [ 0.0003711000000000, -0.0001709100000000, 0.0003913400000000 ] - [ -0.0000789000000000, -0.0002594800000000, -0.0001312200000000 ] - [ -0.0012352000000000, 0.0007951700000000, -0.0005199600000000 ] - [ -0.0003213600000000, -0.0000786400000000, -0.0002745700000000 ] - [ -0.0001165400000000, -0.0001147300000000, -0.0001005000000000 ] - [ -0.0003821300000000, 0.0014723800000000, 0.0004395000000000 ] - [ 0.0000290600000000, 0.0001204600000000, -0.0000107600000000 ] - [ 0.0009824000000000, 0.0004861800000000, -0.0006985600000000 ] - [ -0.0015848200000000, 0.0007295900000000, -0.0009152300000000 ] - [ 0.0002698600000000, 0.0000196200000000, 0.0003339500000000 ] - [ 0.0001185600000000, 0.0004256300000000, 0.0006627200000000 ] - [ 0.0001998800000000, 0.0001322100000000, -0.0001043300000000 ] - [ 0.0000851600000000, 0.0001147400000000, -0.0001194300000000 ] - [ -0.0003497500000000, 0.0002493200000000, 0.0005350200000000 ] - [ 0.0006496500000000, 0.0003386500000000, 0.0004980500000000 ] - [ 0.0000965300000000, 0.0002170500000000, -0.0003090000000000 ] - [ 0.0000173800000000, 0.0001960100000000, -0.0001792900000000 ] - [ -0.0000888500000000, -0.0000042200000000, -0.0001699400000000 ] - [ 0.0000525000000000, 0.0001852600000000, -0.0000287400000000 ] - [ 0.0000003600000000, 0.0004898500000000, -0.0006631900000000 ] - [ -0.0001119600000000, 0.0001924000000000, 0.0000373400000000 ] - [ 0.0001160100000000, 0.0001608300000000, 0.0001604600000000 ] - [ 0.0001514000000000, 0.0001561200000000, 0.0003568500000000 ] - [ 0.0001286300000000, 0.0003702200000000, -0.0001989000000000 ] - [ 0.0000965900000000, 0.0002670800000000, -0.0002763900000000 ] - [ -0.0042597700000000, 0.0042353900000000, 0.0037669300000000 ] - [ 0.0002396500000000, -0.0002304300000000, 0.0000974400000000 ] - [ 0.0002715400000000, -0.0003703700000000, -0.0005839400000000 ] - [ -0.0000500800000000, -0.0001871600000000, -0.0001958300000000 ] - [ -0.0066679700000000, 0.0013721100000000, 0.0078105400000000 ] - [ -0.0000251100000000, 0.0001601900000000, 0.0002543300000000 ] - [ 0.0000120400000000, -0.0000027300000000, -0.0005053800000000 ] - [ -0.0000913400000000, 0.0000502100000000, -0.0000989200000000 ] - [ -0.0003155600000000, -0.0003470300000000, -0.0001405100000000 ] - [ -0.0000244400000000, -0.0001530500000000, -0.0000181900000000 ] - [ 0.0000956100000000, -0.0000130500000000, 0.0001338100000000 ] - [ -0.0003548000000000, -0.0001182600000000, 0.0002440900000000 ] - [ -0.0049073200000000, -0.0041890400000000, 0.0007281100000000 ] - [ 0.0001325900000000, -0.0001898700000000, 0.0000024600000000 ] - [ 0.0001878400000000, -0.0002057500000000, -0.0005209500000000 ] - [ -0.0001267700000000, -0.0001468400000000, -0.0002534700000000 ] - [ -0.0001625400000000, 0.0000501200000000, 0.0000624100000000 ] - [ 0.0001714500000000, -0.0000411600000000, 0.0001194600000000 ] - [ 0.0001713600000000, -0.0002194200000000, 0.0002065200000000 ] - [ -0.0002734900000000, -0.0002309300000000, 0.0002955300000000 ] - [ -0.0000349200000000, 0.0011563400000000, 0.0003260200000000 ] - [ -0.0000029000000000, 0.0000067000000000, 0.0000711900000000 ] - [ 0.0000772000000000, -0.0002599100000000, -0.0004661700000000 ] - [ -0.0000836300000000, -0.0000484300000000, 0.0000084400000000 ] - [ 0.0002302300000000, 0.0000807400000000, 0.0000895200000000 ] - [ -0.0011753000000000, 0.0005424200000000, -0.0000635200000000 ] - [ -0.0000763000000000, -0.0001489400000000, -0.0002304900000000 ] - [ -0.0000078300000000, -0.0000518400000000, -0.0002032000000000 ] - [ 0.0008145600000000, -0.0002974800000000, 0.0000453300000000 ] - [ 0.0002919600000000, -0.0002508000000000, 0.0017948000000000 ] - [ 0.0003902700000000, 0.0000085100000000, -0.0003725700000000 ] - [ 0.0005852900000000, -0.0000056600000000, -0.0003193800000000 ] - [ -0.0004855000000000, -0.0002672400000000, -0.0001284600000000 ] - [ -0.0004463800000000, -0.0000595700000000, 0.0001005100000000 ] - [ -0.0002981800000000, 0.0002060100000000, -0.0003290600000000 ] - [ -0.0005351000000000, 0.0000092000000000, 0.0001543400000000 ] - [ -0.0004272800000000, 0.0002353100000000, 0.0005415600000000 ] - [ -0.0001095800000000, 0.0001252100000000, 0.0001811000000000 ] - [ -0.0001462700000000, 0.0001954600000000, -0.0000629800000000 ] - [ -0.0002564400000000, 0.0001427200000000, 0.0000531100000000 ] - [ 0.0004336000000000, -0.0008702400000000, 0.0018300800000000 ] - [ 0.0005924000000000, -0.0001320900000000, -0.0002238000000000 ] - [ 0.0003905800000000, -0.0000549500000000, -0.0003078800000000 ] - [ -0.0000982100000000, -0.0000895800000000, -0.0005567900000000 ] - [ -0.0001626800000000, -0.0000986300000000, 0.0004755900000000 ] - [ -0.0001675700000000, -0.0002676800000000, 0.0004910800000000 ] - [ -0.0001943700000000, -0.0001602400000000, 0.0000252900000000 ] - [ -0.0004063100000000, -0.0002275300000000, -0.0000116800000000 ] - [ -0.0002321000000000, -0.0029322900000000, 0.0015776300000000 ] - [ 0.0004092400000000, -0.0002269200000000, -0.0001091500000000 ] - [ 0.0005103500000000, -0.0002649800000000, -0.0003131700000000 ] - [ 0.0001140400000000, -0.0001808600000000, -0.0001536300000000 ] - [ 0.0001693500000000, 0.0000768100000000, 0.0002753300000000 ] - [ 0.0007002200000000, 0.0002394200000000, 0.0003553600000000 ] - [ 0.0008145100000000, 0.0002380700000000, 0.0001504300000000 ] - [ 0.0000318200000000, 0.0002140400000000, 0.0001748100000000 ] - [ -0.0010924200000000, 0.0001881300000000, -0.0007068400000000 ] - [ -0.0001354700000000, 0.0000641200000000, -0.0005278000000000 ] - [ -0.0002069300000000, 0.0001250000000000, -0.0001493000000000 ] - [ -0.0012647300000000, -0.0006239300000000, 0.0036864100000000 ] - [ 0.0246202500000000, 0.0077475400000000, -0.0331638500000000 ] - [ -0.0001498200000000, 0.0001381100000000, -0.0001651500000000 ] - [ -0.0001842400000000, 0.0001755000000000, 0.0004430700000000 ] - [ 0.0001669200000000, 0.0002707900000000, 0.0003946900000000 ] - [ 0.0001508600000000, 0.0000716300000000, -0.0002697500000000 ] - [ -0.0004911300000000, -0.0000614600000000, -0.0001140500000000 ] - [ -0.0000697000000000, -0.0000527500000000, -0.0000218700000000 ] - [ 0.0002031200000000, 0.0000278800000000, 0.0001224300000000 ] - [ -0.0029097200000000, -0.0000741000000000, -0.0018869100000000 ] - [ -0.0024180500000000, 0.0001039800000000, -0.0012204200000000 ] - [ -0.0003742300000000, 0.0000293100000000, 0.0003094000000000 ] - [ -0.0003208000000000, -0.0000568900000000, 0.0002886000000000 ] - [ 0.0006406700000000, -0.0001421900000000, 0.0000911800000000 ] - [ 0.0002289800000000, -0.0001292200000000, 0.0000229200000000 ] - [ 0.0001138600000000, -0.0003209100000000, 0.0001027200000000 ] - [ 0.0004543000000000, -0.0003611900000000, -0.0000842800000000 ] - [ 0.0008441400000000, -0.0012791800000000, 0.0031250600000000 ] - [ 0.0000002800000000, 0.0001668100000000, 0.0004308000000000 ] - [ -0.0008983700000000, 0.0006878500000000, 0.0013282700000000 ] - [ 0.0002515500000000, 0.0003946600000000, 0.0003018600000000 ] - [ -0.0008224000000000, -0.0004296800000000, -0.0004123600000000 ] - [ -0.0002597800000000, 0.0001691700000000, -0.0006308900000000 ] - [ 0.0000217400000000, 0.0002277300000000, 0.0001336300000000 ] - [ -0.0000554400000000, 0.0001881800000000, -0.0002125100000000 ] - [ 0.0003190900000000, -0.0002766500000000, -0.0000519200000000 ] - [ -0.0011537700000000, -0.0002522600000000, 0.0005125000000000 ] - [ -0.0003155400000000, 0.0001235500000000, -0.0002342800000000 ] - [ 0.0009512400000000, 0.0016977200000000, 0.0020792500000000 ] - [ 0.0012943400000000, -0.0019594200000000, -0.0001269900000000 ] - [ -0.0000326400000000, -0.0000861100000000, 0.0002004900000000 ] - [ -0.0001098800000000, -0.0000567000000000, 0.0006581800000000 ] - [ 0.0001986900000000, -0.0000348300000000, 0.0005912400000000 ]- atom: 113 displacement: [ 0.0045549923526468, 0.0000000000000000, -0.0089023617466001 ] forces: - [ -0.0003664900000000, -0.0003085300000000, 0.0000234200000000 ] - [ 0.0003469500000000, -0.0003418900000000, 0.0015084100000000 ] - [ -0.0003324800000000, -0.0001390900000000, -0.0005155000000000 ] - [ -0.0004878500000000, -0.0001225900000000, -0.0005741700000000 ] - [ -0.0001158700000000, -0.0000170800000000, -0.0004104300000000 ] - [ 0.0003374900000000, 0.0001074100000000, -0.0001024800000000 ] - [ 0.0003185200000000, 0.0000912400000000, -0.0000872900000000 ] - [ -0.0003236500000000, 0.0000673400000000, 0.0000120200000000 ] - [ 0.0020840800000000, 0.0023350500000000, -0.0049403100000000 ] - [ 0.0000898300000000, 0.0000018800000000, 0.0002746800000000 ] - [ 0.0001355900000000, -0.0002496500000000, -0.0002597200000000 ] - [ -0.0006404500000000, -0.0000358200000000, 0.0003511200000000 ] - [ 0.0011996000000000, -0.0013761500000000, -0.0016014900000000 ] - [ 0.0005818800000000, -0.0001671600000000, 0.0003458000000000 ] - [ 0.0014820300000000, 0.0009961300000000, -0.0019541600000000 ] - [ -0.0002227100000000, -0.0002521000000000, 0.0004288300000000 ] - [ -0.0008788900000000, -0.0010226200000000, -0.0012348900000000 ] - [ 0.0005878400000000, -0.0004825100000000, -0.0000946600000000 ] - [ 0.0010840600000000, -0.0005707000000000, 0.0001958600000000 ] - [ -0.0021930800000000, 0.0004506800000000, -0.0017243400000000 ] - [ -0.0012660100000000, -0.0006618400000000, 0.0010278200000000 ] - [ 0.0001718500000000, -0.0001542900000000, -0.0000723900000000 ] - [ -0.0001566500000000, -0.0002026400000000, -0.0003488200000000 ] - [ -0.0005415800000000, -0.0001779700000000, -0.0002000200000000 ] - [ 0.0011473500000000, 0.0054649200000000, 0.0011897000000000 ] - [ 0.0003812400000000, -0.0001704400000000, 0.0004271500000000 ] - [ 0.0004321500000000, -0.0001898200000000, 0.0000183100000000 ] - [ 0.0000423900000000, -0.0001308600000000, 0.0002703600000000 ] - [ -0.0003335100000000, -0.0000429400000000, -0.0005351900000000 ] - [ 0.0008255700000000, -0.0010995800000000, -0.0001629600000000 ] - [ -0.0000900600000000, -0.0002245100000000, -0.0003875100000000 ] - [ -0.0002975500000000, -0.0001887500000000, -0.0005616300000000 ] - [ 0.0001637300000000, -0.0010459400000000, -0.0005673500000000 ] - [ -0.0002600900000000, 0.0002575500000000, -0.0001481100000000 ] - [ -0.0012239500000000, -0.0001116300000000, 0.0005471700000000 ] - [ 0.0013509300000000, -0.0003505600000000, 0.0007550000000000 ] - [ -0.0000398600000000, 0.0003591000000000, -0.0001760300000000 ] - [ 0.0001109900000000, -0.0000466700000000, -0.0005025600000000 ] - [ 0.0000295600000000, 0.0002455400000000, 0.0002633500000000 ] - [ 0.0001471900000000, 0.0002630700000000, 0.0002784400000000 ] - [ 0.0005393100000000, 0.0002008000000000, -0.0005119100000000 ] - [ -0.0004599200000000, 0.0001093200000000, -0.0004724300000000 ] - [ 0.0000928200000000, 0.0002317400000000, 0.0003317500000000 ] - [ 0.0001740600000000, 0.0002527200000000, 0.0002027600000000 ] - [ -0.0001053100000000, 0.0004509100000000, 0.0001488500000000 ] - [ -0.0002457700000000, 0.0002633200000000, 0.0000055600000000 ] - [ -0.0001880900000000, -0.0000410600000000, 0.0006438800000000 ] - [ -0.0000789100000000, 0.0002565000000000, -0.0000602000000000 ] - [ 0.0000541400000000, 0.0001764500000000, -0.0001868100000000 ] - [ 0.0000203400000000, 0.0001869300000000, -0.0003792900000000 ] - [ 0.0000406400000000, -0.0000330200000000, 0.0001725000000000 ] - [ 0.0000735200000000, 0.0000698800000000, 0.0002506800000000 ] - [ 0.0047335000000000, -0.0047604600000000, -0.0041701800000000 ] - [ 0.0000047000000000, -0.0001637700000000, -0.0002694300000000 ] - [ -0.0000261700000000, -0.0000254600000000, 0.0004105900000000 ] - [ 0.0002957400000000, -0.0002076900000000, 0.0000240700000000 ] - [ 0.0061583700000000, -0.0010986300000000, -0.0074732100000000 ] - [ -0.0001458200000000, 0.0001769700000000, -0.0002290400000000 ] - [ -0.0001834500000000, 0.0003389200000000, 0.0005311500000000 ] - [ -0.0000798900000000, 0.0002866900000000, 0.0001248700000000 ] - [ 0.0000711400000000, -0.0000460200000000, 0.0003131900000000 ] - [ -0.0002205500000000, -0.0002413600000000, 0.0001903400000000 ] - [ -0.0003405500000000, -0.0003813500000000, 0.0000379400000000 ] - [ 0.0001113800000000, -0.0002762000000000, -0.0000728400000000 ] - [ 0.0050409100000000, 0.0040881100000000, -0.0010582300000000 ] - [ -0.0001230100000000, -0.0000302500000000, -0.0002965400000000 ] - [ -0.0001780000000000, -0.0000119400000000, 0.0002286500000000 ] - [ 0.0001379100000000, -0.0000716300000000, -0.0000398900000000 ] - [ 0.0001498600000000, -0.0002679700000000, 0.0002303200000000 ] - [ -0.0001828000000000, -0.0001787100000000, 0.0001749400000000 ] - [ -0.0001817700000000, -0.0000003700000000, 0.0000877100000000 ] - [ 0.0002651200000000, 0.0000126900000000, -0.0000016800000000 ] - [ -0.0000304300000000, -0.0011875400000000, -0.0003458300000000 ] - [ -0.0000637600000000, -0.0000520800000000, -0.0000975600000000 ] - [ -0.0001450500000000, 0.0002155000000000, 0.0004421700000000 ] - [ 0.0000164300000000, 0.0000026800000000, -0.0000335900000000 ] - [ -0.0001623200000000, -0.0001268900000000, -0.0000638400000000 ] - [ 0.0012594600000000, -0.0006009700000000, 0.0000888200000000 ] - [ 0.0001448400000000, 0.0001037100000000, 0.0002560600000000 ] - [ 0.0000767900000000, 0.0000065800000000, 0.0002292300000000 ] - [ 0.0001336000000000, 0.0001747600000000, -0.0001821300000000 ] - [ 0.0006485400000000, 0.0001196500000000, -0.0019320400000000 ] - [ 0.0005584800000000, -0.0001321200000000, 0.0002343400000000 ] - [ 0.0003640300000000, -0.0001193800000000, 0.0001838500000000 ] - [ -0.0004692700000000, 0.0001439000000000, 0.0002676800000000 ] - [ -0.0005029800000000, -0.0000647000000000, 0.0000357400000000 ] - [ -0.0006519200000000, -0.0003295800000000, 0.0004639800000000 ] - [ -0.0004148600000000, -0.0001333800000000, -0.0000181900000000 ] - [ -0.0000164400000000, -0.0000771400000000, -0.0002569500000000 ] - [ -0.0003354600000000, 0.0000343400000000, 0.0001053800000000 ] - [ -0.0002983800000000, -0.0000364800000000, 0.0003487000000000 ] - [ -0.0001880100000000, 0.0000160000000000, 0.0002331200000000 ] - [ 0.0000354800000000, 0.0010326800000000, -0.0020902600000000 ] - [ -0.0001476600000000, 0.0002914800000000, -0.0000606900000000 ] - [ 0.0000545200000000, 0.0002145100000000, 0.0000223300000000 ] - [ 0.0005445800000000, 0.0002475200000000, 0.0002744400000000 ] - [ -0.0003707200000000, -0.0002973300000000, -0.0002119600000000 ] - [ -0.0003638400000000, -0.0001273800000000, -0.0002221300000000 ] - [ -0.0003347700000000, -0.0002336000000000, 0.0002407800000000 ] - [ -0.0001193100000000, -0.0001644900000000, 0.0002781300000000 ] - [ 0.0007615700000000, 0.0025281200000000, -0.0018503600000000 ] - [ 0.0001166200000000, -0.0001656500000000, -0.0001569800000000 ] - [ 0.0000163100000000, -0.0001281500000000, 0.0000466800000000 ] - [ 0.0004121000000000, -0.0002120900000000, -0.0001121900000000 ] - [ 0.0006439400000000, 0.0002559300000000, 0.0003011800000000 ] - [ 0.0001110200000000, 0.0000925600000000, 0.0002219800000000 ] - [ 0.0000006900000000, 0.0000929400000000, 0.0004260400000000 ] - [ 0.0007806500000000, 0.0001174200000000, 0.0004022500000000 ] - [ 0.0002849000000000, 0.0001437900000000, 0.0001319600000000 ] - [ -0.0006762300000000, 0.0002681700000000, -0.0000483400000000 ] - [ -0.0006066600000000, 0.0002070100000000, -0.0004277100000000 ] - [ 0.0004333400000000, 0.0010181400000000, -0.0044536600000000 ] - [ -0.0246889900000000, -0.0075095500000000, 0.0334073600000000 ] - [ 0.0001948600000000, 0.0000964400000000, 0.0001876800000000 ] - [ 0.0002281800000000, 0.0000585000000000, -0.0004210700000000 ] - [ -0.0001222200000000, -0.0000352500000000, -0.0003733900000000 ] - [ -0.0001957500000000, 0.0001638700000000, 0.0002483300000000 ] - [ 0.0004455600000000, 0.0002942600000000, 0.0000892100000000 ] - [ 0.0000256900000000, 0.0002876200000000, -0.0000003000000000 ] - [ -0.0002482000000000, 0.0002066300000000, -0.0001453400000000 ] - [ 0.0021602300000000, -0.0001496700000000, 0.0018637200000000 ] - [ 0.0016544300000000, -0.0003272400000000, 0.0011779600000000 ] - [ -0.0003827400000000, -0.0002552300000000, -0.0003432300000000 ] - [ -0.0004367300000000, -0.0001686000000000, -0.0003232600000000 ] - [ 0.0001171400000000, -0.0000836100000000, -0.0000581800000000 ] - [ 0.0005286000000000, -0.0000962500000000, 0.0000111700000000 ] - [ 0.0006432500000000, 0.0000960500000000, -0.0000684400000000 ] - [ 0.0003027100000000, 0.0001349000000000, 0.0001179400000000 ] - [ -0.0006534200000000, 0.0016526200000000, -0.0023330500000000 ] - [ 0.0001811000000000, 0.0002258000000000, 0.0003309200000000 ] - [ 0.0010826700000000, -0.0002947500000000, -0.0005715600000000 ] - [ -0.0000685200000000, -0.0000020500000000, 0.0004623200000000 ] - [ 0.0006419900000000, 0.0008229200000000, -0.0003513000000000 ] - [ 0.0000815600000000, 0.0002210600000000, -0.0001279000000000 ] - [ -0.0002025300000000, 0.0001656000000000, -0.0008950400000000 ] - [ -0.0001268000000000, 0.0002044900000000, -0.0005484700000000 ] - [ -0.0005586200000000, 0.0003157700000000, -0.0005016000000000 ] - [ 0.0009167500000000, 0.0002887700000000, -0.0010661000000000 ] - [ 0.0000784400000000, -0.0000864600000000, -0.0003186400000000 ] - [ -0.0011950100000000, -0.0016734800000000, -0.0026584100000000 ] - [ -0.0010633000000000, 0.0019985400000000, 0.0006870100000000 ] - [ 0.0002709100000000, 0.0001237100000000, 0.0003520000000000 ] - [ 0.0003471200000000, 0.0000932700000000, -0.0001061700000000 ] - [ 0.0000383500000000, 0.0000712900000000, -0.0000380500000000 ]- atom: 121 displacement: [ 0.0099999730884809, 0.0000000000000000, -0.0000231997770880 ] forces: - [ -0.0033930900000000, -0.0027669900000000, 0.0011492600000000 ] - [ 0.0000463000000000, 0.0001470000000000, -0.0001066400000000 ] - [ -0.0003128000000000, -0.0001053800000000, -0.0002956800000000 ] - [ -0.0003247200000000, 0.0000408100000000, 0.0001429700000000 ] - [ -0.0002304200000000, -0.0001178100000000, -0.0005109900000000 ] - [ 0.0002270400000000, -0.0000121700000000, -0.0000290700000000 ] - [ 0.0003170000000000, -0.0005452200000000, -0.0006240900000000 ] - [ 0.0001885900000000, -0.0000408600000000, -0.0002112800000000 ] - [ 0.0016052500000000, -0.0009135600000000, 0.0031577500000000 ] - [ 0.0002593200000000, -0.0000327700000000, 0.0002651300000000 ] - [ 0.0003036600000000, 0.0000018400000000, 0.0001252200000000 ] - [ -0.0009182300000000, 0.0002590800000000, 0.0006684400000000 ] - [ 0.0011025900000000, 0.0000996200000000, -0.0001172000000000 ] - [ 0.0009891300000000, 0.0002704200000000, 0.0011336500000000 ] - [ -0.0009085300000000, -0.0002043400000000, 0.0009128500000000 ] - [ 0.0006673700000000, -0.0000591100000000, -0.0002025700000000 ] - [ -0.0000236400000000, -0.0035735900000000, -0.0009794700000000 ] - [ 0.0009721900000000, -0.0001737900000000, 0.0001233200000000 ] - [ -0.0001708100000000, 0.0000407700000000, -0.0002146700000000 ] - [ 0.0010650600000000, -0.0004702600000000, 0.0005854300000000 ] - [ -0.0012242000000000, 0.0004016100000000, 0.0001760300000000 ] - [ 0.0005094600000000, -0.0002751000000000, -0.0004320600000000 ] - [ -0.0002482000000000, -0.0002143600000000, -0.0000445400000000 ] - [ -0.0003582700000000, -0.0002254300000000, -0.0000130000000000 ] - [ 0.0005561600000000, -0.0002153000000000, 0.0003183200000000 ] - [ 0.0013466400000000, -0.0035520200000000, 0.0000515200000000 ] - [ 0.0001553800000000, -0.0001024700000000, 0.0005322000000000 ] - [ 0.0001682700000000, -0.0001524900000000, 0.0002159600000000 ] - [ -0.0023151500000000, 0.0026738600000000, 0.0030931900000000 ] - [ 0.0001944300000000, -0.0002739800000000, -0.0004746700000000 ] - [ -0.0001957700000000, -0.0001627500000000, -0.0003772400000000 ] - [ -0.0002130400000000, -0.0002137800000000, -0.0001824100000000 ] - [ -0.0006395900000000, 0.0003521400000000, 0.0000003000000000 ] - [ -0.0003808000000000, 0.0001657600000000, -0.0003429600000000 ] - [ 0.0007162600000000, 0.0002665800000000, -0.0001866500000000 ] - [ -0.0006243600000000, 0.0003193500000000, -0.0002335000000000 ] - [ 0.0021026300000000, 0.0011884000000000, -0.0004043700000000 ] - [ -0.0001821400000000, 0.0001270800000000, 0.0000823200000000 ] - [ 0.0000397500000000, 0.0002043300000000, 0.0001344700000000 ] - [ 0.0001803000000000, 0.0001463700000000, -0.0000337900000000 ] - [ 0.0014192000000000, 0.0004520500000000, 0.0003559000000000 ] - [ -0.0004296500000000, 0.0002322600000000, 0.0001230900000000 ] - [ 0.0001535600000000, 0.0002269900000000, 0.0000504600000000 ] - [ -0.0000606400000000, 0.0001581600000000, -0.0001635300000000 ] - [ -0.0004154800000000, 0.0005795100000000, 0.0002796300000000 ] - [ -0.0005166200000000, 0.0001921300000000, -0.0003530300000000 ] - [ 0.0005771900000000, 0.0000540000000000, -0.0000272100000000 ] - [ -0.0001891800000000, 0.0002421700000000, 0.0000897700000000 ] - [ 0.0007662800000000, 0.0000747800000000, -0.0007854900000000 ] - [ -0.0001401600000000, 0.0002529100000000, 0.0000324300000000 ] - [ 0.0001250500000000, 0.0002636000000000, -0.0000094700000000 ] - [ 0.0000782000000000, 0.0001215100000000, -0.0000618100000000 ] - [ 0.0026291900000000, 0.0023251300000000, 0.0001991700000000 ] - [ -0.0002077200000000, -0.0001859500000000, 0.0000918400000000 ] - [ -0.0000674300000000, -0.0001884600000000, 0.0000515300000000 ] - [ 0.0003461800000000, -0.0003407300000000, -0.0003909000000000 ] - [ -0.0004810300000000, -0.0000077200000000, 0.0001024400000000 ] - [ 0.0051795700000000, 0.0010534200000000, 0.0050939800000000 ] - [ 0.0000823400000000, -0.0000238900000000, -0.0004328600000000 ] - [ -0.0001334300000000, 0.0001499900000000, 0.0001336200000000 ] - [ 0.0000985200000000, -0.0000254000000000, 0.0002251800000000 ] - [ -0.0002559800000000, -0.0002299400000000, -0.0000226800000000 ] - [ -0.0000078500000000, -0.0002332500000000, 0.0003896700000000 ] - [ -0.0002784000000000, -0.0000753200000000, 0.0000066600000000 ] - [ 0.0075759300000000, -0.0077482300000000, 0.0016583700000000 ] - [ -0.0003088000000000, -0.0001789100000000, -0.0000101600000000 ] - [ -0.0001574800000000, -0.0001735500000000, -0.0000986300000000 ] - [ 0.0002837900000000, -0.0000458300000000, -0.0003114800000000 ] - [ 0.0001209400000000, -0.0000660100000000, 0.0001804600000000 ] - [ -0.0001212700000000, -0.0000287200000000, 0.0001180400000000 ] - [ 0.0001024600000000, 0.0000742800000000, 0.0004591200000000 ] - [ -0.0001814400000000, -0.0002630000000000, 0.0001570900000000 ] - [ -0.0002179100000000, -0.0000697700000000, -0.0000172600000000 ] - [ 0.0000271300000000, 0.0008918300000000, -0.0004676700000000 ] - [ 0.0000715200000000, -0.0002226300000000, -0.0002473200000000 ] - [ -0.0000665700000000, 0.0000321800000000, 0.0000693400000000 ] - [ 0.0078917800000000, 0.0043672500000000, -0.0039452000000000 ] - [ -0.0003259900000000, 0.0001918600000000, -0.0000124500000000 ] - [ 0.0000744600000000, -0.0000340700000000, 0.0000468800000000 ] - [ 0.0000324100000000, -0.0000223500000000, -0.0001035700000000 ] - [ 0.0068457600000000, -0.0015266400000000, -0.0048084600000000 ] - [ 0.0001479800000000, -0.0002388900000000, -0.0000501500000000 ] - [ 0.0005129400000000, -0.0001572500000000, 0.0000592700000000 ] - [ 0.0003776100000000, -0.0000371300000000, -0.0002723700000000 ] - [ -0.0007031000000000, 0.0001143000000000, 0.0002401400000000 ] - [ -0.0004538800000000, -0.0003048100000000, -0.0004904400000000 ] - [ -0.0002181300000000, 0.0001651000000000, -0.0004174600000000 ] - [ -0.0006016500000000, -0.0000125400000000, 0.0002032600000000 ] - [ -0.0000123900000000, 0.0002929900000000, 0.0000641400000000 ] - [ -0.0004463700000000, 0.0000403400000000, 0.0001878500000000 ] - [ -0.0002614200000000, 0.0001110100000000, 0.0002081900000000 ] - [ -0.0001909400000000, 0.0000961600000000, 0.0000590800000000 ] - [ 0.0047259500000000, 0.0024096300000000, -0.0030065000000000 ] - [ -0.0001356600000000, 0.0000247800000000, -0.0002589500000000 ] - [ 0.0003100900000000, -0.0000365500000000, -0.0000179600000000 ] - [ 0.0000829100000000, 0.0001037100000000, -0.0003287100000000 ] - [ 0.0026695900000000, -0.0006814000000000, -0.0002954200000000 ] - [ -0.0008456600000000, -0.0002377700000000, 0.0001854700000000 ] - [ -0.0002463800000000, -0.0001717700000000, 0.0001714400000000 ] - [ -0.0002646100000000, -0.0001842400000000, 0.0000730100000000 ] - [ 0.0000391200000000, -0.0005346200000000, -0.0000409900000000 ] - [ -0.0007377800000000, 0.0003380100000000, -0.0001358000000000 ] - [ 0.0003109100000000, -0.0001937400000000, -0.0001550300000000 ] - [ 0.0002734300000000, -0.0002114100000000, -0.0000964500000000 ] - [ 0.0004106200000000, 0.0002462800000000, 0.0002496400000000 ] - [ 0.0002886600000000, 0.0001356200000000, 0.0003779500000000 ] - [ 0.0001252600000000, 0.0001843900000000, 0.0002430900000000 ] - [ 0.0008875700000000, 0.0001464800000000, 0.0002906900000000 ] - [ 0.0004767100000000, 0.0000629000000000, -0.0002067200000000 ] - [ -0.0008481900000000, 0.0001531500000000, -0.0003188700000000 ] - [ -0.0006343900000000, 0.0000009300000000, -0.0001352300000000 ] - [ -0.0014886100000000, 0.0004015700000000, -0.0007285300000000 ] - [ 0.0052386100000000, 0.0000882000000000, -0.0001429600000000 ] - [ 0.0037914700000000, 0.0002080900000000, -0.0003585500000000 ] - [ 0.0000630600000000, 0.0001505200000000, 0.0000373300000000 ] - [ -0.0000777800000000, 0.0002171800000000, 0.0000261400000000 ] - [ -0.0006442600000000, 0.0000578100000000, -0.0000387900000000 ] - [ 0.0003024800000000, 0.0000527100000000, -0.0000149800000000 ] - [ 0.0001120200000000, 0.0000265700000000, -0.0002408900000000 ] - [ 0.0000421000000000, 0.0001068200000000, 0.0001062200000000 ] - [ -0.0437884900000000, 0.0032850400000000, -0.0000495800000000 ] - [ 0.0000643400000000, -0.0000788600000000, -0.0000153700000000 ] - [ -0.0003959000000000, -0.0000234200000000, -0.0001760100000000 ] - [ -0.0003128900000000, -0.0001069500000000, 0.0002025400000000 ] - [ 0.0003123800000000, -0.0002306200000000, -0.0000713700000000 ] - [ 0.0008042800000000, -0.0003137000000000, 0.0001642700000000 ] - [ 0.0001043900000000, -0.0002334800000000, -0.0000837400000000 ] - [ 0.0004351800000000, -0.0001722900000000, 0.0000023400000000 ] - [ 0.0006761300000000, 0.0007458700000000, -0.0000907100000000 ] - [ 0.0008905600000000, -0.0000755300000000, 0.0011084200000000 ] - [ -0.0016229200000000, 0.0006197000000000, 0.0003249400000000 ] - [ 0.0003170800000000, 0.0002141100000000, 0.0003452100000000 ] - [ -0.0021261300000000, -0.0000802100000000, -0.0004864600000000 ] - [ 0.0002590900000000, 0.0001362100000000, -0.0003537100000000 ] - [ -0.0001056600000000, 0.0000502200000000, -0.0005214600000000 ] - [ -0.0000046400000000, 0.0002240600000000, -0.0001399000000000 ] - [ -0.0019478400000000, 0.0003671900000000, -0.0001306200000000 ] - [ 0.0002003200000000, 0.0000211000000000, -0.0002605600000000 ] - [ 0.0003910400000000, -0.0000028900000000, -0.0008865000000000 ] - [ 0.0006481100000000, 0.0006181500000000, 0.0004511100000000 ] - [ 0.0008197800000000, -0.0008586800000000, 0.0004997100000000 ] - [ 0.0008865500000000, 0.0005445000000000, -0.0000223800000000 ] - [ 0.0002964700000000, -0.0000393000000000, 0.0002717400000000 ] - [ -0.0001466100000000, -0.0000905200000000, 0.0003899900000000 ]- atom: 121 displacement: [ -0.0099999730884809, 0.0000000000000000, 0.0000231997770880 ] forces: - [ 0.0025815300000000, 0.0025812500000000, -0.0014383600000000 ] - [ -0.0008344400000000, -0.0003380100000000, -0.0001932100000000 ] - [ -0.0004788200000000, -0.0000813000000000, -0.0000041100000000 ] - [ -0.0004631400000000, -0.0002285400000000, -0.0004419300000000 ] - [ 0.0003932500000000, 0.0001304400000000, 0.0001391300000000 ] - [ -0.0000637100000000, 0.0000232500000000, -0.0003420000000000 ] - [ -0.0001543800000000, 0.0005593700000000, 0.0002555600000000 ] - [ -0.0000221200000000, 0.0000518300000000, -0.0001608500000000 ] - [ -0.0017752700000000, 0.0009279400000000, -0.0027929400000000 ] - [ -0.0004223800000000, 0.0000439100000000, 0.0001040800000000 ] - [ -0.0004648500000000, 0.0000087200000000, 0.0002438200000000 ] - [ 0.0007568700000000, -0.0002483100000000, -0.0003002400000000 ] - [ -0.0003117000000000, -0.0002881500000000, 0.0004234500000000 ] - [ -0.0001983000000000, -0.0004554700000000, -0.0008267800000000 ] - [ 0.0017052500000000, 0.0000227300000000, -0.0006117400000000 ] - [ 0.0001184100000000, -0.0001272900000000, 0.0005030400000000 ] - [ 0.0006807100000000, 0.0031428000000000, 0.0011222400000000 ] - [ -0.0003138600000000, -0.0002621800000000, 0.0000182900000000 ] - [ 0.0008196500000000, -0.0004735700000000, 0.0003572200000000 ] - [ -0.0004104500000000, 0.0000345700000000, -0.0004433900000000 ] - [ 0.0005834200000000, -0.0008384300000000, -0.0003054500000000 ] - [ -0.0011650500000000, -0.0001671900000000, 0.0002908900000000 ] - [ -0.0004084900000000, -0.0002252400000000, -0.0000973000000000 ] - [ -0.0002967000000000, -0.0002176500000000, -0.0001268100000000 ] - [ -0.0001444700000000, -0.0000846700000000, 0.0003442500000000 ] - [ -0.0009294100000000, 0.0032361000000000, 0.0006054500000000 ] - [ 0.0002585100000000, -0.0001975900000000, 0.0001303800000000 ] - [ 0.0002444400000000, -0.0001472700000000, 0.0004457100000000 ] - [ 0.0018788200000000, -0.0029654800000000, -0.0037321700000000 ] - [ -0.0006076700000000, -0.0000255800000000, -0.0001905200000000 ] - [ -0.0002194700000000, -0.0001377500000000, -0.0002839800000000 ] - [ -0.0002000800000000, -0.0000873500000000, -0.0004798000000000 ] - [ 0.0004086400000000, 0.0000265000000000, -0.0001616700000000 ] - [ 0.0001464500000000, 0.0002120100000000, 0.0001802000000000 ] - [ -0.0009507800000000, 0.0001117500000000, 0.0000249200000000 ] - [ 0.0003954200000000, 0.0000591200000000, 0.0000722300000000 ] - [ -0.0018715900000000, -0.0008213500000000, 0.0005520000000000 ] - [ 0.0004152300000000, 0.0002527000000000, 0.0000794300000000 ] - [ 0.0001921100000000, 0.0001748600000000, 0.0000258700000000 ] - [ 0.0000518300000000, 0.0002331700000000, 0.0001949900000000 ] - [ -0.0012212500000000, -0.0000007200000000, -0.0003332500000000 ] - [ 0.0006217100000000, 0.0002165700000000, -0.0001013800000000 ] - [ 0.0000368500000000, 0.0002210700000000, -0.0000301900000000 ] - [ 0.0002506900000000, 0.0002893100000000, 0.0001828200000000 ] - [ 0.0002150800000000, -0.0001258000000000, -0.0002953500000000 ] - [ 0.0003230100000000, 0.0002563600000000, 0.0003305500000000 ] - [ -0.0007652500000000, 0.0003944600000000, 0.0000022800000000 ] - [ 0.0000001400000000, 0.0002057000000000, -0.0001104000000000 ] - [ -0.0005971300000000, 0.0002585300000000, 0.0007530400000000 ] - [ 0.0003073700000000, 0.0000805800000000, -0.0000580900000000 ] - [ 0.0000440600000000, 0.0000710700000000, -0.0000170000000000 ] - [ 0.0000898300000000, 0.0002130100000000, 0.0000350900000000 ] - [ -0.0024860900000000, -0.0027798900000000, -0.0004837600000000 ] - [ 0.0004543700000000, -0.0002055900000000, -0.0002645400000000 ] - [ 0.0003138800000000, -0.0002040200000000, -0.0002256100000000 ] - [ -0.0000998700000000, -0.0000506000000000, 0.0002155300000000 ] - [ 0.0003131000000000, 0.0003434400000000, -0.0000776500000000 ] - [ -0.0051899900000000, -0.0007497600000000, -0.0048937300000000 ] - [ -0.0002511700000000, 0.0003587800000000, 0.0004604000000000 ] - [ -0.0000347400000000, 0.0001842200000000, -0.0001079800000000 ] - [ -0.0003466400000000, -0.0003673700000000, -0.0000511900000000 ] - [ 0.0000086200000000, -0.0001622000000000, 0.0001960200000000 ] - [ -0.0002395400000000, -0.0001619100000000, -0.0002168700000000 ] - [ 0.0000294800000000, -0.0003170400000000, 0.0001665400000000 ] - [ -0.0077565300000000, 0.0077652800000000, -0.0020670500000000 ] - [ 0.0003196100000000, -0.0000417500000000, -0.0002813000000000 ] - [ 0.0001681200000000, -0.0000457100000000, -0.0001945700000000 ] - [ -0.0002725500000000, -0.0001739200000000, 0.0000174200000000 ] - [ -0.0001327000000000, -0.0001526300000000, 0.0001117900000000 ] - [ 0.0001092800000000, -0.0001905400000000, 0.0001746700000000 ] - [ -0.0001147500000000, -0.0002943900000000, -0.0001670800000000 ] - [ 0.0001684100000000, 0.0000431500000000, 0.0001363000000000 ] - [ 0.0001500200000000, 0.0000239900000000, -0.0000078300000000 ] - [ -0.0000964600000000, -0.0009302400000000, 0.0004409200000000 ] - [ -0.0001400100000000, 0.0001778700000000, 0.0002231000000000 ] - [ -0.0000013100000000, -0.0000772800000000, -0.0000951800000000 ] - [ -0.0076093500000000, -0.0042158700000000, 0.0038757900000000 ] - [ 0.0003969600000000, -0.0002402100000000, 0.0000391100000000 ] - [ -0.0000039500000000, -0.0000114400000000, -0.0000220500000000 ] - [ 0.0000372300000000, -0.0000234300000000, 0.0001282400000000 ] - [ -0.0057706300000000, 0.0012951900000000, 0.0045297600000000 ] - [ 0.0007987200000000, 0.0001181600000000, -0.0000865200000000 ] - [ 0.0004341200000000, 0.0000365300000000, -0.0001974000000000 ] - [ 0.0005690100000000, -0.0000824600000000, 0.0001345500000000 ] - [ -0.0002424700000000, -0.0002354100000000, -0.0001040300000000 ] - [ -0.0004914900000000, 0.0001829800000000, 0.0006256000000000 ] - [ -0.0007278500000000, -0.0002873600000000, 0.0005559400000000 ] - [ -0.0003447900000000, -0.0001073400000000, -0.0000650600000000 ] - [ -0.0004344800000000, -0.0001442000000000, 0.0002209200000000 ] - [ 0.0000042900000000, 0.0001133200000000, 0.0001013900000000 ] - [ -0.0001810200000000, 0.0000427500000000, 0.0000793800000000 ] - [ -0.0002513000000000, 0.0000574800000000, 0.0002285000000000 ] - [ -0.0043942000000000, -0.0022716100000000, 0.0028750900000000 ] - [ 0.0005769300000000, 0.0001281600000000, -0.0000287900000000 ] - [ 0.0001316300000000, 0.0001880100000000, -0.0002688800000000 ] - [ 0.0003590700000000, 0.0000520100000000, 0.0000422200000000 ] - [ -0.0031913400000000, 0.0003012100000000, 0.0005608300000000 ] - [ 0.0003169600000000, -0.0001530700000000, 0.0000762300000000 ] - [ -0.0002799900000000, -0.0002186600000000, 0.0000901600000000 ] - [ -0.0002666100000000, -0.0002070300000000, 0.0001885200000000 ] - [ 0.0004940600000000, 0.0001459300000000, -0.0002232000000000 ] - [ 0.0012637100000000, -0.0007273100000000, -0.0001271600000000 ] - [ 0.0002178300000000, -0.0001969500000000, -0.0001073500000000 ] - [ 0.0002553500000000, -0.0001793100000000, -0.0001659200000000 ] - [ 0.0003999600000000, 0.0000826800000000, 0.0003211500000000 ] - [ 0.0005269800000000, 0.0001936700000000, 0.0001932000000000 ] - [ 0.0006902700000000, 0.0001451500000000, 0.0003289200000000 ] - [ -0.0000696300000000, 0.0001838200000000, 0.0002814900000000 ] - [ -0.0012940500000000, 0.0002656000000000, -0.0003670000000000 ] - [ 0.0000313600000000, 0.0001763600000000, -0.0002535500000000 ] - [ -0.0001793900000000, 0.0003285200000000, -0.0004354900000000 ] - [ 0.0006723100000000, -0.0000733500000000, 0.0001566400000000 ] - [ -0.0052660600000000, 0.0001561500000000, 0.0001637400000000 ] - [ -0.0036929300000000, 0.0000331700000000, 0.0003769300000000 ] - [ -0.0000191700000000, 0.0000904100000000, -0.0000151600000000 ] - [ 0.0001210200000000, 0.0000230100000000, -0.0000035800000000 ] - [ 0.0005951300000000, 0.0001828400000000, 0.0000099100000000 ] - [ -0.0003461800000000, 0.0001878300000000, -0.0000076900000000 ] - [ -0.0001564800000000, 0.0002141900000000, 0.0002197100000000 ] - [ -0.0000864600000000, 0.0001341500000000, -0.0001273300000000 ] - [ 0.0429954300000000, -0.0037327900000000, 0.0001342400000000 ] - [ -0.0008217200000000, -0.0001470300000000, -0.0000241800000000 ] - [ -0.0003620800000000, -0.0002016700000000, 0.0001369100000000 ] - [ -0.0004441400000000, -0.0001184700000000, -0.0002412500000000 ] - [ 0.0004463900000000, 0.0000044500000000, 0.0001099500000000 ] - [ -0.0000453100000000, 0.0000878000000000, -0.0001246500000000 ] - [ 0.0006536400000000, 0.0000076900000000, 0.0001229600000000 ] - [ 0.0003225100000000, -0.0000530500000000, 0.0000366100000000 ] - [ -0.0004973700000000, -0.0003553200000000, 0.0008548200000000 ] - [ -0.0007100600000000, 0.0004641700000000, -0.0003450300000000 ] - [ 0.0018026500000000, -0.0002264100000000, 0.0004422600000000 ] - [ -0.0001375200000000, 0.0001748400000000, 0.0004176900000000 ] - [ 0.0019432600000000, 0.0004627100000000, -0.0002728300000000 ] - [ -0.0004377500000000, 0.0002534900000000, -0.0004095000000000 ] - [ -0.0000731500000000, 0.0003383600000000, -0.0002419300000000 ] - [ -0.0001733700000000, 0.0001656300000000, -0.0006225100000000 ] - [ 0.0017076500000000, -0.0003338900000000, -0.0004317300000000 ] - [ -0.0004361300000000, 0.0000120700000000, -0.0002949300000000 ] - [ -0.0006296600000000, 0.0000339200000000, 0.0003313600000000 ] - [ -0.0008850600000000, -0.0005850800000000, -0.0010075900000000 ] - [ -0.0005839100000000, 0.0008932400000000, 0.0000557400000000 ] - [ -0.0006497100000000, -0.0005107000000000, 0.0005782700000000 ] - [ -0.0000601900000000, 0.0000713200000000, 0.0002847000000000 ] - [ 0.0003814500000000, 0.0001237100000000, 0.0001665700000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020995200000000, 0.0033724900000000, 0.0018277100000000 ] - [ -0.0004139900000000, -0.0000774500000000, -0.0001594500000000 ] - [ -0.0004013000000000, -0.0000916800000000, -0.0001398500000000 ] - [ -0.0004440500000000, -0.0001085200000000, -0.0000872700000000 ] - [ -0.0000301900000000, 0.0002214300000000, -0.0000646000000000 ] - [ 0.0001090000000000, 0.0001227400000000, -0.0001740000000000 ] - [ -0.0003680600000000, 0.0006957000000000, 0.0000077300000000 ] - [ 0.0007430000000000, 0.0000093600000000, -0.0003920700000000 ] - [ -0.0005469000000000, -0.0032404700000000, -0.0014213800000000 ] - [ 0.0000450900000000, -0.0000025600000000, 0.0003054000000000 ] - [ -0.0000227500000000, -0.0000248300000000, 0.0001825700000000 ] - [ -0.0000100900000000, -0.0001732700000000, 0.0001695500000000 ] - [ 0.0001472200000000, -0.0001157400000000, 0.0000670900000000 ] - [ 0.0009049400000000, -0.0011005200000000, 0.0012116500000000 ] - [ -0.0000830600000000, 0.0002986400000000, 0.0000183300000000 ] - [ 0.0003833800000000, -0.0001171800000000, 0.0001587700000000 ] - [ -0.0016942900000000, -0.0014483600000000, 0.0014420100000000 ] - [ 0.0006594200000000, -0.0005069900000000, -0.0000723100000000 ] - [ 0.0012410800000000, -0.0001755800000000, -0.0002512400000000 ] - [ 0.0001064300000000, -0.0000311500000000, -0.0000915600000000 ] - [ 0.0032243400000000, 0.0017733300000000, 0.0019039700000000 ] - [ -0.0005568800000000, -0.0000520600000000, -0.0000768300000000 ] - [ -0.0003379300000000, -0.0001933300000000, -0.0000271700000000 ] - [ -0.0003585200000000, -0.0001979800000000, -0.0000948400000000 ] - [ 0.0005568900000000, -0.0002389400000000, 0.0002926100000000 ] - [ -0.0015338300000000, 0.0008413700000000, -0.0011954700000000 ] - [ 0.0001874300000000, -0.0002496600000000, 0.0004105600000000 ] - [ 0.0002009300000000, -0.0001851900000000, 0.0003337000000000 ] - [ 0.0036766100000000, 0.0028037700000000, 0.0014068500000000 ] - [ -0.0001661700000000, -0.0000961900000000, -0.0003303300000000 ] - [ -0.0000349500000000, -0.0001462100000000, -0.0003058600000000 ] - [ -0.0003200500000000, -0.0001717000000000, -0.0003529500000000 ] - [ -0.0002137700000000, 0.0004584000000000, -0.0001547100000000 ] - [ -0.0003816900000000, 0.0004949200000000, -0.0005309700000000 ] - [ -0.0002039100000000, 0.0000623500000000, 0.0001250600000000 ] - [ -0.0000655300000000, 0.0001431600000000, -0.0000418400000000 ] - [ 0.0015665400000000, 0.0081058400000000, -0.0045011400000000 ] - [ 0.0001034700000000, 0.0001709700000000, 0.0000625000000000 ] - [ 0.0001048600000000, 0.0002002300000000, 0.0000705900000000 ] - [ 0.0001127800000000, 0.0001750700000000, 0.0000590400000000 ] - [ 0.0000512900000000, -0.0003033800000000, -0.0003204300000000 ] - [ 0.0001151400000000, 0.0002162800000000, 0.0000289800000000 ] - [ 0.0000858700000000, 0.0002118600000000, 0.0000145600000000 ] - [ 0.0001736600000000, 0.0002558900000000, 0.0000387300000000 ] - [ 0.0005147300000000, 0.0004880700000000, -0.0002336500000000 ] - [ -0.0004665100000000, 0.0003899300000000, -0.0001374900000000 ] - [ -0.0003360400000000, -0.0000865500000000, 0.0003717100000000 ] - [ -0.0000997500000000, 0.0002158000000000, 0.0000111600000000 ] - [ -0.0006989800000000, -0.0008336900000000, -0.0001491200000000 ] - [ 0.0000758300000000, 0.0000664900000000, -0.0000029500000000 ] - [ 0.0000249600000000, 0.0000460100000000, -0.0000176400000000 ] - [ 0.0001016600000000, -0.0000492700000000, 0.0000481500000000 ] - [ 0.0016313700000000, 0.0034049100000000, 0.0010992600000000 ] - [ 0.0002032200000000, -0.0000568900000000, -0.0000785900000000 ] - [ 0.0000655500000000, -0.0000380600000000, -0.0001629500000000 ] - [ 0.0001282600000000, -0.0000265300000000, -0.0000138700000000 ] - [ -0.0001325000000000, 0.0002656700000000, 0.0000416800000000 ] - [ -0.0003790400000000, 0.0009101800000000, -0.0004300500000000 ] - [ -0.0001658700000000, 0.0004008200000000, -0.0000836500000000 ] - [ -0.0000404400000000, 0.0002657100000000, -0.0000508900000000 ] - [ -0.0001143000000000, -0.0003734300000000, -0.0000171200000000 ] - [ -0.0001579700000000, -0.0002881900000000, 0.0000660600000000 ] - [ -0.0001335100000000, -0.0009987500000000, 0.0000159200000000 ] - [ -0.0002699500000000, -0.0004049200000000, 0.0000887100000000 ] - [ -0.0085417200000000, 0.0093679600000000, -0.0029997900000000 ] - [ -0.0000684400000000, -0.0000175600000000, -0.0001953300000000 ] - [ -0.0000197200000000, -0.0001528300000000, -0.0002363500000000 ] - [ -0.0000085000000000, -0.0000529800000000, -0.0002063900000000 ] - [ 0.0000200600000000, -0.0003288700000000, 0.0002906700000000 ] - [ -0.0000539600000000, -0.0001996100000000, 0.0001314500000000 ] - [ 0.0002240300000000, -0.0004363100000000, -0.0003441000000000 ] - [ -0.0001674000000000, -0.0000913500000000, 0.0000730500000000 ] - [ -0.0001173900000000, -0.0000383800000000, 0.0000546300000000 ] - [ 0.0003670000000000, -0.0002213700000000, 0.0003686400000000 ] - [ -0.0001337000000000, -0.0000720000000000, -0.0001738300000000 ] - [ -0.0000196600000000, -0.0000724100000000, -0.0000366100000000 ] - [ 0.0050308500000000, 0.0040647800000000, -0.0029104100000000 ] - [ 0.0000300900000000, -0.0000074500000000, 0.0000398900000000 ] - [ -0.0000143800000000, 0.0000193300000000, 0.0000309300000000 ] - [ 0.0000482500000000, 0.0000032000000000, 0.0000633400000000 ] - [ -0.0024033700000000, 0.0019410000000000, 0.0028286400000000 ] - [ 0.0004456100000000, -0.0000302500000000, -0.0000339500000000 ] - [ 0.0004368600000000, -0.0000180800000000, -0.0000709500000000 ] - [ 0.0005015200000000, -0.0000450500000000, -0.0000761100000000 ] - [ -0.0004468600000000, -0.0001374000000000, 0.0000461200000000 ] - [ -0.0007022200000000, -0.0000206600000000, -0.0003249900000000 ] - [ -0.0003992500000000, -0.0001196300000000, 0.0002478800000000 ] - [ -0.0005351400000000, -0.0000729300000000, 0.0000893200000000 ] - [ -0.0007004200000000, -0.0010920100000000, 0.0002306600000000 ] - [ -0.0002926800000000, -0.0000717500000000, 0.0001536700000000 ] - [ -0.0002260900000000, -0.0000044400000000, 0.0000876700000000 ] - [ -0.0002254100000000, 0.0000387600000000, 0.0001190400000000 ] - [ 0.0015462200000000, 0.0020039100000000, -0.0014529100000000 ] - [ 0.0002613800000000, 0.0002656700000000, -0.0000583000000000 ] - [ 0.0001595900000000, 0.0003882800000000, -0.0001610600000000 ] - [ 0.0002280400000000, 0.0001777800000000, -0.0000898400000000 ] - [ -0.0019639100000000, 0.0033031900000000, 0.0019112400000000 ] - [ -0.0002608300000000, -0.0002460300000000, 0.0001490200000000 ] - [ -0.0005445000000000, -0.0002789900000000, 0.0001172000000000 ] - [ -0.0001084300000000, -0.0002017000000000, 0.0001194500000000 ] - [ -0.0000378400000000, -0.0000109100000000, -0.0000457300000000 ] - [ 0.0008758200000000, -0.0002163000000000, 0.0001672000000000 ] - [ 0.0002552300000000, -0.0001823900000000, -0.0002410900000000 ] - [ 0.0002560300000000, -0.0001591600000000, -0.0001942500000000 ] - [ -0.0005241600000000, -0.0001774200000000, -0.0000014000000000 ] - [ 0.0008473800000000, -0.0002011200000000, 0.0002538200000000 ] - [ 0.0004340000000000, 0.0001213500000000, 0.0003299400000000 ] - [ 0.0002974700000000, 0.0000756200000000, 0.0002561900000000 ] - [ -0.0003941400000000, 0.0003101600000000, -0.0002479500000000 ] - [ -0.0004636500000000, 0.0002610500000000, -0.0003051600000000 ] - [ -0.0004332900000000, 0.0004797900000000, -0.0003232000000000 ] - [ 0.0000097100000000, 0.0006139800000000, 0.0000265000000000 ] - [ 0.0000658600000000, -0.0010527200000000, 0.0000735100000000 ] - [ -0.0001615800000000, -0.0014089900000000, 0.0001637300000000 ] - [ -0.0000225200000000, -0.0000504400000000, 0.0001471000000000 ] - [ 0.0000085500000000, 0.0000201500000000, 0.0000656800000000 ] - [ -0.0002137300000000, 0.0020225700000000, -0.0000764600000000 ] - [ -0.0000346100000000, 0.0002254800000000, 0.0000011600000000 ] - [ -0.0001348100000000, 0.0003055900000000, 0.0001655300000000 ] - [ -0.0000956400000000, 0.0003260600000000, 0.0002301900000000 ] - [ 0.0031777300000000, -0.0402315800000000, 0.0031560500000000 ] - [ -0.0003433700000000, -0.0002184000000000, -0.0000295100000000 ] - [ -0.0002881000000000, -0.0002359900000000, 0.0000746400000000 ] - [ -0.0003719000000000, -0.0002334000000000, 0.0000403100000000 ] - [ 0.0004948900000000, 0.0000612800000000, -0.0000902200000000 ] - [ 0.0005799800000000, 0.0003487700000000, 0.0001664700000000 ] - [ 0.0004988200000000, 0.0001936100000000, 0.0002253700000000 ] - [ 0.0004378600000000, -0.0000159500000000, 0.0000896500000000 ] - [ 0.0001098300000000, 0.0000541700000000, 0.0002825100000000 ] - [ -0.0001849800000000, 0.0001625200000000, 0.0000700300000000 ] - [ 0.0004190800000000, 0.0000964300000000, 0.0020668600000000 ] - [ 0.0000945700000000, 0.0001056800000000, 0.0003717600000000 ] - [ -0.0003308200000000, 0.0040069700000000, -0.0022145100000000 ] - [ -0.0000529000000000, 0.0002896000000000, -0.0004633200000000 ] - [ -0.0000550900000000, 0.0003380300000000, -0.0004065700000000 ] - [ -0.0000731000000000, 0.0002940100000000, -0.0003242600000000 ] - [ 0.0001004500000000, 0.0000337600000000, -0.0014870700000000 ] - [ -0.0001302100000000, -0.0001396300000000, -0.0003503800000000 ] - [ -0.0007847800000000, -0.0001601700000000, 0.0003333100000000 ] - [ 0.0001421200000000, -0.0001746700000000, -0.0000441000000000 ] - [ -0.0002026100000000, 0.0007118700000000, 0.0001735100000000 ] - [ 0.0007332100000000, 0.0006774200000000, -0.0001911900000000 ] - [ 0.0001194900000000, 0.0001764100000000, 0.0002484200000000 ] - [ 0.0000676000000000, 0.0001309000000000, 0.0003589700000000 ]- atom: 121 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013367600000000, -0.0035759000000000, -0.0021435200000000 ] - [ -0.0003747700000000, -0.0001117000000000, -0.0001399300000000 ] - [ -0.0003826500000000, -0.0000979800000000, -0.0001604300000000 ] - [ -0.0003428300000000, -0.0000807800000000, -0.0002118700000000 ] - [ 0.0001926900000000, -0.0002083000000000, -0.0003057300000000 ] - [ 0.0000526500000000, -0.0001097500000000, -0.0001964000000000 ] - [ 0.0005331000000000, -0.0006848500000000, -0.0003771500000000 ] - [ -0.0005860000000000, 0.0000031500000000, 0.0000234700000000 ] - [ 0.0003949800000000, 0.0032384000000000, 0.0018038800000000 ] - [ -0.0002046300000000, 0.0000146800000000, 0.0000671700000000 ] - [ -0.0001375100000000, 0.0000362400000000, 0.0001869500000000 ] - [ -0.0001521800000000, 0.0001832600000000, 0.0001984100000000 ] - [ 0.0006421200000000, -0.0000747500000000, 0.0002323000000000 ] - [ -0.0001140800000000, 0.0009044200000000, -0.0009045900000000 ] - [ 0.0008722000000000, -0.0004840200000000, 0.0002802100000000 ] - [ 0.0004021100000000, -0.0000720700000000, 0.0001391000000000 ] - [ 0.0023392700000000, 0.0009860200000000, -0.0013042100000000 ] - [ -0.0000034300000000, 0.0000737500000000, 0.0002122800000000 ] - [ -0.0005853800000000, -0.0002547600000000, 0.0003909500000000 ] - [ 0.0005431900000000, -0.0004053900000000, 0.0002315700000000 ] - [ -0.0038991300000000, -0.0022383600000000, -0.0020544400000000 ] - [ -0.0000972000000000, -0.0003848800000000, -0.0000633500000000 ] - [ -0.0003139800000000, -0.0002467600000000, -0.0001142500000000 ] - [ -0.0002941900000000, -0.0002379600000000, -0.0000471900000000 ] - [ -0.0001495000000000, -0.0000653500000000, 0.0003656800000000 ] - [ 0.0019532200000000, -0.0011243900000000, 0.0018697300000000 ] - [ 0.0002227700000000, -0.0000535900000000, 0.0002498800000000 ] - [ 0.0002099900000000, -0.0001168800000000, 0.0003255600000000 ] - [ -0.0040576100000000, -0.0030920700000000, -0.0020615100000000 ] - [ -0.0002435500000000, -0.0002067000000000, -0.0003293400000000 ] - [ -0.0003753300000000, -0.0001573800000000, -0.0003541500000000 ] - [ -0.0000923900000000, -0.0001324300000000, -0.0003073500000000 ] - [ -0.0000204600000000, -0.0000797100000000, -0.0000045900000000 ] - [ 0.0001502200000000, -0.0001171500000000, 0.0003709500000000 ] - [ -0.0000291100000000, 0.0003137600000000, -0.0002823800000000 ] - [ -0.0001658200000000, 0.0002338000000000, -0.0001155300000000 ] - [ -0.0014025600000000, -0.0081472600000000, 0.0047723800000000 ] - [ 0.0001276600000000, 0.0002060700000000, 0.0000954000000000 ] - [ 0.0001250800000000, 0.0001770000000000, 0.0000879500000000 ] - [ 0.0001187400000000, 0.0002017500000000, 0.0000988900000000 ] - [ 0.0001351300000000, 0.0007515000000000, 0.0003461000000000 ] - [ 0.0000769800000000, 0.0002316100000000, -0.0000056300000000 ] - [ 0.0001046000000000, 0.0002361900000000, 0.0000101500000000 ] - [ 0.0000163900000000, 0.0001914100000000, -0.0000144900000000 ] - [ -0.0007074400000000, -0.0000332600000000, 0.0002112300000000 ] - [ 0.0002715600000000, 0.0000604200000000, 0.0001116400000000 ] - [ 0.0001426100000000, 0.0005318900000000, -0.0003938800000000 ] - [ -0.0000911500000000, 0.0002325200000000, -0.0000354700000000 ] - [ 0.0008603700000000, 0.0011692900000000, 0.0001158800000000 ] - [ 0.0000933800000000, 0.0002718700000000, -0.0000234700000000 ] - [ 0.0001448500000000, 0.0002917000000000, -0.0000088700000000 ] - [ 0.0000681400000000, 0.0003866800000000, -0.0000742400000000 ] - [ -0.0014324700000000, -0.0038173000000000, -0.0013177400000000 ] - [ 0.0000407700000000, -0.0003386400000000, -0.0000933200000000 ] - [ 0.0001777300000000, -0.0003570800000000, -0.0000080200000000 ] - [ 0.0001165300000000, -0.0003679400000000, -0.0001561700000000 ] - [ -0.0000389800000000, 0.0000715400000000, -0.0000151300000000 ] - [ 0.0002224300000000, -0.0005789800000000, 0.0004646200000000 ] - [ -0.0000037500000000, -0.0000628300000000, 0.0001103800000000 ] - [ -0.0001299500000000, 0.0000722400000000, 0.0000778400000000 ] - [ -0.0001296500000000, -0.0000208900000000, 0.0001894500000000 ] - [ -0.0000867800000000, -0.0001076100000000, 0.0001050600000000 ] - [ -0.0001131800000000, 0.0006006100000000, 0.0001551000000000 ] - [ 0.0000258200000000, 0.0000109600000000, 0.0000815500000000 ] - [ 0.0083090100000000, -0.0094102200000000, 0.0026043400000000 ] - [ 0.0000781700000000, -0.0002020100000000, -0.0001001000000000 ] - [ 0.0000281600000000, -0.0000666500000000, -0.0000584000000000 ] - [ 0.0000183500000000, -0.0001657400000000, -0.0000883900000000 ] - [ -0.0000302500000000, 0.0001095800000000, 0.0000009600000000 ] - [ 0.0000449400000000, -0.0000197100000000, 0.0001625100000000 ] - [ -0.0002358500000000, 0.0002174400000000, 0.0006422700000000 ] - [ 0.0001583100000000, -0.0001296500000000, 0.0002221600000000 ] - [ 0.0000513000000000, -0.0000071700000000, -0.0000808800000000 ] - [ -0.0004370900000000, 0.0001705800000000, -0.0003983600000000 ] - [ 0.0000692100000000, 0.0000261600000000, 0.0001479800000000 ] - [ -0.0000462500000000, 0.0000271000000000, 0.0000109700000000 ] - [ -0.0047779900000000, -0.0039941600000000, 0.0028788300000000 ] - [ 0.0000363700000000, -0.0000379000000000, -0.0000136300000000 ] - [ 0.0000823800000000, -0.0000642500000000, -0.0000042100000000 ] - [ 0.0000195400000000, -0.0000485500000000, -0.0000371700000000 ] - [ 0.0034372000000000, -0.0021271600000000, -0.0030339400000000 ] - [ 0.0005047200000000, -0.0000961600000000, -0.0001022800000000 ] - [ 0.0005134000000000, -0.0001085200000000, -0.0000643100000000 ] - [ 0.0004503000000000, -0.0000806200000000, -0.0000594000000000 ] - [ -0.0005041900000000, 0.0000118000000000, 0.0000903800000000 ] - [ -0.0002486100000000, -0.0001054200000000, 0.0004602600000000 ] - [ -0.0005496000000000, -0.0000062900000000, -0.0001109200000000 ] - [ -0.0004150300000000, -0.0000536100000000, 0.0000467200000000 ] - [ 0.0002493000000000, 0.0012453500000000, 0.0000500100000000 ] - [ -0.0001528100000000, 0.0002327000000000, 0.0001317300000000 ] - [ -0.0002195300000000, 0.0001656200000000, 0.0001977800000000 ] - [ -0.0002196300000000, 0.0001226300000000, 0.0001660200000000 ] - [ -0.0011051100000000, -0.0018240200000000, 0.0011823200000000 ] - [ 0.0001849700000000, -0.0001037400000000, -0.0002253300000000 ] - [ 0.0002846300000000, -0.0002269400000000, -0.0001208900000000 ] - [ 0.0002173900000000, -0.0000153200000000, -0.0001934100000000 ] - [ 0.0014016300000000, -0.0034481900000000, -0.0015196100000000 ] - [ -0.0002658700000000, -0.0001475000000000, 0.0001184100000000 ] - [ 0.0000185700000000, -0.0001147400000000, 0.0001500900000000 ] - [ -0.0004158400000000, -0.0001910100000000, 0.0001481800000000 ] - [ 0.0005657200000000, -0.0003842800000000, -0.0002230100000000 ] - [ -0.0003488300000000, -0.0001800600000000, -0.0004397400000000 ] - [ 0.0002699500000000, -0.0002110200000000, -0.0000263800000000 ] - [ 0.0002695900000000, -0.0002347000000000, -0.0000723900000000 ] - [ 0.0013428100000000, 0.0005112200000000, 0.0005825000000000 ] - [ -0.0000388700000000, 0.0005346100000000, 0.0003242500000000 ] - [ 0.0003764400000000, 0.0002109300000000, 0.0002487900000000 ] - [ 0.0005142400000000, 0.0002554800000000, 0.0003228800000000 ] - [ -0.0004140400000000, 0.0000223600000000, -0.0003283100000000 ] - [ -0.0003483600000000, 0.0000709500000000, -0.0002732400000000 ] - [ -0.0003815200000000, -0.0001482200000000, -0.0002525300000000 ] - [ -0.0008163800000000, -0.0002816600000000, -0.0006041000000000 ] - [ -0.0000067000000000, 0.0012834900000000, -0.0000468300000000 ] - [ 0.0001963600000000, 0.0016401700000000, -0.0001356900000000 ] - [ 0.0000667000000000, 0.0002814700000000, -0.0001246100000000 ] - [ 0.0000358200000000, 0.0002112200000000, -0.0000436400000000 ] - [ 0.0001687000000000, -0.0017865500000000, 0.0000513900000000 ] - [ -0.0000090800000000, 0.0000053400000000, -0.0000245200000000 ] - [ 0.0000916100000000, -0.0000749100000000, -0.0001889300000000 ] - [ 0.0000508800000000, -0.0000952500000000, -0.0002542000000000 ] - [ -0.0038555200000000, 0.0399538800000000, -0.0031483400000000 ] - [ -0.0004127300000000, -0.0000081900000000, -0.0000015800000000 ] - [ -0.0004681500000000, 0.0000090300000000, -0.0001065700000000 ] - [ -0.0003853500000000, 0.0000066700000000, -0.0000718200000000 ] - [ 0.0002614600000000, -0.0002889000000000, 0.0001213800000000 ] - [ 0.0001791000000000, -0.0005741000000000, -0.0001338200000000 ] - [ 0.0002578800000000, -0.0004207900000000, -0.0001952400000000 ] - [ 0.0003190800000000, -0.0002107800000000, -0.0000583100000000 ] - [ 0.0000784100000000, 0.0003454300000000, 0.0004742700000000 ] - [ 0.0003633500000000, 0.0002343200000000, 0.0006858100000000 ] - [ -0.0002397100000000, 0.0003004400000000, -0.0013102000000000 ] - [ 0.0000892400000000, 0.0002888400000000, 0.0003884300000000 ] - [ 0.0001453700000000, -0.0035677600000000, 0.0014307100000000 ] - [ -0.0001302400000000, 0.0001054900000000, -0.0002960900000000 ] - [ -0.0001279600000000, 0.0000563500000000, -0.0003543400000000 ] - [ -0.0001103400000000, 0.0001010000000000, -0.0004354000000000 ] - [ -0.0003407800000000, 0.0000142900000000, 0.0009360500000000 ] - [ -0.0001089600000000, 0.0001795300000000, -0.0001998500000000 ] - [ 0.0005469300000000, 0.0001974200000000, -0.0008838700000000 ] - [ -0.0003787000000000, 0.0002148000000000, -0.0005037300000000 ] - [ 0.0004429000000000, -0.0006728700000000, 0.0003783300000000 ] - [ -0.0004930200000000, -0.0006370100000000, 0.0007427000000000 ] - [ 0.0001206900000000, -0.0001368000000000, 0.0003006800000000 ] - [ 0.0001714500000000, -0.0000916300000000, 0.0001910700000000 ]- atom: 121 displacement: [ -0.0045549923526468, 0.0000000000000000, 0.0089023617466001 ] forces: - [ 0.0020298400000000, 0.0028487600000000, -0.0029940100000000 ] - [ -0.0005306600000000, -0.0001019300000000, -0.0003353400000000 ] - [ -0.0006178800000000, -0.0001562500000000, 0.0002453700000000 ] - [ -0.0002471900000000, -0.0001458700000000, -0.0000220400000000 ] - [ 0.0003167600000000, 0.0000785000000000, 0.0000978200000000 ] - [ 0.0000209200000000, -0.0000186700000000, -0.0001514000000000 ] - [ -0.0001170200000000, 0.0006014900000000, 0.0000969900000000 ] - [ 0.0000239300000000, 0.0000402500000000, -0.0001619100000000 ] - [ 0.0008787500000000, -0.0015620700000000, 0.0010548200000000 ] - [ -0.0005437700000000, 0.0000515900000000, 0.0001622400000000 ] - [ -0.0003633100000000, 0.0000352500000000, 0.0002678600000000 ] - [ 0.0007324700000000, -0.0000230600000000, 0.0001301900000000 ] - [ -0.0005181000000000, 0.0000423200000000, 0.0001166400000000 ] - [ 0.0002257200000000, 0.0002866400000000, -0.0001881600000000 ] - [ 0.0022508100000000, -0.0006912900000000, 0.0010155600000000 ] - [ 0.0003704100000000, -0.0001065000000000, 0.0003120400000000 ] - [ -0.0005894700000000, 0.0043080300000000, 0.0022542900000000 ] - [ 0.0001823900000000, -0.0001674900000000, 0.0000953200000000 ] - [ -0.0012546000000000, -0.0001106000000000, 0.0008968700000000 ] - [ 0.0003841600000000, -0.0001463700000000, 0.0000436000000000 ] - [ -0.0003804900000000, -0.0003882400000000, -0.0009190500000000 ] - [ -0.0004537200000000, -0.0002888100000000, -0.0003027700000000 ] - [ -0.0005269100000000, -0.0002669800000000, 0.0000722100000000 ] - [ -0.0001371500000000, -0.0002090700000000, 0.0000320500000000 ] - [ -0.0000485400000000, -0.0000804600000000, 0.0003203700000000 ] - [ 0.0000185800000000, -0.0014068600000000, -0.0010789800000000 ] - [ 0.0001749000000000, -0.0001501700000000, 0.0004009000000000 ] - [ 0.0002153500000000, -0.0001524200000000, 0.0004950200000000 ] - [ 0.0036904800000000, -0.0008121100000000, -0.0030266100000000 ] - [ -0.0003887700000000, -0.0002019000000000, -0.0004000100000000 ] - [ -0.0007113000000000, -0.0000326600000000, -0.0003474600000000 ] - [ -0.0000369400000000, 0.0000760200000000, -0.0003752800000000 ] - [ 0.0005862200000000, -0.0003576700000000, 0.0000689100000000 ] - [ -0.0001281500000000, 0.0001264500000000, 0.0000565300000000 ] - [ -0.0005120500000000, 0.0004125100000000, -0.0005183300000000 ] - [ -0.0000976700000000, 0.0002037400000000, -0.0001363600000000 ] - [ -0.0012152100000000, -0.0028191700000000, 0.0024560100000000 ] - [ 0.0002751900000000, 0.0002501800000000, 0.0002104100000000 ] - [ 0.0003029600000000, 0.0001369900000000, -0.0001020700000000 ] - [ -0.0000179300000000, 0.0001610500000000, -0.0000122500000000 ] - [ -0.0005667600000000, 0.0001205700000000, 0.0004142800000000 ] - [ 0.0001284800000000, 0.0002650200000000, 0.0001377400000000 ] - [ 0.0001730800000000, 0.0002441000000000, -0.0002012100000000 ] - [ 0.0000241500000000, 0.0002379800000000, -0.0000693800000000 ] - [ 0.0008079400000000, -0.0002004100000000, -0.0005170900000000 ] - [ -0.0000311000000000, 0.0001296600000000, 0.0002090000000000 ] - [ -0.0001362900000000, 0.0007953200000000, -0.0015839700000000 ] - [ -0.0000564500000000, 0.0002389200000000, -0.0000739200000000 ] - [ -0.0007477900000000, 0.0002152300000000, 0.0008646900000000 ] - [ 0.0001865100000000, 0.0001010200000000, 0.0001211900000000 ] - [ 0.0002301900000000, 0.0002593300000000, -0.0001620000000000 ] - [ -0.0000158400000000, 0.0004134400000000, -0.0003048100000000 ] - [ 0.0001043900000000, 0.0012264600000000, 0.0015362100000000 ] - [ 0.0003683100000000, -0.0001938000000000, -0.0000667200000000 ] - [ 0.0003322900000000, -0.0002467200000000, -0.0003126200000000 ] - [ -0.0001335500000000, -0.0002218100000000, -0.0002396500000000 ] - [ 0.0002223600000000, 0.0002601000000000, 0.0001108700000000 ] - [ 0.0016734700000000, 0.0004978100000000, 0.0038048800000000 ] - [ -0.0001963000000000, 0.0001356600000000, -0.0001717400000000 ] - [ 0.0000173600000000, 0.0001431500000000, -0.0001538100000000 ] - [ -0.0002976700000000, -0.0003714800000000, -0.0001976200000000 ] - [ -0.0000927000000000, -0.0001721000000000, 0.0000454700000000 ] - [ -0.0001159400000000, -0.0000496300000000, 0.0000717600000000 ] - [ -0.0000997400000000, -0.0001629300000000, 0.0001490800000000 ] - [ -0.0009836000000000, 0.0005732800000000, 0.0000580800000000 ] - [ 0.0001797200000000, -0.0000755700000000, -0.0001368700000000 ] - [ 0.0002609800000000, -0.0001282300000000, -0.0003661500000000 ] - [ -0.0002081300000000, -0.0002053700000000, -0.0002210700000000 ] - [ -0.0000147200000000, -0.0000269600000000, 0.0001004100000000 ] - [ 0.0000115700000000, -0.0000987500000000, 0.0001243600000000 ] - [ 0.0000449000000000, -0.0004331300000000, -0.0000083900000000 ] - [ -0.0000305700000000, -0.0001474100000000, 0.0002091000000000 ] - [ 0.0001158500000000, 0.0000156600000000, 0.0000545300000000 ] - [ -0.0001003000000000, 0.0002413900000000, 0.0004549100000000 ] - [ -0.0001148100000000, -0.0001040300000000, -0.0001195800000000 ] - [ 0.0000181300000000, -0.0000447500000000, -0.0001244200000000 ] - [ -0.0058031900000000, -0.0038758800000000, 0.0036266300000000 ] - [ 0.0002433300000000, -0.0000929800000000, 0.0001437000000000 ] - [ 0.0000514300000000, -0.0001077100000000, -0.0001613800000000 ] - [ -0.0001187500000000, -0.0001106300000000, -0.0001964000000000 ] - [ -0.0060539400000000, 0.0017817400000000, 0.0064922400000000 ] - [ 0.0005196200000000, -0.0000841900000000, 0.0000489000000000 ] - [ 0.0005781500000000, 0.0001039400000000, -0.0003999300000000 ] - [ 0.0004353600000000, -0.0000124400000000, -0.0001713900000000 ] - [ -0.0002669900000000, -0.0002205800000000, -0.0000136800000000 ] - [ -0.0005347900000000, -0.0000057600000000, 0.0003140000000000 ] - [ -0.0006982800000000, 0.0000605000000000, 0.0001463500000000 ] - [ -0.0003960900000000, -0.0000947200000000, 0.0000013000000000 ] - [ -0.0002363600000000, 0.0000728400000000, 0.0004443100000000 ] - [ -0.0001780200000000, 0.0001333200000000, 0.0002272900000000 ] - [ -0.0001368700000000, 0.0001539800000000, -0.0000309300000000 ] - [ -0.0002544900000000, 0.0000932900000000, 0.0000961300000000 ] - [ -0.0052933400000000, -0.0033033400000000, 0.0056339300000000 ] - [ 0.0002441300000000, 0.0000636000000000, -0.0000699200000000 ] - [ 0.0003406100000000, -0.0000810400000000, -0.0004420300000000 ] - [ 0.0001704200000000, 0.0000838500000000, -0.0001658600000000 ] - [ -0.0031594900000000, 0.0016452500000000, 0.0024952700000000 ] - [ 0.0000437000000000, -0.0001659600000000, 0.0002285600000000 ] - [ 0.0004137300000000, -0.0000844300000000, -0.0000754000000000 ] - [ -0.0005828700000000, -0.0002613600000000, 0.0000612400000000 ] - [ 0.0004281600000000, 0.0000450700000000, 0.0000030100000000 ] - [ -0.0000790800000000, -0.0000392400000000, 0.0002700200000000 ] - [ 0.0002761400000000, -0.0002512400000000, -0.0002534000000000 ] - [ 0.0003001900000000, -0.0001788600000000, -0.0001764900000000 ] - [ 0.0005448800000000, 0.0002201500000000, 0.0003687600000000 ] - [ 0.0006329700000000, 0.0001145000000000, 0.0002836700000000 ] - [ 0.0004972900000000, 0.0001558600000000, 0.0002613900000000 ] - [ 0.0001356900000000, 0.0002917600000000, 0.0001563700000000 ] - [ -0.0011177200000000, 0.0000663300000000, -0.0008057200000000 ] - [ -0.0000998300000000, 0.0001915200000000, -0.0003796100000000 ] - [ -0.0001535400000000, 0.0002656000000000, -0.0001201800000000 ] - [ -0.0006492600000000, 0.0003166300000000, -0.0001772700000000 ] - [ -0.0023503500000000, 0.0002314700000000, -0.0017853400000000 ] - [ -0.0016261300000000, 0.0002330500000000, -0.0009860400000000 ] - [ -0.0000057800000000, 0.0001638300000000, 0.0003238700000000 ] - [ 0.0000350600000000, 0.0000719200000000, 0.0002984100000000 ] - [ 0.0002629500000000, 0.0004780000000000, 0.0000712100000000 ] - [ -0.0001875000000000, 0.0001698900000000, -0.0000164400000000 ] - [ -0.0001736300000000, 0.0000642200000000, 0.0001300000000000 ] - [ 0.0001591700000000, 0.0000156800000000, -0.0000602300000000 ] - [ 0.0192208200000000, 0.0011545700000000, -0.0258046200000000 ] - [ -0.0005759900000000, -0.0001412200000000, -0.0001673900000000 ] - [ -0.0005078000000000, -0.0000729900000000, 0.0003612200000000 ] - [ -0.0002091600000000, -0.0000661400000000, 0.0000859300000000 ] - [ 0.0003274700000000, 0.0000348600000000, 0.0000613100000000 ] - [ 0.0003123600000000, -0.0001549400000000, -0.0000046100000000 ] - [ 0.0004112400000000, -0.0002449300000000, 0.0000994600000000 ] - [ 0.0003368200000000, -0.0001516800000000, 0.0000056200000000 ] - [ -0.0008382200000000, -0.0006287500000000, 0.0011036600000000 ] - [ 0.0002381700000000, 0.0000716600000000, 0.0005701500000000 ] - [ 0.0007113900000000, 0.0011723800000000, 0.0027014600000000 ] - [ 0.0000197800000000, 0.0002593700000000, 0.0004039500000000 ] - [ 0.0006171000000000, -0.0010910700000000, -0.0008019700000000 ] - [ -0.0002376500000000, 0.0001605900000000, -0.0004981300000000 ] - [ -0.0001370900000000, 0.0003394500000000, 0.0000454000000000 ] - [ 0.0000418700000000, 0.0002167900000000, -0.0002687200000000 ] - [ 0.0008376300000000, -0.0016524200000000, 0.0018236200000000 ] - [ -0.0002714200000000, -0.0000019800000000, -0.0002266900000000 ] - [ -0.0007814300000000, 0.0000600400000000, 0.0003394900000000 ] - [ 0.0001440200000000, 0.0000947100000000, -0.0000536800000000 ] - [ 0.0001413900000000, 0.0000125100000000, 0.0000204100000000 ] - [ -0.0003483400000000, -0.0003373700000000, 0.0003247200000000 ] - [ -0.0000311000000000, 0.0000162700000000, 0.0005135900000000 ] - [ 0.0002210000000000, 0.0001386600000000, 0.0004613600000000 ]- atom: 121 displacement: [ 0.0045549923526468, 0.0000000000000000, -0.0089023617466001 ] forces: - [ -0.0028317800000000, -0.0030330300000000, 0.0027075700000000 ] - [ -0.0002585000000000, -0.0000886200000000, 0.0000359000000000 ] - [ -0.0001695800000000, -0.0000339300000000, -0.0005435400000000 ] - [ -0.0005392300000000, -0.0000460000000000, -0.0002761600000000 ] - [ -0.0001543000000000, -0.0000642600000000, -0.0004674800000000 ] - [ 0.0001396000000000, 0.0000318000000000, -0.0002199200000000 ] - [ 0.0002800800000000, -0.0005857500000000, -0.0004667600000000 ] - [ 0.0001387300000000, -0.0000273700000000, -0.0002096200000000 ] - [ -0.0010384200000000, 0.0015738500000000, -0.0006669100000000 ] - [ 0.0003834000000000, -0.0000401800000000, 0.0002072100000000 ] - [ 0.0002034700000000, -0.0000239700000000, 0.0001035600000000 ] - [ -0.0008868000000000, 0.0000334700000000, 0.0002391300000000 ] - [ 0.0013027200000000, -0.0002321300000000, 0.0001868900000000 ] - [ 0.0005606500000000, -0.0004781400000000, 0.0004864200000000 ] - [ -0.0014903000000000, 0.0005065300000000, -0.0007229700000000 ] - [ 0.0004164500000000, -0.0000836500000000, -0.0000123500000000 ] - [ 0.0012332000000000, -0.0047162600000000, -0.0020976100000000 ] - [ 0.0004696700000000, -0.0002654900000000, 0.0000455400000000 ] - [ 0.0019194100000000, -0.0003228200000000, -0.0007628000000000 ] - [ 0.0002702300000000, -0.0002889700000000, 0.0000999900000000 ] - [ -0.0002704800000000, -0.0000464300000000, 0.0007843000000000 ] - [ -0.0002033700000000, -0.0001409300000000, 0.0001585700000000 ] - [ -0.0001223800000000, -0.0001711700000000, -0.0002138800000000 ] - [ -0.0005125300000000, -0.0002291900000000, -0.0001729900000000 ] - [ 0.0004566000000000, -0.0002219600000000, 0.0003379900000000 ] - [ 0.0003880100000000, 0.0011108700000000, 0.0017421800000000 ] - [ 0.0002345600000000, -0.0001530400000000, 0.0002589400000000 ] - [ 0.0001953400000000, -0.0001504200000000, 0.0001658500000000 ] - [ -0.0041102500000000, 0.0004908200000000, 0.0023619600000000 ] - [ -0.0000222600000000, -0.0001004200000000, -0.0002611000000000 ] - [ 0.0003029600000000, -0.0002703300000000, -0.0003110700000000 ] - [ -0.0003748000000000, -0.0003809700000000, -0.0002835400000000 ] - [ -0.0008126500000000, 0.0007284600000000, -0.0002255600000000 ] - [ -0.0001025300000000, 0.0002496400000000, -0.0002141200000000 ] - [ 0.0002870700000000, -0.0000381800000000, 0.0003652400000000 ] - [ -0.0001346600000000, 0.0001739900000000, -0.0000232400000000 ] - [ 0.0014506000000000, 0.0031726800000000, -0.0023061000000000 ] - [ -0.0000437200000000, 0.0001269700000000, -0.0000521300000000 ] - [ -0.0000719300000000, 0.0002399100000000, 0.0002595700000000 ] - [ 0.0002489100000000, 0.0002158300000000, 0.0001696400000000 ] - [ 0.0007603600000000, 0.0003288700000000, -0.0003884900000000 ] - [ 0.0000627800000000, 0.0001832500000000, -0.0001130900000000 ] - [ 0.0000172900000000, 0.0002040300000000, 0.0002257600000000 ] - [ 0.0001669200000000, 0.0002102000000000, 0.0000941600000000 ] - [ -0.0010088700000000, 0.0006550600000000, 0.0005022600000000 ] - [ -0.0001614000000000, 0.0003187600000000, -0.0002335900000000 ] - [ -0.0000438500000000, -0.0003521400000000, 0.0015679700000000 ] - [ -0.0001347700000000, 0.0002094500000000, 0.0000491300000000 ] - [ 0.0009156000000000, 0.0001227700000000, -0.0008920800000000 ] - [ -0.0000171000000000, 0.0002361600000000, -0.0001464500000000 ] - [ -0.0000605700000000, 0.0000783700000000, 0.0001347100000000 ] - [ 0.0001864700000000, -0.0000773500000000, 0.0002795900000000 ] - [ 0.0001233000000000, -0.0016236700000000, -0.0017250200000000 ] - [ -0.0001236800000000, -0.0002013800000000, -0.0001043500000000 ] - [ -0.0000876100000000, -0.0001485200000000, 0.0001413300000000 ] - [ 0.0003760500000000, -0.0001729800000000, 0.0000668800000000 ] - [ -0.0003916200000000, 0.0000782400000000, -0.0000837400000000 ] - [ -0.0018277500000000, -0.0001653600000000, -0.0037874900000000 ] - [ 0.0000270300000000, 0.0002023200000000, 0.0001975800000000 ] - [ -0.0001873900000000, 0.0001948800000000, 0.0001795200000000 ] - [ 0.0000511500000000, -0.0000241900000000, 0.0003691000000000 ] - [ -0.0001517700000000, -0.0002228300000000, 0.0001263000000000 ] - [ -0.0001288800000000, -0.0003478700000000, 0.0000958000000000 ] - [ -0.0001459100000000, -0.0002317400000000, 0.0000216800000000 ] - [ 0.0010223700000000, -0.0008200300000000, -0.0003566000000000 ] - [ -0.0001703000000000, -0.0001444500000000, -0.0001576400000000 ] - [ -0.0002523800000000, -0.0000906800000000, 0.0000718200000000 ] - [ 0.0002161600000000, -0.0000137200000000, -0.0000742900000000 ] - [ 0.0000038900000000, -0.0001907300000000, 0.0001936200000000 ] - [ -0.0000215000000000, -0.0001204000000000, 0.0001704000000000 ] - [ -0.0000558300000000, 0.0002131200000000, 0.0003031500000000 ] - [ 0.0000197900000000, -0.0000725300000000, 0.0000857800000000 ] - [ -0.0001812800000000, -0.0000611300000000, -0.0000805500000000 ] - [ 0.0000348900000000, -0.0002870100000000, -0.0004801300000000 ] - [ 0.0000498000000000, 0.0000581100000000, 0.0000926300000000 ] - [ -0.0000841500000000, -0.0000007200000000, 0.0000981200000000 ] - [ 0.0060081500000000, 0.0039592600000000, -0.0036178500000000 ] - [ -0.0001750000000000, 0.0000467400000000, -0.0001164200000000 ] - [ 0.0000153800000000, 0.0000623400000000, 0.0001871700000000 ] - [ 0.0001877400000000, 0.0000656500000000, 0.0002231400000000 ] - [ 0.0072419900000000, -0.0021038200000000, -0.0068210100000000 ] - [ 0.0004311400000000, -0.0000422400000000, -0.0001845400000000 ] - [ 0.0003736200000000, -0.0002292100000000, 0.0002622600000000 ] - [ 0.0005156000000000, -0.0001135500000000, 0.0000352300000000 ] - [ -0.0006833600000000, 0.0000948800000000, 0.0001494500000000 ] - [ -0.0004151000000000, -0.0001208100000000, -0.0001773500000000 ] - [ -0.0002492900000000, -0.0001884500000000, -0.0000122700000000 ] - [ -0.0005541700000000, -0.0000319100000000, 0.0001341700000000 ] - [ -0.0002112400000000, 0.0000866600000000, -0.0001602900000000 ] - [ -0.0002670000000000, 0.0000273500000000, 0.0000589000000000 ] - [ -0.0003085200000000, 0.0000073600000000, 0.0003154800000000 ] - [ -0.0001910400000000, 0.0000682700000000, 0.0001882300000000 ] - [ 0.0054426700000000, 0.0034091400000000, -0.0055957200000000 ] - [ 0.0002017100000000, 0.0000979000000000, -0.0002136400000000 ] - [ 0.0001035400000000, 0.0002432500000000, 0.0001595500000000 ] - [ 0.0002745300000000, 0.0000773200000000, -0.0001193600000000 ] - [ 0.0026223800000000, -0.0019657000000000, -0.0021906800000000 ] - [ -0.0005684200000000, -0.0002274500000000, 0.0000394000000000 ] - [ -0.0009423300000000, -0.0003105700000000, 0.0003429400000000 ] - [ 0.0000588100000000, -0.0001317300000000, 0.0002054100000000 ] - [ 0.0001000800000000, -0.0004371900000000, -0.0002697300000000 ] - [ 0.0006071300000000, -0.0003551900000000, -0.0005378300000000 ] - [ 0.0002499600000000, -0.0001420000000000, -0.0000137700000000 ] - [ 0.0002253800000000, -0.0002146200000000, -0.0000911100000000 ] - [ 0.0002651800000000, 0.0001117000000000, 0.0002089200000000 ] - [ 0.0001786500000000, 0.0002177300000000, 0.0002941700000000 ] - [ 0.0003141500000000, 0.0001760500000000, 0.0003173200000000 ] - [ 0.0006746700000000, 0.0000417700000000, 0.0004226200000000 ] - [ 0.0003014500000000, 0.0002637900000000, 0.0002216800000000 ] - [ -0.0007121000000000, 0.0001407000000000, -0.0001987600000000 ] - [ -0.0006559100000000, 0.0000672100000000, -0.0004596400000000 ] - [ -0.0001678100000000, 0.0000151100000000, -0.0004027000000000 ] - [ 0.0023886800000000, 0.0000022200000000, 0.0017911400000000 ] - [ 0.0016754900000000, 0.0000024200000000, 0.0010127200000000 ] - [ 0.0000498200000000, 0.0000667200000000, -0.0003008600000000 ] - [ 0.0000096400000000, 0.0001587000000000, -0.0002729500000000 ] - [ -0.0003097400000000, -0.0002459800000000, -0.0000982600000000 ] - [ 0.0001430000000000, 0.0000618400000000, -0.0000074300000000 ] - [ 0.0001292600000000, 0.0001676800000000, -0.0001518700000000 ] - [ -0.0002044700000000, 0.0002169900000000, 0.0000382400000000 ] - [ -0.0200349900000000, -0.0012571700000000, 0.0256092900000000 ] - [ -0.0001817000000000, -0.0000857700000000, 0.0001359300000000 ] - [ -0.0002489100000000, -0.0001536000000000, -0.0003928000000000 ] - [ -0.0005476800000000, -0.0001612400000000, -0.0001165200000000 ] - [ 0.0004300900000000, -0.0002608400000000, -0.0000309800000000 ] - [ 0.0004450000000000, -0.0000713500000000, 0.0000356800000000 ] - [ 0.0003466400000000, 0.0000187900000000, -0.0000675200000000 ] - [ 0.0004204800000000, -0.0000752800000000, 0.0000262800000000 ] - [ 0.0010182900000000, 0.0010224200000000, -0.0003394700000000 ] - [ -0.0000547400000000, 0.0003228000000000, 0.0001877500000000 ] - [ -0.0005341700000000, -0.0007900600000000, -0.0019628000000000 ] - [ 0.0001645700000000, 0.0001350000000000, 0.0003564300000000 ] - [ -0.0008062600000000, 0.0014825200000000, 0.0000473300000000 ] - [ 0.0000537600000000, 0.0002346200000000, -0.0002625500000000 ] - [ -0.0000469200000000, 0.0000551000000000, -0.0008061800000000 ] - [ -0.0002258500000000, 0.0001784100000000, -0.0004924700000000 ] - [ -0.0010697100000000, 0.0016723100000000, -0.0023491300000000 ] - [ 0.0000314700000000, 0.0000417700000000, -0.0003235900000000 ] - [ 0.0005398400000000, -0.0000221700000000, -0.0008870500000000 ] - [ -0.0003813400000000, -0.0000528700000000, -0.0004934000000000 ] - [ 0.0001031100000000, 0.0000242700000000, 0.0005304200000000 ] - [ 0.0005859800000000, 0.0003743600000000, 0.0002260200000000 ] - [ 0.0002711000000000, 0.0000238700000000, 0.0000355800000000 ] - [ 0.0000192000000000, -0.0000976000000000, 0.0000892300000000 ]- atom: 129 displacement: [ 0.0099999730884809, 0.0000000000000000, -0.0000231997770880 ] forces: - [ -0.0003109100000000, -0.0003091400000000, -0.0005260100000000 ] - [ 0.0005239200000000, 0.0005337200000000, 0.0012488100000000 ] - [ -0.0028095100000000, -0.0029038200000000, 0.0009554100000000 ] - [ -0.0000790200000000, 0.0000149500000000, -0.0004174300000000 ] - [ 0.0011625500000000, -0.0016123800000000, 0.0023411200000000 ] - [ 0.0003971000000000, 0.0000445800000000, -0.0000898500000000 ] - [ 0.0002721800000000, 0.0000020300000000, -0.0002635000000000 ] - [ -0.0002202400000000, 0.0000285400000000, -0.0000730200000000 ] - [ -0.0001584200000000, -0.0000562200000000, 0.0000671800000000 ] - [ -0.0000651400000000, -0.0000377100000000, 0.0003195100000000 ] - [ 0.0010916200000000, -0.0034648300000000, 0.0006716700000000 ] - [ 0.0006167700000000, -0.0000630000000000, 0.0001514500000000 ] - [ -0.0017117300000000, -0.0012797100000000, 0.0001315500000000 ] - [ 0.0008074200000000, -0.0001124400000000, -0.0000139400000000 ] - [ 0.0004935700000000, 0.0000213700000000, -0.0000616000000000 ] - [ 0.0004710000000000, -0.0001111700000000, 0.0003664200000000 ] - [ -0.0004543100000000, 0.0026918900000000, 0.0012317100000000 ] - [ 0.0010078800000000, -0.0004876800000000, 0.0002749900000000 ] - [ 0.0002906900000000, -0.0002815600000000, 0.0000512800000000 ] - [ 0.0003792100000000, -0.0001565000000000, 0.0000815800000000 ] - [ -0.0008529900000000, 0.0001237200000000, 0.0000377300000000 ] - [ 0.0003664900000000, -0.0001893100000000, -0.0001718300000000 ] - [ -0.0011078200000000, 0.0001604500000000, -0.0006211700000000 ] - [ 0.0003512000000000, -0.0000265100000000, 0.0003091600000000 ] - [ -0.0015743900000000, 0.0013765700000000, 0.0052342200000000 ] - [ 0.0004731400000000, -0.0001704100000000, 0.0000862500000000 ] - [ 0.0002609400000000, -0.0001448800000000, 0.0002814500000000 ] - [ 0.0003915100000000, -0.0000954000000000, 0.0010281700000000 ] - [ 0.0002210800000000, -0.0001854200000000, -0.0003089000000000 ] - [ -0.0002087300000000, -0.0004036700000000, -0.0004465800000000 ] - [ -0.0005541600000000, -0.0002081500000000, 0.0000249200000000 ] - [ -0.0001008500000000, -0.0002220300000000, -0.0004902500000000 ] - [ 0.0011454600000000, -0.0000551100000000, -0.0001713400000000 ] - [ -0.0006010000000000, 0.0003054800000000, -0.0001933500000000 ] - [ -0.0002349200000000, 0.0001957700000000, 0.0000303300000000 ] - [ -0.0000767800000000, 0.0001905700000000, -0.0001492400000000 ] - [ 0.0000295800000000, 0.0003948000000000, 0.0002478300000000 ] - [ 0.0001340600000000, 0.0000084500000000, -0.0002477400000000 ] - [ 0.0012573100000000, 0.0000342000000000, -0.0001850000000000 ] - [ -0.0003108500000000, 0.0000979000000000, -0.0000165900000000 ] - [ 0.0004183400000000, 0.0001798000000000, -0.0000193200000000 ] - [ -0.0007553300000000, -0.0000439900000000, -0.0005774100000000 ] - [ 0.0018880300000000, 0.0002643600000000, 0.0001841800000000 ] - [ -0.0001031200000000, 0.0002025000000000, 0.0000716900000000 ] - [ 0.0016597000000000, 0.0007452100000000, 0.0005319600000000 ] - [ -0.0003941400000000, 0.0002558300000000, 0.0000694200000000 ] - [ -0.0000387700000000, 0.0001931500000000, 0.0000496800000000 ] - [ -0.0002231000000000, 0.0002684100000000, -0.0001358600000000 ] - [ -0.0001363700000000, 0.0002027000000000, 0.0000757700000000 ] - [ 0.0002327800000000, -0.0002120600000000, -0.0000383500000000 ] - [ 0.0002969200000000, 0.0004894200000000, -0.0003013800000000 ] - [ 0.0000228300000000, 0.0001696400000000, 0.0000655100000000 ] - [ 0.0002319600000000, -0.0002216300000000, 0.0000311400000000 ] - [ 0.0000112300000000, -0.0001809600000000, -0.0002365000000000 ] - [ 0.0062770200000000, 0.0009553200000000, -0.0064887500000000 ] - [ -0.0002802200000000, -0.0002853000000000, -0.0002199000000000 ] - [ 0.0048773400000000, -0.0033580900000000, 0.0019508300000000 ] - [ -0.0004688300000000, 0.0002397300000000, 0.0002094800000000 ] - [ -0.0001628400000000, 0.0000528500000000, 0.0000768800000000 ] - [ -0.0000254100000000, 0.0002304900000000, -0.0001405500000000 ] - [ -0.0000720500000000, 0.0006812500000000, -0.0003200900000000 ] - [ -0.0003275700000000, -0.0002346400000000, 0.0001619700000000 ] - [ -0.0001756000000000, -0.0001993700000000, 0.0001399200000000 ] - [ -0.0000696900000000, -0.0002245600000000, -0.0000297100000000 ] - [ 0.0001242200000000, -0.0001969100000000, 0.0000498000000000 ] - [ -0.0001069900000000, 0.0000096500000000, -0.0002354100000000 ] - [ 0.0000512500000000, 0.0009262000000000, 0.0001157200000000 ] - [ -0.0002562100000000, -0.0001746500000000, -0.0001732200000000 ] - [ 0.0083442800000000, -0.0074864000000000, -0.0042071400000000 ] - [ -0.0003598900000000, -0.0002659300000000, 0.0001619000000000 ] - [ -0.0000454500000000, -0.0000028100000000, 0.0000876100000000 ] - [ 0.0000681500000000, -0.0001652600000000, 0.0000293600000000 ] - [ 0.0051327100000000, 0.0040931100000000, -0.0004286000000000 ] - [ -0.0003353900000000, 0.0000718600000000, 0.0001439600000000 ] - [ -0.0000524300000000, -0.0000209700000000, 0.0000234400000000 ] - [ -0.0001239200000000, 0.0000594300000000, -0.0003807600000000 ] - [ -0.0001226600000000, -0.0001045900000000, 0.0000211700000000 ] - [ 0.0002322600000000, 0.0001875900000000, -0.0001769700000000 ] - [ 0.0001206400000000, 0.0000167400000000, -0.0001581000000000 ] - [ -0.0000465600000000, 0.0000622600000000, 0.0000520700000000 ] - [ 0.0003525100000000, -0.0000307700000000, 0.0001044200000000 ] - [ 0.0004896600000000, -0.0000382500000000, -0.0005597800000000 ] - [ 0.0055309400000000, 0.0017119800000000, 0.0026068300000000 ] - [ 0.0001785300000000, -0.0001862500000000, 0.0001028800000000 ] - [ 0.0001353200000000, -0.0000821500000000, 0.0000911400000000 ] - [ -0.0006689200000000, 0.0000083800000000, 0.0001104300000000 ] - [ -0.0004931100000000, -0.0000325600000000, 0.0001674200000000 ] - [ -0.0004670800000000, -0.0001209000000000, -0.0000522100000000 ] - [ -0.0000822000000000, 0.0000321400000000, 0.0004082000000000 ] - [ -0.0003905900000000, 0.0000207800000000, 0.0000834100000000 ] - [ -0.0001013800000000, 0.0001761300000000, 0.0001663200000000 ] - [ -0.0003546700000000, 0.0000638300000000, -0.0000079600000000 ] - [ 0.0053929900000000, 0.0009640700000000, -0.0041216100000000 ] - [ -0.0001466100000000, 0.0002723000000000, -0.0001840200000000 ] - [ 0.0002935500000000, 0.0000821900000000, -0.0000051000000000 ] - [ 0.0001805800000000, 0.0000688100000000, -0.0002443900000000 ] - [ -0.0006654000000000, -0.0002168700000000, 0.0003115400000000 ] - [ -0.0001784900000000, -0.0001734900000000, 0.0001174800000000 ] - [ 0.0001637400000000, -0.0001702800000000, 0.0000996100000000 ] - [ -0.0004685200000000, -0.0002254400000000, 0.0001607600000000 ] - [ 0.0031160200000000, -0.0004036800000000, -0.0005557500000000 ] - [ -0.0001321100000000, -0.0001434400000000, -0.0000444500000000 ] - [ 0.0002891800000000, -0.0003100800000000, -0.0000579200000000 ] - [ 0.0001540100000000, -0.0001528200000000, -0.0003141900000000 ] - [ 0.0006275000000000, 0.0002042800000000, 0.0002928800000000 ] - [ 0.0002664500000000, 0.0001467700000000, 0.0001982600000000 ] - [ 0.0001694000000000, 0.0000404500000000, 0.0004061500000000 ] - [ -0.0004854800000000, 0.0003969200000000, 0.0000061100000000 ] - [ -0.0010507200000000, -0.0000366800000000, -0.0005173600000000 ] - [ -0.0011920000000000, 0.0006769800000000, -0.0003166600000000 ] - [ -0.0004413500000000, 0.0001514700000000, -0.0003075300000000 ] - [ -0.0003373200000000, 0.0001881400000000, -0.0002720900000000 ] - [ -0.0016896800000000, -0.0000788300000000, -0.0000288700000000 ] - [ 0.0002450100000000, 0.0001641100000000, 0.0000230200000000 ] - [ 0.0007639800000000, -0.0000121400000000, -0.0007238200000000 ] - [ 0.0004471800000000, 0.0003671900000000, 0.0004099800000000 ] - [ 0.0006810000000000, -0.0002695700000000, -0.0004740300000000 ] - [ 0.0006001000000000, 0.0007317500000000, 0.0001163100000000 ] - [ -0.0001107300000000, 0.0000318600000000, 0.0000681900000000 ] - [ -0.0000049900000000, 0.0000805800000000, 0.0000375600000000 ] - [ 0.0002093000000000, -0.0000973500000000, -0.0007599100000000 ] - [ 0.0004229000000000, -0.0003875200000000, 0.0005575600000000 ] - [ -0.0020882300000000, 0.0002109400000000, -0.0002003200000000 ] - [ -0.0001493900000000, -0.0001110700000000, 0.0000205100000000 ] - [ -0.0016573700000000, 0.0001238000000000, -0.0002249100000000 ] - [ 0.0007249100000000, -0.0001527100000000, 0.0000294200000000 ] - [ 0.0003615200000000, -0.0001500100000000, -0.0000450000000000 ] - [ 0.0004610400000000, -0.0001321400000000, 0.0002079100000000 ] - [ -0.0441474900000000, 0.0047502700000000, 0.0018813100000000 ] - [ 0.0004734900000000, 0.0001808700000000, 0.0003485500000000 ] - [ 0.0000839700000000, 0.0002148500000000, 0.0003083800000000 ] - [ 0.0002268600000000, 0.0001374800000000, 0.0006348300000000 ] - [ -0.0000716000000000, 0.0002125100000000, -0.0005311200000000 ] - [ -0.0000316600000000, 0.0002921700000000, -0.0003001900000000 ] - [ -0.0007528600000000, 0.0001863100000000, -0.0000080100000000 ] - [ 0.0001748100000000, 0.0002237200000000, -0.0004234600000000 ] - [ 0.0046214800000000, -0.0001949000000000, -0.0001602900000000 ] - [ 0.0040379800000000, 0.0001768200000000, -0.0002771700000000 ] - [ -0.0001309200000000, 0.0000759700000000, -0.0002284300000000 ] - [ -0.0002347400000000, 0.0000175700000000, -0.0001910700000000 ] - [ -0.0001215700000000, -0.0000006900000000, 0.0002221200000000 ] - [ 0.0002553500000000, 0.0000369900000000, 0.0003024100000000 ] - [ 0.0003029500000000, -0.0002217700000000, 0.0001687300000000 ] - [ 0.0003929300000000, -0.0001162900000000, 0.0006061500000000 ]- atom: 129 displacement: [ -0.0099999730884809, 0.0000000000000000, 0.0000231997770880 ] forces: - [ -0.0004764400000000, 0.0001153900000000, 0.0002250200000000 ] - [ -0.0013171800000000, -0.0007321300000000, -0.0015557200000000 ] - [ 0.0020091200000000, 0.0027060500000000, -0.0012615000000000 ] - [ -0.0007088300000000, -0.0002070900000000, 0.0001198100000000 ] - [ -0.0009935600000000, 0.0016155800000000, -0.0027087900000000 ] - [ -0.0002378200000000, -0.0000320700000000, -0.0002811300000000 ] - [ -0.0001152500000000, 0.0000113300000000, -0.0001034400000000 ] - [ 0.0003818500000000, -0.0000157700000000, -0.0002971900000000 ] - [ -0.0000011300000000, 0.0000675800000000, 0.0003030300000000 ] - [ -0.0000947300000000, 0.0000485100000000, 0.0000499100000000 ] - [ -0.0012565200000000, 0.0034874400000000, -0.0003054300000000 ] - [ -0.0007712600000000, 0.0000735400000000, 0.0002167200000000 ] - [ 0.0025150700000000, 0.0010833000000000, 0.0001737200000000 ] - [ -0.0000216500000000, -0.0000764100000000, 0.0003116100000000 ] - [ 0.0002945300000000, -0.0002110900000000, 0.0003617000000000 ] - [ 0.0003168400000000, -0.0000794200000000, -0.0000659700000000 ] - [ 0.0010939200000000, -0.0031244000000000, -0.0010820400000000 ] - [ -0.0003580300000000, 0.0000554300000000, -0.0001345000000000 ] - [ 0.0003603500000000, -0.0001516000000000, 0.0000907100000000 ] - [ 0.0002736100000000, -0.0002740600000000, 0.0000619100000000 ] - [ 0.0001904700000000, -0.0005573100000000, -0.0001734200000000 ] - [ -0.0010204400000000, -0.0002485600000000, 0.0000309100000000 ] - [ 0.0004690800000000, -0.0006074500000000, 0.0004740900000000 ] - [ -0.0010029300000000, -0.0004117700000000, -0.0004516200000000 ] - [ 0.0020039300000000, -0.0016864400000000, -0.0045964600000000 ] - [ -0.0000643900000000, -0.0001314400000000, 0.0005704800000000 ] - [ 0.0001508300000000, -0.0001573800000000, 0.0003776800000000 ] - [ 0.0000180500000000, -0.0002061200000000, -0.0003734500000000 ] - [ -0.0006348700000000, -0.0001164800000000, -0.0003494900000000 ] - [ -0.0002022600000000, 0.0001006700000000, -0.0002121500000000 ] - [ 0.0001451600000000, -0.0000960700000000, -0.0006838900000000 ] - [ -0.0003081900000000, -0.0000812900000000, -0.0001685600000000 ] - [ -0.0013756200000000, 0.0004286400000000, 0.0000126900000000 ] - [ 0.0003718600000000, 0.0000719900000000, 0.0000349500000000 ] - [ 0.0000053100000000, 0.0001826800000000, -0.0001895800000000 ] - [ -0.0001525100000000, 0.0001876100000000, -0.0000099100000000 ] - [ 0.0001994600000000, -0.0000166700000000, -0.0000872600000000 ] - [ 0.0000944600000000, 0.0003699000000000, 0.0004084100000000 ] - [ -0.0010250500000000, 0.0003459300000000, 0.0003416800000000 ] - [ 0.0005416100000000, 0.0002802700000000, 0.0001759600000000 ] - [ -0.0002219500000000, 0.0002672300000000, 0.0000383400000000 ] - [ 0.0009510100000000, 0.0004956500000000, 0.0006041400000000 ] - [ -0.0017045600000000, 0.0001859400000000, -0.0001547900000000 ] - [ 0.0002928900000000, 0.0002452200000000, -0.0000495800000000 ] - [ -0.0018477400000000, -0.0002833300000000, -0.0005579600000000 ] - [ 0.0002049000000000, 0.0001918000000000, -0.0000918200000000 ] - [ -0.0001515700000000, 0.0002551300000000, -0.0000735300000000 ] - [ 0.0000333900000000, 0.0001797500000000, 0.0001122100000000 ] - [ 0.0003098200000000, 0.0001370000000000, -0.0001041000000000 ] - [ -0.0000612200000000, 0.0005515200000000, 0.0000109300000000 ] - [ -0.0001246900000000, -0.0001502600000000, 0.0002735900000000 ] - [ 0.0001476000000000, 0.0001688100000000, -0.0000934700000000 ] - [ 0.0000124900000000, -0.0001725500000000, -0.0002020000000000 ] - [ 0.0002333200000000, -0.0002136500000000, 0.0000647300000000 ] - [ -0.0062039600000000, -0.0013145000000000, 0.0065327100000000 ] - [ 0.0005241300000000, -0.0001101500000000, 0.0000471600000000 ] - [ -0.0051866900000000, 0.0037790500000000, -0.0020598900000000 ] - [ 0.0002970300000000, 0.0000985300000000, -0.0001806300000000 ] - [ -0.0000097500000000, 0.0002856700000000, -0.0000488300000000 ] - [ -0.0001462400000000, 0.0001097000000000, 0.0001682400000000 ] - [ -0.0001767300000000, -0.0010742800000000, 0.0004925800000000 ] - [ 0.0000822500000000, -0.0001598000000000, 0.0000091800000000 ] - [ -0.0000693900000000, -0.0001955200000000, 0.0000306500000000 ] - [ -0.0001757400000000, -0.0001702100000000, 0.0002006000000000 ] - [ -0.0001155700000000, -0.0000221900000000, -0.0003431700000000 ] - [ 0.0001156200000000, -0.0002275900000000, -0.0000585700000000 ] - [ -0.0000388400000000, -0.0011506300000000, -0.0004101800000000 ] - [ 0.0002649900000000, -0.0000436800000000, -0.0001205200000000 ] - [ -0.0081508200000000, 0.0070231900000000, 0.0044131800000000 ] - [ 0.0003516700000000, 0.0000498600000000, 0.0001317300000000 ] - [ 0.0000359900000000, -0.0002148400000000, 0.0002047100000000 ] - [ -0.0000784400000000, -0.0000529100000000, 0.0002641400000000 ] - [ -0.0053492400000000, -0.0043017700000000, 0.0003413500000000 ] - [ 0.0002683100000000, -0.0001155800000000, -0.0001665000000000 ] - [ -0.0000144800000000, -0.0000252500000000, -0.0000485100000000 ] - [ 0.0000590300000000, -0.0001081500000000, 0.0003614200000000 ] - [ 0.0001906300000000, 0.0000584300000000, 0.0000041300000000 ] - [ -0.0001641700000000, -0.0002347800000000, 0.0002026800000000 ] - [ -0.0000531600000000, -0.0000627500000000, 0.0001838600000000 ] - [ 0.0001133500000000, -0.0001079800000000, -0.0000268000000000 ] - [ 0.0005988500000000, -0.0000932700000000, -0.0002425200000000 ] - [ 0.0004608600000000, -0.0000861000000000, 0.0004229100000000 ] - [ -0.0044764500000000, -0.0018339700000000, -0.0026007800000000 ] - [ 0.0007727000000000, 0.0000632300000000, -0.0002424200000000 ] - [ -0.0010882000000000, -0.0000397100000000, 0.0000448800000000 ] - [ -0.0002807600000000, -0.0001324000000000, 0.0000278500000000 ] - [ -0.0004570600000000, -0.0000922500000000, -0.0000304700000000 ] - [ -0.0004830200000000, -0.0000028000000000, 0.0001901600000000 ] - [ -0.0003643000000000, 0.0001262400000000, -0.0001213200000000 ] - [ -0.0000551700000000, 0.0001387900000000, 0.0002018000000000 ] - [ -0.0003495600000000, -0.0000189200000000, 0.0001242200000000 ] - [ -0.0000914200000000, 0.0000951300000000, 0.0002935400000000 ] - [ -0.0048056500000000, -0.0007031700000000, 0.0036939400000000 ] - [ 0.0005940000000000, -0.0001133600000000, -0.0000987300000000 ] - [ 0.0001531400000000, 0.0000771000000000, -0.0002798400000000 ] - [ 0.0002656000000000, 0.0000908000000000, -0.0000395900000000 ] - [ 0.0001442500000000, -0.0001757600000000, -0.0000461000000000 ] - [ -0.0003495100000000, -0.0002210200000000, 0.0001495700000000 ] - [ -0.0006931800000000, -0.0002249000000000, 0.0001673400000000 ] - [ -0.0000599700000000, -0.0001690600000000, 0.0001061800000000 ] - [ -0.0025909600000000, -0.0000016000000000, 0.0002755000000000 ] - [ 0.0006601600000000, -0.0002508600000000, -0.0002224000000000 ] - [ 0.0002357400000000, -0.0000841700000000, -0.0002085400000000 ] - [ 0.0003751500000000, -0.0002414900000000, 0.0000479300000000 ] - [ 0.0001858500000000, 0.0001275200000000, 0.0002858100000000 ] - [ 0.0005490100000000, 0.0001864300000000, 0.0003790900000000 ] - [ 0.0006466100000000, 0.0002930100000000, 0.0001713200000000 ] - [ 0.0013019600000000, -0.0000621100000000, 0.0005754800000000 ] - [ 0.0002324500000000, 0.0003666800000000, -0.0000626400000000 ] - [ 0.0003813300000000, -0.0003480500000000, -0.0002638400000000 ] - [ -0.0003717000000000, 0.0001804300000000, -0.0002707200000000 ] - [ -0.0004767100000000, 0.0001434400000000, -0.0003061900000000 ] - [ 0.0017352800000000, 0.0003077800000000, 0.0000549100000000 ] - [ -0.0002010100000000, 0.0000691500000000, -0.0000022800000000 ] - [ -0.0007203600000000, 0.0002447600000000, 0.0007468300000000 ] - [ -0.0004047200000000, -0.0001368500000000, -0.0003864800000000 ] - [ -0.0007245800000000, 0.0005009000000000, 0.0004515000000000 ] - [ -0.0006460600000000, -0.0005000000000000, -0.0001394600000000 ] - [ 0.0000660700000000, 0.0002015000000000, -0.0000899600000000 ] - [ -0.0000389900000000, 0.0001531600000000, -0.0000592200000000 ] - [ -0.0009661700000000, -0.0001279000000000, 0.0007261000000000 ] - [ -0.0011806900000000, 0.0001611100000000, -0.0005923400000000 ] - [ 0.0013342600000000, -0.0004386200000000, 0.0001622800000000 ] - [ -0.0006074000000000, -0.0001148800000000, -0.0000533000000000 ] - [ 0.0024157700000000, -0.0003425900000000, 0.0002592500000000 ] - [ 0.0000318800000000, -0.0000735700000000, 0.0000033900000000 ] - [ 0.0003968400000000, -0.0000757700000000, 0.0000784100000000 ] - [ 0.0002958200000000, -0.0000938100000000, -0.0001748400000000 ] - [ 0.0443146400000000, -0.0041465300000000, -0.0010209800000000 ] - [ -0.0002892000000000, 0.0002127200000000, 0.0004116200000000 ] - [ 0.0001000800000000, 0.0001781100000000, 0.0004519400000000 ] - [ -0.0000432700000000, 0.0002563100000000, 0.0001243900000000 ] - [ -0.0001122900000000, 0.0001825300000000, -0.0002287900000000 ] - [ -0.0001530300000000, 0.0001011400000000, -0.0004602300000000 ] - [ 0.0005699300000000, 0.0002085200000000, -0.0007568100000000 ] - [ -0.0003591400000000, 0.0001706000000000, -0.0003368900000000 ] - [ -0.0047944700000000, 0.0002274300000000, -0.0003914800000000 ] - [ -0.0043416800000000, -0.0001404600000000, -0.0002758100000000 ] - [ -0.0001093800000000, -0.0000381600000000, -0.0003240000000000 ] - [ -0.0000055000000000, 0.0000204600000000, -0.0003617900000000 ] - [ 0.0003628200000000, 0.0000393700000000, 0.0003304500000000 ] - [ -0.0000150700000000, 0.0000016400000000, 0.0002499400000000 ] - [ -0.0000626700000000, 0.0002620400000000, 0.0003842900000000 ] - [ -0.0001521000000000, 0.0001551500000000, -0.0000529900000000 ]- atom: 129 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005922400000000, 0.0000260000000000, -0.0002345800000000 ] - [ -0.0002302600000000, 0.0003774400000000, 0.0004036800000000 ] - [ -0.0023718500000000, -0.0015651300000000, -0.0021848900000000 ] - [ -0.0005054300000000, -0.0001660000000000, -0.0000732600000000 ] - [ -0.0010937500000000, 0.0018507200000000, -0.0021337400000000 ] - [ 0.0003722300000000, -0.0000035000000000, -0.0001770400000000 ] - [ 0.0000747000000000, 0.0000521000000000, -0.0001917400000000 ] - [ 0.0001821500000000, 0.0000787500000000, -0.0001880900000000 ] - [ -0.0001163100000000, -0.0001509500000000, 0.0001091700000000 ] - [ -0.0000328900000000, -0.0000534800000000, 0.0001432600000000 ] - [ -0.0022015000000000, 0.0009079700000000, 0.0016113100000000 ] - [ 0.0004208200000000, -0.0000924400000000, 0.0001586900000000 ] - [ -0.0024881000000000, 0.0025946100000000, -0.0027564700000000 ] - [ 0.0003692600000000, -0.0000413600000000, 0.0002242100000000 ] - [ 0.0003888300000000, -0.0001601100000000, 0.0001520900000000 ] - [ 0.0003436800000000, -0.0001569500000000, 0.0001867400000000 ] - [ 0.0028968900000000, 0.0021511300000000, -0.0010701300000000 ] - [ 0.0001024100000000, -0.0001632100000000, -0.0000240000000000 ] - [ 0.0003502700000000, -0.0002201800000000, 0.0000528500000000 ] - [ 0.0002278600000000, -0.0002554000000000, 0.0000114100000000 ] - [ -0.0010250000000000, 0.0001073700000000, 0.0001605900000000 ] - [ -0.0003719100000000, -0.0000766200000000, -0.0001685200000000 ] - [ 0.0021829400000000, -0.0011168300000000, -0.0016317000000000 ] - [ -0.0007596100000000, -0.0004259300000000, -0.0004277200000000 ] - [ 0.0016706000000000, -0.0032579900000000, 0.0024375500000000 ] - [ 0.0002037700000000, -0.0003416700000000, 0.0003286100000000 ] - [ 0.0006708400000000, -0.0001130200000000, 0.0004680900000000 ] - [ 0.0000091100000000, 0.0000845200000000, 0.0003928800000000 ] - [ 0.0006158700000000, -0.0001842300000000, -0.0001371500000000 ] - [ -0.0005053800000000, -0.0001588300000000, -0.0005508200000000 ] - [ -0.0002586600000000, 0.0000311100000000, -0.0004369300000000 ] - [ -0.0002412300000000, -0.0000451200000000, -0.0003323500000000 ] - [ 0.0002008300000000, -0.0004409700000000, 0.0003039000000000 ] - [ -0.0000555500000000, 0.0001639100000000, -0.0001062700000000 ] - [ -0.0001112200000000, 0.0001444000000000, -0.0000614300000000 ] - [ -0.0000833700000000, 0.0001873500000000, -0.0000778800000000 ] - [ 0.0001556300000000, 0.0001988100000000, 0.0001787800000000 ] - [ 0.0000140100000000, 0.0001243500000000, -0.0001224900000000 ] - [ 0.0002578900000000, 0.0004949000000000, 0.0002658000000000 ] - [ 0.0003104300000000, 0.0002603800000000, 0.0001704200000000 ] - [ 0.0004894100000000, 0.0001293700000000, -0.0001660500000000 ] - [ 0.0001498800000000, 0.0002721900000000, 0.0000007100000000 ] - [ 0.0003565600000000, 0.0057495500000000, -0.0007255500000000 ] - [ 0.0001160900000000, 0.0002613800000000, 0.0000356800000000 ] - [ 0.0016202900000000, 0.0059705400000000, 0.0041104700000000 ] - [ -0.0000891400000000, 0.0001905200000000, 0.0000087400000000 ] - [ -0.0001335100000000, 0.0002372100000000, 0.0000185700000000 ] - [ -0.0000262000000000, 0.0001980900000000, 0.0000251900000000 ] - [ -0.0001114600000000, -0.0001441800000000, 0.0000141200000000 ] - [ 0.0000898700000000, -0.0005095200000000, 0.0001810700000000 ] - [ 0.0000568500000000, -0.0000284100000000, 0.0000917000000000 ] - [ 0.0000625400000000, 0.0000489200000000, -0.0000157500000000 ] - [ 0.0001298300000000, -0.0000340800000000, 0.0000543600000000 ] - [ 0.0001463300000000, -0.0001180400000000, -0.0000119100000000 ] - [ -0.0004377300000000, 0.0001155500000000, 0.0008161900000000 ] - [ 0.0000869300000000, -0.0000935600000000, -0.0001013900000000 ] - [ -0.0026513500000000, 0.0037578700000000, -0.0017309800000000 ] - [ -0.0002338300000000, 0.0003713300000000, 0.0000058000000000 ] - [ -0.0001960800000000, 0.0003741700000000, 0.0000536800000000 ] - [ -0.0000479400000000, 0.0005348900000000, 0.0002235000000000 ] - [ -0.0000273800000000, -0.0011559600000000, 0.0000566300000000 ] - [ -0.0001819100000000, -0.0002858500000000, 0.0001046900000000 ] - [ -0.0001650600000000, -0.0003299500000000, 0.0001176600000000 ] - [ -0.0001258100000000, -0.0002657500000000, 0.0001382600000000 ] - [ -0.0000360500000000, -0.0001861200000000, 0.0001195400000000 ] - [ 0.0000112000000000, -0.0001448000000000, -0.0001088900000000 ] - [ 0.0004175900000000, -0.0000652300000000, -0.0005349300000000 ] - [ -0.0000747500000000, -0.0001674200000000, -0.0002374100000000 ] - [ -0.0077302500000000, 0.0072362500000000, 0.0041359300000000 ] - [ -0.0000699000000000, -0.0000491000000000, 0.0001116300000000 ] - [ -0.0000645400000000, -0.0000924800000000, 0.0001578000000000 ] - [ -0.0000147000000000, -0.0001118000000000, 0.0001391500000000 ] - [ 0.0032873900000000, 0.0053516300000000, 0.0002270600000000 ] - [ -0.0000365300000000, 0.0000529900000000, -0.0000018400000000 ] - [ -0.0001383100000000, -0.0000840200000000, 0.0000366400000000 ] - [ 0.0001260800000000, -0.0001459300000000, 0.0002442800000000 ] - [ -0.0001608700000000, -0.0000228800000000, 0.0000744100000000 ] - [ 0.0002426700000000, -0.0001555600000000, 0.0002863100000000 ] - [ -0.0000443000000000, -0.0001483300000000, -0.0000255600000000 ] - [ -0.0000055700000000, -0.0000768000000000, 0.0000102200000000 ] - [ 0.0004648400000000, 0.0000891500000000, -0.0000356500000000 ] - [ 0.0003535100000000, 0.0000430800000000, -0.0002889500000000 ] - [ 0.0010717800000000, 0.0014214200000000, 0.0005697800000000 ] - [ 0.0005276300000000, 0.0000287900000000, -0.0001344400000000 ] - [ -0.0001059800000000, -0.0010006100000000, 0.0002996900000000 ] - [ -0.0004559500000000, -0.0001453800000000, 0.0000183500000000 ] - [ -0.0004799300000000, -0.0001138400000000, 0.0000833700000000 ] - [ -0.0004915200000000, -0.0000237000000000, 0.0000821600000000 ] - [ -0.0001650000000000, -0.0000841700000000, -0.0000312600000000 ] - [ -0.0002429000000000, 0.0000198500000000, 0.0001605300000000 ] - [ -0.0006463000000000, -0.0004835300000000, 0.0006306400000000 ] - [ -0.0001504300000000, 0.0000194600000000, 0.0002540600000000 ] - [ 0.0019565000000000, 0.0013947400000000, -0.0021722200000000 ] - [ 0.0003383400000000, 0.0000921900000000, -0.0001531200000000 ] - [ 0.0002106200000000, 0.0001561300000000, -0.0002135100000000 ] - [ 0.0002290400000000, 0.0001222400000000, -0.0001236200000000 ] - [ -0.0013551300000000, -0.0006263400000000, 0.0003659900000000 ] - [ 0.0001193500000000, -0.0002883200000000, 0.0001870000000000 ] - [ -0.0003708400000000, -0.0003181300000000, 0.0000779400000000 ] - [ -0.0002146000000000, -0.0002273000000000, 0.0000729100000000 ] - [ 0.0000108600000000, 0.0013928700000000, 0.0007474200000000 ] - [ 0.0002977700000000, -0.0001324100000000, -0.0001567600000000 ] - [ -0.0004043600000000, 0.0000387200000000, -0.0000333900000000 ] - [ 0.0004899400000000, -0.0001940800000000, -0.0001026900000000 ] - [ 0.0003502400000000, 0.0000941000000000, 0.0003486200000000 ] - [ 0.0003993200000000, 0.0001314000000000, 0.0003413700000000 ] - [ 0.0003580700000000, 0.0000521200000000, 0.0002555200000000 ] - [ 0.0015454100000000, 0.0000496300000000, 0.0006372400000000 ] - [ -0.0008763500000000, 0.0003557300000000, -0.0004924400000000 ] - [ 0.0003580900000000, 0.0002953000000000, -0.0005411500000000 ] - [ -0.0004457100000000, 0.0002172700000000, -0.0002102400000000 ] - [ -0.0004009200000000, 0.0001711200000000, -0.0001760800000000 ] - [ -0.0001946900000000, -0.0002315400000000, -0.0017457100000000 ] - [ 0.0000291400000000, 0.0000127100000000, -0.0000156000000000 ] - [ -0.0002583100000000, 0.0000255100000000, 0.0004197800000000 ] - [ -0.0001612100000000, -0.0000689700000000, 0.0001434700000000 ] - [ -0.0005026300000000, 0.0007829200000000, 0.0004441800000000 ] - [ 0.0001352400000000, 0.0008531300000000, 0.0000954500000000 ] - [ -0.0001043200000000, 0.0002651200000000, -0.0000906000000000 ] - [ -0.0000370700000000, 0.0002386300000000, -0.0000121900000000 ] - [ 0.0001716800000000, -0.0002592000000000, -0.0006657900000000 ] - [ -0.0006478900000000, -0.0001497500000000, -0.0002985500000000 ] - [ 0.0000476300000000, -0.0002187600000000, 0.0013000500000000 ] - [ -0.0003578100000000, -0.0002047200000000, 0.0000595400000000 ] - [ 0.0006539700000000, 0.0036513200000000, 0.0015929500000000 ] - [ 0.0004366800000000, -0.0000214600000000, 0.0000912400000000 ] - [ 0.0005223700000000, 0.0000269900000000, -0.0000654200000000 ] - [ 0.0003479900000000, -0.0000170200000000, -0.0000165100000000 ] - [ 0.0044606800000000, -0.0356152200000000, -0.0032186700000000 ] - [ 0.0000721200000000, 0.0000545900000000, 0.0003823700000000 ] - [ 0.0001060600000000, 0.0000371300000000, 0.0002197600000000 ] - [ 0.0000278700000000, 0.0001378400000000, 0.0002683100000000 ] - [ -0.0001030300000000, 0.0004287800000000, -0.0006307700000000 ] - [ -0.0001845100000000, 0.0002919400000000, -0.0005372600000000 ] - [ -0.0000750600000000, 0.0016273900000000, 0.0002418700000000 ] - [ -0.0001143000000000, 0.0003110400000000, -0.0003893700000000 ] - [ -0.0000676100000000, -0.0015098700000000, -0.0000180200000000 ] - [ -0.0001672900000000, -0.0011682100000000, -0.0005757700000000 ] - [ -0.0000873600000000, -0.0001171500000000, -0.0004146800000000 ] - [ -0.0001323100000000, -0.0001073300000000, -0.0003247700000000 ] - [ 0.0001426600000000, 0.0002667400000000, 0.0000664500000000 ] - [ 0.0001631700000000, 0.0001597900000000, 0.0001684100000000 ] - [ 0.0000184200000000, 0.0004251500000000, 0.0004734600000000 ] - [ 0.0000212400000000, 0.0004623900000000, 0.0001727400000000 ]- atom: 129 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001967300000000, -0.0002184600000000, -0.0000657600000000 ] - [ -0.0005607800000000, -0.0005741400000000, -0.0007012400000000 ] - [ 0.0015904800000000, 0.0013977600000000, 0.0018836700000000 ] - [ -0.0002842700000000, -0.0000257000000000, -0.0002252700000000 ] - [ 0.0012645800000000, -0.0018447000000000, 0.0017652300000000 ] - [ -0.0002100700000000, 0.0000159800000000, -0.0001911300000000 ] - [ 0.0000875600000000, -0.0000402400000000, -0.0001759200000000 ] - [ -0.0000182100000000, -0.0000653400000000, -0.0001781500000000 ] - [ -0.0000452000000000, 0.0001615000000000, 0.0002601000000000 ] - [ -0.0001292500000000, 0.0000636500000000, 0.0002252200000000 ] - [ 0.0020256500000000, -0.0009161900000000, -0.0012272500000000 ] - [ -0.0005793500000000, 0.0001035500000000, 0.0002078500000000 ] - [ 0.0032566600000000, -0.0027581800000000, 0.0030269400000000 ] - [ 0.0004227900000000, -0.0001518100000000, 0.0000716700000000 ] - [ 0.0003995100000000, -0.0000331800000000, 0.0001457300000000 ] - [ 0.0004418200000000, -0.0000370800000000, 0.0001096200000000 ] - [ -0.0022189000000000, -0.0025893200000000, 0.0011947200000000 ] - [ 0.0005525600000000, -0.0002700700000000, 0.0001672600000000 ] - [ 0.0003067900000000, -0.0002122600000000, 0.0000900500000000 ] - [ 0.0004223700000000, -0.0001780600000000, 0.0001309000000000 ] - [ 0.0003597600000000, -0.0005379700000000, -0.0003019900000000 ] - [ -0.0002842500000000, -0.0003578600000000, 0.0000260100000000 ] - [ -0.0028470300000000, 0.0006767000000000, 0.0014993500000000 ] - [ 0.0001028300000000, -0.0000105500000000, 0.0002835500000000 ] - [ -0.0012447800000000, 0.0029724400000000, -0.0017650600000000 ] - [ 0.0002084700000000, 0.0000420100000000, 0.0003307600000000 ] - [ -0.0002611800000000, -0.0001875100000000, 0.0001880300000000 ] - [ 0.0004033200000000, -0.0003847500000000, 0.0002577000000000 ] - [ -0.0010246000000000, -0.0001145600000000, -0.0005183800000000 ] - [ 0.0000919800000000, -0.0001453200000000, -0.0001057500000000 ] - [ -0.0001538400000000, -0.0003301200000000, -0.0002227700000000 ] - [ -0.0001695800000000, -0.0002558300000000, -0.0003254900000000 ] - [ -0.0004331100000000, 0.0008206300000000, -0.0004640000000000 ] - [ -0.0001768900000000, 0.0002157100000000, -0.0000554500000000 ] - [ -0.0001205300000000, 0.0002350600000000, -0.0000989400000000 ] - [ -0.0001491600000000, 0.0001921100000000, -0.0000829000000000 ] - [ 0.0000756700000000, 0.0001805900000000, -0.0000161500000000 ] - [ 0.0002159400000000, 0.0002540900000000, 0.0002832000000000 ] - [ -0.0000311000000000, -0.0001201100000000, -0.0001071700000000 ] - [ -0.0000795900000000, 0.0001190700000000, -0.0000086000000000 ] - [ -0.0002940900000000, 0.0003181100000000, 0.0001861600000000 ] - [ 0.0000412500000000, 0.0001767400000000, 0.0000206500000000 ] - [ -0.0001898500000000, -0.0054888500000000, 0.0008691200000000 ] - [ 0.0000737900000000, 0.0001855400000000, -0.0000153200000000 ] - [ -0.0017454500000000, -0.0051833600000000, -0.0040183100000000 ] - [ -0.0001016600000000, 0.0002570400000000, -0.0000294200000000 ] - [ -0.0000584000000000, 0.0002108400000000, -0.0000401200000000 ] - [ -0.0001651300000000, 0.0002494800000000, -0.0000462100000000 ] - [ 0.0002804800000000, 0.0004784500000000, -0.0000413500000000 ] - [ 0.0000809100000000, 0.0008421100000000, -0.0002037300000000 ] - [ 0.0001119100000000, 0.0003611300000000, -0.0001166500000000 ] - [ 0.0001057400000000, 0.0002850200000000, -0.0000103500000000 ] - [ 0.0001162900000000, -0.0003583300000000, -0.0002278200000000 ] - [ 0.0000992800000000, -0.0002745800000000, -0.0001623300000000 ] - [ 0.0006829100000000, -0.0005044100000000, -0.0009837700000000 ] - [ 0.0001590000000000, -0.0002977400000000, -0.0000730700000000 ] - [ 0.0024332400000000, -0.0034213300000000, 0.0017134700000000 ] - [ 0.0000651400000000, -0.0000368000000000, 0.0000200000000000 ] - [ 0.0000275500000000, -0.0000397800000000, -0.0000266400000000 ] - [ -0.0001213100000000, -0.0002015100000000, -0.0001970400000000 ] - [ -0.0002247200000000, 0.0007638000000000, 0.0001164500000000 ] - [ -0.0000648500000000, -0.0001069000000000, 0.0000692100000000 ] - [ -0.0000818600000000, -0.0000626800000000, 0.0000554800000000 ] - [ -0.0001208600000000, -0.0001262400000000, 0.0000356700000000 ] - [ 0.0000459900000000, -0.0000332300000000, -0.0004117700000000 ] - [ -0.0000010200000000, -0.0000736500000000, -0.0001846500000000 ] - [ -0.0004034100000000, -0.0001473900000000, 0.0002375300000000 ] - [ 0.0000852400000000, -0.0000521400000000, -0.0000567500000000 ] - [ 0.0079687500000000, -0.0076344200000000, -0.0039242000000000 ] - [ 0.0000578600000000, -0.0001704500000000, 0.0001812300000000 ] - [ 0.0000534000000000, -0.0001266300000000, 0.0001352200000000 ] - [ 0.0000030000000000, -0.0001070800000000, 0.0001540200000000 ] - [ -0.0035149500000000, -0.0055298200000000, -0.0003112700000000 ] - [ -0.0000307000000000, -0.0000975300000000, -0.0000239100000000 ] - [ 0.0000710800000000, 0.0000395900000000, -0.0000619900000000 ] - [ -0.0001919500000000, 0.0000997600000000, -0.0002660400000000 ] - [ 0.0002288400000000, -0.0000210400000000, -0.0000477900000000 ] - [ -0.0001713400000000, 0.0001109100000000, -0.0002578900000000 ] - [ 0.0001139500000000, 0.0001045500000000, 0.0000509400000000 ] - [ 0.0000738700000000, 0.0000325200000000, 0.0000159500000000 ] - [ 0.0004831900000000, -0.0002112600000000, -0.0001018900000000 ] - [ 0.0005955300000000, -0.0001648400000000, 0.0001526900000000 ] - [ -0.0001330200000000, -0.0015562500000000, -0.0007087100000000 ] - [ 0.0004201100000000, -0.0001487800000000, -0.0000041800000000 ] - [ -0.0008430500000000, 0.0008808700000000, -0.0001600700000000 ] - [ -0.0004915400000000, 0.0000244200000000, 0.0001197600000000 ] - [ -0.0004671900000000, -0.0000081600000000, 0.0000536000000000 ] - [ -0.0004555500000000, -0.0000974900000000, 0.0000554300000000 ] - [ -0.0002791600000000, 0.0002380200000000, 0.0003215700000000 ] - [ -0.0002004000000000, 0.0001361300000000, 0.0001255400000000 ] - [ 0.0001995500000000, 0.0006414300000000, -0.0003410500000000 ] - [ -0.0002928900000000, 0.0001365900000000, 0.0000326900000000 ] - [ -0.0014566300000000, -0.0012039000000000, 0.0018446500000000 ] - [ 0.0001043100000000, 0.0000637000000000, -0.0001324300000000 ] - [ 0.0002327200000000, -0.0000004600000000, -0.0000716600000000 ] - [ 0.0002141600000000, 0.0000323100000000, -0.0001624200000000 ] - [ 0.0008231500000000, 0.0002340100000000, -0.0001016300000000 ] - [ -0.0006448700000000, -0.0001028600000000, 0.0000774100000000 ] - [ -0.0001583600000000, -0.0000723700000000, 0.0001861600000000 ] - [ -0.0003131300000000, -0.0001637700000000, 0.0001905900000000 ] - [ 0.0005251400000000, -0.0017977900000000, -0.0010317400000000 ] - [ 0.0002303300000000, -0.0002589900000000, -0.0001074300000000 ] - [ 0.0009389300000000, -0.0004319000000000, -0.0002315200000000 ] - [ 0.0000389800000000, -0.0001970600000000, -0.0001604700000000 ] - [ 0.0004647000000000, 0.0002358500000000, 0.0002257600000000 ] - [ 0.0004154200000000, 0.0001981500000000, 0.0002331000000000 ] - [ 0.0004588700000000, 0.0002765200000000, 0.0003194500000000 ] - [ -0.0007286300000000, 0.0002812800000000, -0.0000592400000000 ] - [ 0.0000602600000000, -0.0000254800000000, -0.0000827400000000 ] - [ -0.0011723300000000, 0.0000376000000000, -0.0000388000000000 ] - [ -0.0003691200000000, 0.0001128000000000, -0.0003638100000000 ] - [ -0.0004138800000000, 0.0001583600000000, -0.0003976300000000 ] - [ 0.0002371000000000, 0.0004656500000000, 0.0017637600000000 ] - [ 0.0000149200000000, 0.0002234900000000, 0.0000387600000000 ] - [ 0.0003063500000000, 0.0002095100000000, -0.0003995700000000 ] - [ 0.0002020000000000, 0.0003024300000000, -0.0001209600000000 ] - [ 0.0004589000000000, -0.0005460400000000, -0.0004661100000000 ] - [ -0.0001807200000000, -0.0006152900000000, -0.0001195400000000 ] - [ 0.0000608200000000, -0.0000282500000000, 0.0000680000000000 ] - [ -0.0000069400000000, -0.0000024800000000, -0.0000109400000000 ] - [ -0.0009280200000000, 0.0000324700000000, 0.0006310600000000 ] - [ -0.0001078100000000, -0.0000779200000000, 0.0002645700000000 ] - [ -0.0008055300000000, -0.0000151500000000, -0.0013365600000000 ] - [ -0.0003984000000000, -0.0000219000000000, -0.0000959000000000 ] - [ 0.0001047600000000, -0.0039236200000000, -0.0015839300000000 ] - [ 0.0003198600000000, -0.0002054900000000, -0.0000559600000000 ] - [ 0.0002350400000000, -0.0002545200000000, 0.0001021900000000 ] - [ 0.0004076800000000, -0.0002098000000000, 0.0000520400000000 ] - [ -0.0044128400000000, 0.0361636700000000, 0.0040174600000000 ] - [ 0.0001083500000000, 0.0003382400000000, 0.0003794400000000 ] - [ 0.0000747200000000, 0.0003557700000000, 0.0005440000000000 ] - [ 0.0001520300000000, 0.0002550000000000, 0.0004942100000000 ] - [ -0.0000766200000000, -0.0000346900000000, -0.0001324700000000 ] - [ 0.0000028200000000, 0.0001009100000000, -0.0002257800000000 ] - [ -0.0001044000000000, -0.0012330200000000, -0.0010049200000000 ] - [ -0.0000658000000000, 0.0000822500000000, -0.0003736500000000 ] - [ -0.0001811400000000, 0.0015455400000000, -0.0005331500000000 ] - [ -0.0000610400000000, 0.0012071900000000, 0.0000251100000000 ] - [ -0.0001503800000000, 0.0001529900000000, -0.0001375800000000 ] - [ -0.0001056000000000, 0.0001427900000000, -0.0002279600000000 ] - [ 0.0000957900000000, -0.0002297200000000, 0.0004853100000000 ] - [ 0.0000748600000000, -0.0001229400000000, 0.0003843800000000 ] - [ 0.0002185900000000, -0.0003891400000000, 0.0000805800000000 ] - [ 0.0002168100000000, -0.0004258600000000, 0.0003802400000000 ]- atom: 129 displacement: [ -0.0045549923526468, 0.0000000000000000, 0.0089023617466001 ] forces: - [ -0.0009214300000000, -0.0001532900000000, -0.0000659300000000 ] - [ 0.0000657800000000, 0.0003921600000000, 0.0008719400000000 ] - [ 0.0009166900000000, -0.0010166100000000, 0.0018036600000000 ] - [ -0.0005767500000000, -0.0002441600000000, -0.0000217500000000 ] - [ 0.0003199100000000, 0.0003232200000000, -0.0029389200000000 ] - [ -0.0002825900000000, 0.0000390300000000, -0.0000374100000000 ] - [ -0.0000242700000000, -0.0000021000000000, -0.0001475300000000 ] - [ 0.0002339000000000, 0.0000431600000000, -0.0001073700000000 ] - [ -0.0000058300000000, -0.0000439300000000, 0.0003604600000000 ] - [ -0.0000462100000000, -0.0000149100000000, 0.0002969800000000 ] - [ -0.0013357700000000, 0.0046069200000000, -0.0015789800000000 ] - [ -0.0004649000000000, -0.0000092300000000, 0.0002659200000000 ] - [ 0.0013110100000000, 0.0000823000000000, -0.0015222900000000 ] - [ 0.0001061500000000, -0.0000886800000000, 0.0001216400000000 ] - [ 0.0001334000000000, -0.0001794900000000, 0.0005438200000000 ] - [ 0.0005738600000000, -0.0001054700000000, 0.0004491100000000 ] - [ 0.0017306900000000, -0.0033102500000000, -0.0020093000000000 ] - [ -0.0002831900000000, -0.0001920900000000, -0.0005413500000000 ] - [ 0.0002133100000000, -0.0000121200000000, 0.0003231400000000 ] - [ 0.0004932000000000, -0.0002579800000000, 0.0001677100000000 ] - [ -0.0021919000000000, 0.0004114500000000, 0.0011696400000000 ] - [ -0.0001138400000000, -0.0001062200000000, -0.0002088800000000 ] - [ -0.0017965000000000, -0.0005522600000000, 0.0013252100000000 ] - [ -0.0006501700000000, -0.0004447200000000, -0.0004750900000000 ] - [ 0.0043938800000000, 0.0008800900000000, 0.0006842900000000 ] - [ 0.0001364400000000, -0.0000428400000000, 0.0004363600000000 ] - [ -0.0003003100000000, -0.0002123800000000, 0.0003053600000000 ] - [ 0.0004183700000000, -0.0003707600000000, 0.0006227300000000 ] - [ -0.0005060500000000, -0.0001564400000000, -0.0003099700000000 ] - [ -0.0001954700000000, -0.0002492600000000, -0.0004696800000000 ] - [ -0.0002231300000000, -0.0001257700000000, -0.0004190400000000 ] - [ -0.0003019800000000, -0.0000497600000000, -0.0001535400000000 ] - [ -0.0010657200000000, 0.0003164900000000, 0.0004687600000000 ] - [ 0.0003496200000000, 0.0000442600000000, 0.0001867700000000 ] - [ 0.0000851600000000, 0.0001839100000000, -0.0003017500000000 ] - [ -0.0002189400000000, 0.0002333500000000, -0.0002201600000000 ] - [ 0.0001859300000000, 0.0000686700000000, -0.0001318100000000 ] - [ 0.0000318800000000, -0.0000194600000000, -0.0002161100000000 ] - [ -0.0001924900000000, 0.0004071800000000, -0.0000000500000000 ] - [ 0.0004316800000000, 0.0002820100000000, 0.0001974900000000 ] - [ 0.0011950400000000, 0.0000159600000000, -0.0007246200000000 ] - [ -0.0004230300000000, 0.0000885500000000, -0.0002291400000000 ] - [ -0.0011491600000000, -0.0018290200000000, 0.0007377100000000 ] - [ 0.0001600600000000, 0.0002560700000000, 0.0000558200000000 ] - [ -0.0007202100000000, 0.0017666300000000, 0.0019400600000000 ] - [ -0.0000157300000000, 0.0001860900000000, 0.0001012400000000 ] - [ 0.0000266400000000, 0.0002383500000000, -0.0002536500000000 ] - [ -0.0002561800000000, 0.0002773700000000, -0.0001559300000000 ] - [ 0.0002120700000000, 0.0000801700000000, 0.0000101900000000 ] - [ -0.0000543900000000, 0.0000986200000000, 0.0001577300000000 ] - [ 0.0000092200000000, 0.0003010100000000, -0.0001445800000000 ] - [ 0.0001820600000000, 0.0001525300000000, -0.0001082400000000 ] - [ 0.0001620100000000, -0.0000449300000000, -0.0005024800000000 ] - [ 0.0000738600000000, -0.0001740500000000, -0.0002168700000000 ] - [ -0.0074751400000000, -0.0015957600000000, 0.0103315200000000 ] - [ 0.0002455900000000, -0.0001934800000000, 0.0001104500000000 ] - [ -0.0000013100000000, -0.0009337100000000, 0.0020858500000000 ] - [ 0.0001957300000000, 0.0001110800000000, 0.0000102000000000 ] - [ 0.0001281500000000, 0.0002545200000000, -0.0001538300000000 ] - [ -0.0003266600000000, 0.0000341300000000, -0.0003630100000000 ] - [ -0.0002289000000000, -0.0007888000000000, 0.0008789900000000 ] - [ 0.0000530700000000, -0.0001911300000000, 0.0001797600000000 ] - [ -0.0001103100000000, -0.0003388600000000, -0.0001227100000000 ] - [ -0.0001899100000000, -0.0002586500000000, -0.0000209500000000 ] - [ 0.0000354300000000, 0.0000955300000000, -0.0004552600000000 ] - [ -0.0000339300000000, -0.0001123400000000, -0.0002257400000000 ] - [ 0.0001013100000000, -0.0014319500000000, -0.0001599000000000 ] - [ 0.0001084100000000, -0.0001026700000000, -0.0000532000000000 ] - [ -0.0065625700000000, 0.0057631900000000, 0.0040605400000000 ] - [ 0.0001779600000000, -0.0000156700000000, 0.0001950000000000 ] - [ 0.0001288100000000, -0.0000593700000000, -0.0001300700000000 ] - [ -0.0000238600000000, -0.0000730900000000, 0.0000402500000000 ] - [ -0.0016436600000000, -0.0006117700000000, 0.0007102700000000 ] - [ 0.0001611700000000, -0.0000827100000000, -0.0000272400000000 ] - [ 0.0000674600000000, 0.0000066300000000, -0.0001178200000000 ] - [ -0.0001584500000000, 0.0001296300000000, -0.0003619600000000 ] - [ 0.0001655300000000, 0.0000779500000000, 0.0000614400000000 ] - [ -0.0001512200000000, 0.0002002000000000, 0.0000185900000000 ] - [ -0.0001304000000000, -0.0001547100000000, 0.0000637700000000 ] - [ 0.0001290400000000, -0.0001413200000000, -0.0000305700000000 ] - [ 0.0006295500000000, -0.0000583100000000, -0.0002154200000000 ] - [ 0.0003117600000000, -0.0001098300000000, -0.0001337500000000 ] - [ 0.0016516800000000, 0.0012226500000000, 0.0026337100000000 ] - [ 0.0006923000000000, 0.0000810300000000, -0.0001299800000000 ] - [ -0.0007146300000000, -0.0001099700000000, 0.0005903200000000 ] - [ -0.0003834900000000, -0.0000936000000000, 0.0001068300000000 ] - [ -0.0003977100000000, -0.0001349200000000, -0.0001442800000000 ] - [ -0.0005058400000000, -0.0001481400000000, -0.0000436200000000 ] - [ -0.0000907200000000, -0.0001323900000000, 0.0000209500000000 ] - [ -0.0002321900000000, -0.0000214400000000, 0.0002226100000000 ] - [ 0.0000726200000000, 0.0003204300000000, -0.0002428100000000 ] - [ -0.0001844400000000, 0.0000537700000000, 0.0002583100000000 ] - [ -0.0050154100000000, -0.0010238800000000, 0.0054999000000000 ] - [ 0.0002341400000000, 0.0001236300000000, 0.0000481800000000 ] - [ 0.0002778900000000, -0.0000369500000000, -0.0005384500000000 ] - [ 0.0001933300000000, 0.0000804500000000, -0.0002143700000000 ] - [ -0.0000428600000000, -0.0001437200000000, 0.0000086800000000 ] - [ -0.0004051000000000, -0.0001492500000000, 0.0001550600000000 ] - [ -0.0005221400000000, -0.0003537200000000, 0.0000655400000000 ] - [ -0.0000831700000000, -0.0001953200000000, 0.0000937800000000 ] - [ -0.0012850100000000, 0.0006437900000000, 0.0036666600000000 ] - [ 0.0004419100000000, -0.0002089000000000, -0.0000756700000000 ] - [ 0.0007854900000000, -0.0001455800000000, -0.0005104700000000 ] - [ -0.0001092800000000, -0.0001143500000000, -0.0003148500000000 ] - [ 0.0003123400000000, 0.0001251100000000, 0.0001555900000000 ] - [ 0.0005550800000000, 0.0001095400000000, 0.0002426100000000 ] - [ 0.0005583900000000, 0.0001864200000000, 0.0005353200000000 ] - [ 0.0010163800000000, 0.0001225400000000, 0.0009010100000000 ] - [ -0.0000385000000000, 0.0001650500000000, 0.0000636500000000 ] - [ 0.0009928400000000, -0.0004735400000000, 0.0001730300000000 ] - [ -0.0004841500000000, 0.0001792600000000, -0.0003380500000000 ] - [ -0.0005008400000000, 0.0002399200000000, -0.0004760100000000 ] - [ 0.0006794300000000, -0.0013316400000000, 0.0026795800000000 ] - [ -0.0000961300000000, -0.0000044900000000, 0.0000457300000000 ] - [ -0.0009389300000000, 0.0003996200000000, 0.0009784000000000 ] - [ 0.0004627800000000, 0.0004937900000000, 0.0000749300000000 ] - [ -0.0004877300000000, 0.0003789600000000, 0.0000960500000000 ] - [ -0.0000213800000000, 0.0001840500000000, -0.0001753800000000 ] - [ -0.0000054500000000, 0.0000824400000000, 0.0004552000000000 ] - [ -0.0000849500000000, 0.0001764500000000, 0.0001072200000000 ] - [ -0.0010663300000000, -0.0002051000000000, 0.0008273100000000 ] - [ -0.0000956000000000, -0.0002625500000000, 0.0002438100000000 ] - [ 0.0003573800000000, 0.0012478100000000, 0.0023853700000000 ] - [ -0.0005159300000000, -0.0001215400000000, -0.0000261900000000 ] - [ 0.0012100100000000, 0.0014022900000000, -0.0003434500000000 ] - [ 0.0002460600000000, -0.0000207400000000, -0.0000940300000000 ] - [ 0.0002646000000000, -0.0000728100000000, 0.0004072200000000 ] - [ 0.0005570700000000, -0.0001538200000000, 0.0001517800000000 ] - [ 0.0214502300000000, -0.0050118000000000, -0.0330677600000000 ] - [ -0.0001106800000000, 0.0002038300000000, 0.0002373500000000 ] - [ 0.0000320700000000, 0.0000418600000000, 0.0007217600000000 ] - [ 0.0002582900000000, 0.0001214400000000, 0.0006687100000000 ] - [ -0.0002351500000000, 0.0004105600000000, -0.0002876300000000 ] - [ -0.0000474100000000, 0.0002903100000000, -0.0003154400000000 ] - [ 0.0005431000000000, -0.0003545300000000, -0.0007404900000000 ] - [ -0.0002517800000000, 0.0001902400000000, -0.0003813200000000 ] - [ -0.0020367300000000, 0.0003206600000000, -0.0016455400000000 ] - [ -0.0021188000000000, -0.0004341900000000, -0.0018614300000000 ] - [ -0.0002098100000000, -0.0000443200000000, 0.0000200000000000 ] - [ -0.0001327800000000, -0.0000257600000000, -0.0000544300000000 ] - [ 0.0002246800000000, 0.0000731300000000, 0.0004220200000000 ] - [ 0.0000731400000000, 0.0001241300000000, 0.0002850400000000 ] - [ -0.0002331900000000, 0.0003769800000000, 0.0002129800000000 ] - [ 0.0001027200000000, 0.0001707400000000, -0.0000070800000000 ]- atom: 129 displacement: [ 0.0045549923526468, 0.0000000000000000, -0.0089023617466001 ] forces: - [ 0.0001297200000000, -0.0000362900000000, -0.0002370200000000 ] - [ -0.0008540900000000, -0.0005874700000000, -0.0011766700000000 ] - [ -0.0017017800000000, 0.0008264100000000, -0.0021034300000000 ] - [ -0.0002122200000000, 0.0000534800000000, -0.0002761800000000 ] - [ -0.0001555200000000, -0.0003057100000000, 0.0025625800000000 ] - [ 0.0004433100000000, -0.0000258600000000, -0.0003332500000000 ] - [ 0.0001841600000000, 0.0000159800000000, -0.0002213100000000 ] - [ -0.0000722700000000, -0.0000292100000000, -0.0002623100000000 ] - [ -0.0001538900000000, 0.0000564700000000, 0.0000098200000000 ] - [ -0.0001147300000000, 0.0000266800000000, 0.0000741800000000 ] - [ 0.0011729800000000, -0.0045619600000000, 0.0019305800000000 ] - [ 0.0003062200000000, 0.0000205500000000, 0.0001042100000000 ] - [ -0.0005135600000000, -0.0002803000000000, 0.0018292900000000 ] - [ 0.0006837500000000, -0.0000985500000000, 0.0001782600000000 ] - [ 0.0006543800000000, -0.0000109400000000, -0.0002440100000000 ] - [ 0.0002145200000000, -0.0000862700000000, -0.0001498100000000 ] - [ -0.0010915400000000, 0.0028706800000000, 0.0021560200000000 ] - [ 0.0009318900000000, -0.0002378600000000, 0.0006818700000000 ] - [ 0.0004361400000000, -0.0004200200000000, -0.0001812000000000 ] - [ 0.0001571300000000, -0.0001762600000000, -0.0000266400000000 ] - [ 0.0015295800000000, -0.0008435600000000, -0.0013108000000000 ] - [ -0.0005389800000000, -0.0003321400000000, 0.0000687500000000 ] - [ 0.0011473400000000, 0.0000984400000000, -0.0014625600000000 ] - [ -0.0000019400000000, 0.0000076200000000, 0.0003319000000000 ] - [ -0.0040100300000000, -0.0011811200000000, -0.0000067600000000 ] - [ 0.0002745700000000, -0.0002604500000000, 0.0002233200000000 ] - [ 0.0007109500000000, -0.0000911200000000, 0.0003539500000000 ] - [ -0.0000074900000000, 0.0000667300000000, 0.0000357900000000 ] - [ 0.0000929500000000, -0.0001453400000000, -0.0003498500000000 ] - [ -0.0002158200000000, -0.0000535400000000, -0.0001916000000000 ] - [ -0.0001864700000000, -0.0001775300000000, -0.0002410300000000 ] - [ -0.0001095100000000, -0.0002520000000000, -0.0005074100000000 ] - [ 0.0008365800000000, 0.0000576200000000, -0.0006258700000000 ] - [ -0.0005781900000000, 0.0003322800000000, -0.0003441000000000 ] - [ -0.0003150800000000, 0.0001937600000000, 0.0001430800000000 ] - [ -0.0000112800000000, 0.0001441000000000, 0.0000614100000000 ] - [ 0.0000445000000000, 0.0003079400000000, 0.0002924800000000 ] - [ 0.0001976600000000, 0.0003982600000000, 0.0003773200000000 ] - [ 0.0004227900000000, -0.0000267300000000, 0.0001608900000000 ] - [ -0.0002002600000000, 0.0000954300000000, -0.0000390100000000 ] - [ -0.0009962200000000, 0.0004316500000000, 0.0007444900000000 ] - [ 0.0006163200000000, 0.0003611600000000, 0.0002511800000000 ] - [ 0.0013207900000000, 0.0022045700000000, -0.0006589700000000 ] - [ 0.0000305000000000, 0.0001917800000000, -0.0000323100000000 ] - [ 0.0005268100000000, -0.0013120400000000, -0.0019668900000000 ] - [ -0.0001744900000000, 0.0002619600000000, -0.0001246400000000 ] - [ -0.0002171700000000, 0.0002097000000000, 0.0002291900000000 ] - [ 0.0000658200000000, 0.0001709100000000, 0.0001317600000000 ] - [ -0.0000398000000000, 0.0002574200000000, -0.0000379900000000 ] - [ 0.0002249900000000, 0.0002382300000000, -0.0001862200000000 ] - [ 0.0001614500000000, 0.0000357200000000, 0.0001173900000000 ] - [ -0.0000118100000000, 0.0001849100000000, 0.0000808900000000 ] - [ 0.0000824300000000, -0.0003501400000000, 0.0003316000000000 ] - [ 0.0001707000000000, -0.0002205200000000, 0.0000445800000000 ] - [ 0.0073511900000000, 0.0012656100000000, -0.0101358800000000 ] - [ -0.0000013000000000, -0.0002015200000000, -0.0002820400000000 ] - [ -0.0001782900000000, 0.0012648900000000, -0.0020633000000000 ] - [ -0.0003666800000000, 0.0002271100000000, 0.0000175400000000 ] - [ -0.0002996300000000, 0.0000832500000000, 0.0001817100000000 ] - [ 0.0001541800000000, 0.0003051300000000, 0.0003878900000000 ] - [ -0.0000206300000000, 0.0003916800000000, -0.0007043900000000 ] - [ -0.0002982400000000, -0.0002042400000000, -0.0000077600000000 ] - [ -0.0001345600000000, -0.0000565100000000, 0.0002933600000000 ] - [ -0.0000555400000000, -0.0001365200000000, 0.0001914400000000 ] - [ -0.0000270600000000, -0.0003147400000000, 0.0001615800000000 ] - [ 0.0000422700000000, -0.0001061200000000, -0.0000690900000000 ] - [ -0.0000903000000000, 0.0012015500000000, -0.0001339800000000 ] - [ -0.0000996600000000, -0.0001163400000000, -0.0002413100000000 ] - [ 0.0066619500000000, -0.0061136500000000, -0.0037765700000000 ] - [ -0.0001869700000000, -0.0002016500000000, 0.0000986700000000 ] - [ -0.0001385400000000, -0.0001591500000000, 0.0004230300000000 ] - [ 0.0000135200000000, -0.0001455100000000, 0.0002529300000000 ] - [ 0.0015855500000000, 0.0005727300000000, -0.0007441000000000 ] - [ -0.0002263100000000, 0.0000378400000000, 0.0000026100000000 ] - [ -0.0001338500000000, -0.0000527800000000, 0.0000926300000000 ] - [ 0.0000929200000000, -0.0001777200000000, 0.0003411800000000 ] - [ -0.0000978900000000, -0.0001234000000000, -0.0000353900000000 ] - [ 0.0002203800000000, -0.0002462700000000, 0.0000067000000000 ] - [ 0.0001967100000000, 0.0001082800000000, -0.0000378300000000 ] - [ -0.0000618000000000, 0.0000955000000000, 0.0000555600000000 ] - [ 0.0003221000000000, -0.0000671200000000, 0.0000778300000000 ] - [ 0.0006388200000000, -0.0000138700000000, -0.0000051600000000 ] - [ -0.0006639400000000, -0.0013530400000000, -0.0027383200000000 ] - [ 0.0002585700000000, -0.0002056500000000, -0.0000076300000000 ] - [ -0.0002369000000000, -0.0000148700000000, -0.0004538900000000 ] - [ -0.0005659800000000, -0.0000322700000000, 0.0000304000000000 ] - [ -0.0005523300000000, 0.0000089300000000, 0.0002804400000000 ] - [ -0.0004442000000000, 0.0000228800000000, 0.0001800200000000 ] - [ -0.0003562700000000, 0.0002909500000000, 0.0002655600000000 ] - [ -0.0002135100000000, 0.0001813900000000, 0.0000622500000000 ] - [ -0.0005237100000000, -0.0001627100000000, 0.0005340900000000 ] - [ -0.0002612100000000, 0.0001058300000000, 0.0000271400000000 ] - [ 0.0056940900000000, 0.0013321600000000, -0.0059688400000000 ] - [ 0.0002117900000000, 0.0000361300000000, -0.0003309100000000 ] - [ 0.0001685700000000, 0.0001968300000000, 0.0002529600000000 ] - [ 0.0002522700000000, 0.0000799300000000, -0.0000693700000000 ] - [ -0.0004797300000000, -0.0002493100000000, 0.0002562500000000 ] - [ -0.0001215400000000, -0.0002449700000000, 0.0001114400000000 ] - [ -0.0000062600000000, -0.0000413400000000, 0.0002000200000000 ] - [ -0.0004429200000000, -0.0001986900000000, 0.0001723800000000 ] - [ 0.0018582700000000, -0.0011334100000000, -0.0041778300000000 ] - [ 0.0000845700000000, -0.0001850500000000, -0.0001906000000000 ] - [ -0.0002596200000000, -0.0002490300000000, 0.0002452600000000 ] - [ 0.0006361500000000, -0.0002792900000000, 0.0000483700000000 ] - [ 0.0004996900000000, 0.0002067600000000, 0.0004229500000000 ] - [ 0.0002602700000000, 0.0002231900000000, 0.0003342200000000 ] - [ 0.0002560100000000, 0.0001464600000000, 0.0000419900000000 ] - [ -0.0002035000000000, 0.0002106800000000, -0.0003208100000000 ] - [ -0.0007764300000000, 0.0001660100000000, -0.0006434700000000 ] - [ -0.0017973000000000, 0.0008005600000000, -0.0007502400000000 ] - [ -0.0003284300000000, 0.0001526200000000, -0.0002395800000000 ] - [ -0.0003110200000000, 0.0000914000000000, -0.0001008900000000 ] - [ -0.0006411600000000, 0.0015786600000000, -0.0026871100000000 ] - [ 0.0001403200000000, 0.0002381600000000, -0.0000243900000000 ] - [ 0.0009800400000000, -0.0001657300000000, -0.0009522300000000 ] - [ -0.0004184600000000, -0.0002612600000000, -0.0000511200000000 ] - [ 0.0004404700000000, -0.0001434200000000, -0.0001184500000000 ] - [ -0.0000201400000000, 0.0000515800000000, 0.0001527900000000 ] - [ -0.0000390600000000, 0.0001518900000000, -0.0004764400000000 ] - [ 0.0000404000000000, 0.0000580000000000, -0.0001288100000000 ] - [ 0.0003088500000000, -0.0000204000000000, -0.0008617700000000 ] - [ -0.0006589000000000, 0.0000351000000000, -0.0002765500000000 ] - [ -0.0011066500000000, -0.0014587200000000, -0.0023899000000000 ] - [ -0.0002415800000000, -0.0001048400000000, -0.0000067700000000 ] - [ -0.0004541700000000, -0.0016262000000000, 0.0003819600000000 ] - [ 0.0005114400000000, -0.0002053300000000, 0.0001272400000000 ] - [ 0.0004935900000000, -0.0001530500000000, -0.0003732200000000 ] - [ 0.0002004900000000, -0.0000724300000000, -0.0001177800000000 ] - [ -0.0212750000000000, 0.0054767400000000, 0.0338171600000000 ] - [ 0.0002942600000000, 0.0001890400000000, 0.0005219100000000 ] - [ 0.0001515700000000, 0.0003504700000000, 0.0000386800000000 ] - [ -0.0000740700000000, 0.0002708600000000, 0.0000916000000000 ] - [ 0.0000513700000000, -0.0000156500000000, -0.0004727000000000 ] - [ -0.0001360100000000, 0.0001034000000000, -0.0004446700000000 ] - [ -0.0007248900000000, 0.0007466800000000, -0.0000223800000000 ] - [ 0.0000680500000000, 0.0002035300000000, -0.0003786100000000 ] - [ 0.0018012100000000, -0.0002875500000000, 0.0010955800000000 ] - [ 0.0018687800000000, 0.0004681400000000, 0.0012964800000000 ] - [ -0.0000303800000000, 0.0000812800000000, -0.0005730400000000 ] - [ -0.0001079400000000, 0.0000629000000000, -0.0004990400000000 ] - [ 0.0000156000000000, -0.0000347800000000, 0.0001311000000000 ] - [ 0.0001669300000000, -0.0000859100000000, 0.0002683200000000 ] - [ 0.0004726000000000, -0.0003358900000000, 0.0003409400000000 ] - [ 0.0001378600000000, -0.0001323600000000, 0.0005610500000000 ]- atom: 137 displacement: [ 0.0099999730884809, 0.0000000000000000, -0.0000231997770880 ] forces: - [ -0.0020507600000000, -0.0006420600000000, -0.0009588100000000 ] - [ -0.0000335300000000, 0.0000434600000000, 0.0001714100000000 ] - [ 0.0009130500000000, 0.0026116900000000, -0.0012176500000000 ] - [ -0.0001593100000000, 0.0000532900000000, 0.0001810400000000 ] - [ -0.0023256800000000, 0.0026826900000000, -0.0035718500000000 ] - [ 0.0005353800000000, -0.0000119400000000, -0.0000212200000000 ] - [ 0.0000310400000000, -0.0000290900000000, -0.0003182300000000 ] - [ 0.0001065300000000, 0.0000182800000000, -0.0001256100000000 ] - [ -0.0000017300000000, 0.0001021100000000, 0.0002593700000000 ] - [ -0.0000950800000000, 0.0000153000000000, 0.0000759700000000 ] - [ 0.0004265700000000, -0.0001628000000000, 0.0002028700000000 ] - [ -0.0018349800000000, 0.0059127400000000, -0.0000199900000000 ] - [ 0.0010110000000000, -0.0002006400000000, 0.0004912600000000 ] - [ 0.0009096800000000, 0.0008584800000000, -0.0002847800000000 ] - [ 0.0005061600000000, -0.0001349700000000, 0.0003145700000000 ] - [ 0.0001041300000000, -0.0001224200000000, -0.0000738000000000 ] - [ -0.0000148700000000, -0.0028757900000000, -0.0015826800000000 ] - [ 0.0010210600000000, -0.0002073300000000, 0.0001545700000000 ] - [ 0.0003610400000000, -0.0002773800000000, -0.0001594000000000 ] - [ 0.0002538400000000, -0.0001310800000000, 0.0002444100000000 ] - [ -0.0007911500000000, -0.0004031000000000, 0.0004100200000000 ] - [ 0.0003165000000000, -0.0003681100000000, -0.0005568600000000 ] - [ 0.0007959000000000, -0.0001264700000000, 0.0000339900000000 ] - [ -0.0006776200000000, -0.0007150300000000, 0.0001985300000000 ] - [ 0.0004734600000000, -0.0002657600000000, 0.0002967400000000 ] - [ 0.0018692200000000, -0.0008804500000000, -0.0029030100000000 ] - [ 0.0005634900000000, -0.0002091300000000, 0.0003673000000000 ] - [ -0.0005397500000000, -0.0001718400000000, -0.0003261100000000 ] - [ -0.0010226700000000, -0.0000070800000000, -0.0002196300000000 ] - [ 0.0001959300000000, -0.0000987700000000, -0.0002741300000000 ] - [ -0.0000090800000000, -0.0000643900000000, -0.0003998800000000 ] - [ -0.0001828200000000, -0.0000835500000000, -0.0003865300000000 ] - [ -0.0004000700000000, 0.0004855500000000, -0.0000553800000000 ] - [ -0.0005520400000000, 0.0000412900000000, 0.0000443300000000 ] - [ -0.0001366300000000, 0.0001865100000000, -0.0000744400000000 ] - [ -0.0000071100000000, 0.0001653100000000, -0.0001175700000000 ] - [ 0.0008188800000000, 0.0001962600000000, 0.0001029000000000 ] - [ -0.0000012600000000, 0.0001536500000000, 0.0000458400000000 ] - [ -0.0009233900000000, 0.0000980000000000, 0.0006913400000000 ] - [ 0.0001867200000000, 0.0003223700000000, -0.0000087300000000 ] - [ 0.0010737000000000, 0.0003252900000000, 0.0001541800000000 ] - [ -0.0004458300000000, 0.0002848100000000, 0.0001525400000000 ] - [ -0.0002858800000000, 0.0001447000000000, 0.0001268000000000 ] - [ -0.0000641100000000, 0.0001927000000000, -0.0002749100000000 ] - [ -0.0007083000000000, 0.0004881900000000, 0.0000530000000000 ] - [ -0.0003567600000000, -0.0000574000000000, 0.0001444600000000 ] - [ -0.0002297400000000, 0.0002212400000000, 0.0000348700000000 ] - [ 0.0001188500000000, 0.0001902700000000, 0.0000738100000000 ] - [ 0.0004410500000000, 0.0005333500000000, 0.0001686300000000 ] - [ -0.0001673700000000, 0.0001587700000000, -0.0001931100000000 ] - [ 0.0000922500000000, -0.0001366400000000, 0.0002658500000000 ] - [ -0.0000147800000000, 0.0001671600000000, -0.0000792700000000 ] - [ 0.0002068200000000, -0.0002302900000000, -0.0001996100000000 ] - [ 0.0000147600000000, -0.0001519600000000, 0.0000891200000000 ] - [ -0.0003722900000000, -0.0000142500000000, -0.0000141100000000 ] - [ 0.0074623800000000, -0.0013839500000000, 0.0063579100000000 ] - [ -0.0004653200000000, 0.0001597900000000, -0.0001786100000000 ] - [ 0.0019208600000000, 0.0020447700000000, 0.0000939200000000 ] - [ -0.0002757500000000, 0.0001899500000000, -0.0001407500000000 ] - [ 0.0001484000000000, 0.0002802700000000, 0.0002523100000000 ] - [ 0.0005436400000000, -0.0007346000000000, 0.0007273000000000 ] - [ -0.0003916600000000, -0.0002410500000000, -0.0000425300000000 ] - [ -0.0001054800000000, -0.0002666300000000, 0.0001641700000000 ] - [ -0.0001006400000000, -0.0001351900000000, 0.0000663000000000 ] - [ 0.0000738200000000, -0.0000783400000000, -0.0004103000000000 ] - [ -0.0000999500000000, -0.0001511700000000, 0.0000247100000000 ] - [ -0.0002913400000000, -0.0000535600000000, -0.0001314100000000 ] - [ 0.0008954900000000, -0.0010865300000000, 0.0000957100000000 ] - [ 0.0106499800000000, 0.0069596900000000, 0.0050766800000000 ] - [ -0.0003648500000000, 0.0000349300000000, 0.0001273100000000 ] - [ 0.0000443900000000, -0.0001199000000000, 0.0003046700000000 ] - [ -0.0000113500000000, -0.0001280100000000, 0.0001134100000000 ] - [ -0.0003541300000000, -0.0000655400000000, -0.0001533100000000 ] - [ 0.0071806900000000, -0.0065108400000000, -0.0013608200000000 ] - [ -0.0001581400000000, -0.0000695300000000, -0.0000151600000000 ] - [ 0.0002397500000000, -0.0000867000000000, 0.0004126400000000 ] - [ 0.0002601300000000, -0.0002188100000000, 0.0002791000000000 ] - [ -0.0001855800000000, 0.0000724700000000, -0.0000705100000000 ] - [ 0.0002645100000000, -0.0001104800000000, 0.0000970400000000 ] - [ -0.0000878200000000, -0.0000976900000000, -0.0000574100000000 ] - [ 0.0007822700000000, 0.0000296500000000, 0.0004005300000000 ] - [ 0.0003683600000000, -0.0001130300000000, -0.0001540700000000 ] - [ 0.0013176900000000, -0.0021740300000000, 0.0001755500000000 ] - [ 0.0001008100000000, 0.0000416600000000, -0.0002689200000000 ] - [ -0.0007302100000000, -0.0000415400000000, 0.0000841100000000 ] - [ -0.0004105000000000, -0.0003181000000000, 0.0000477000000000 ] - [ -0.0005044500000000, -0.0000444900000000, 0.0000158800000000 ] - [ -0.0004267300000000, -0.0000638300000000, 0.0001458400000000 ] - [ -0.0001048700000000, 0.0001533600000000, -0.0002337300000000 ] - [ -0.0003691300000000, 0.0000731100000000, 0.0003069800000000 ] - [ -0.0004572900000000, -0.0001001300000000, 0.0002781400000000 ] - [ -0.0000714400000000, 0.0001127900000000, 0.0000995400000000 ] - [ 0.0043492100000000, -0.0000800600000000, 0.0029992200000000 ] - [ -0.0001684100000000, -0.0000108400000000, -0.0000887700000000 ] - [ 0.0001475400000000, 0.0001440400000000, 0.0000472000000000 ] - [ 0.0002727400000000, 0.0000158600000000, -0.0003499700000000 ] - [ 0.0005467100000000, -0.0001129500000000, 0.0000188500000000 ] - [ -0.0007237000000000, -0.0002680300000000, 0.0001147900000000 ] - [ -0.0002703000000000, -0.0001197000000000, 0.0001878400000000 ] - [ -0.0004792600000000, -0.0002526800000000, 0.0000902700000000 ] - [ 0.0000587200000000, -0.0003321100000000, -0.0002948200000000 ] - [ -0.0006537900000000, 0.0000230700000000, 0.0003146100000000 ] - [ -0.0001632400000000, -0.0001278800000000, -0.0000867700000000 ] - [ 0.0008685200000000, -0.0002051000000000, -0.0001024500000000 ] - [ 0.0004250300000000, 0.0001931800000000, 0.0002720900000000 ] - [ 0.0003365100000000, 0.0001274700000000, 0.0003507300000000 ] - [ -0.0001870200000000, 0.0001591800000000, 0.0001745600000000 ] - [ 0.0031973400000000, -0.0001252100000000, 0.0004960900000000 ] - [ 0.0023364700000000, -0.0013941900000000, -0.0006467100000000 ] - [ -0.0009793700000000, 0.0001829300000000, -0.0003358300000000 ] - [ -0.0003959800000000, 0.0001472400000000, -0.0001810400000000 ] - [ -0.0004431800000000, 0.0001914200000000, -0.0003810900000000 ] - [ 0.0005767300000000, 0.0000211600000000, 0.0007880200000000 ] - [ 0.0007582300000000, 0.0004843000000000, -0.0007774300000000 ] - [ 0.0003323500000000, 0.0001284600000000, -0.0000509400000000 ] - [ -0.0016259400000000, 0.0001632100000000, 0.0003633500000000 ] - [ -0.0021831000000000, -0.0000992700000000, 0.0002101500000000 ] - [ 0.0003580000000000, 0.0001121800000000, 0.0000127800000000 ] - [ -0.0000007200000000, 0.0002587100000000, -0.0002576200000000 ] - [ 0.0000105100000000, 0.0001269200000000, 0.0000952100000000 ] - [ -0.0022092900000000, 0.0001090600000000, 0.0001148900000000 ] - [ -0.0000623000000000, -0.0001227200000000, -0.0000261500000000 ] - [ 0.0001293300000000, -0.0007789800000000, -0.0005002100000000 ] - [ 0.0003856200000000, 0.0001470400000000, 0.0006676000000000 ] - [ 0.0010822000000000, 0.0002092000000000, 0.0004002300000000 ] - [ 0.0011493300000000, -0.0007265800000000, -0.0001137000000000 ] - [ 0.0005579100000000, -0.0001120300000000, -0.0000610300000000 ] - [ 0.0001162000000000, -0.0000606100000000, -0.0000041300000000 ] - [ 0.0047680400000000, 0.0002497000000000, 0.0006345400000000 ] - [ 0.0043123300000000, 0.0001435300000000, 0.0002869200000000 ] - [ 0.0000808100000000, 0.0002266500000000, 0.0002719700000000 ] - [ -0.0000221200000000, 0.0001816600000000, 0.0003069200000000 ] - [ -0.0003346000000000, 0.0001709400000000, -0.0003863800000000 ] - [ 0.0000426700000000, 0.0001504200000000, -0.0003631300000000 ] - [ 0.0000893300000000, 0.0002952100000000, -0.0006823000000000 ] - [ 0.0001801100000000, 0.0002928800000000, -0.0002599600000000 ] - [ -0.0422036000000000, -0.0034597700000000, -0.0068484900000000 ] - [ 0.0003454800000000, 0.0000377900000000, -0.0002506300000000 ] - [ -0.0000242000000000, -0.0001204000000000, -0.0005863000000000 ] - [ -0.0001058300000000, 0.0000832500000000, -0.0001438800000000 ] - [ 0.0001556700000000, -0.0000872300000000, 0.0004822800000000 ] - [ 0.0001982700000000, 0.0001318100000000, 0.0000634700000000 ] - [ 0.0004782200000000, -0.0000050900000000, 0.0002771300000000 ] - [ -0.0006391100000000, 0.0000604300000000, 0.0000756900000000 ]- atom: 137 displacement: [ -0.0099999730884809, 0.0000000000000000, 0.0000231997770880 ] forces: - [ 0.0012538900000000, 0.0004482700000000, 0.0006562600000000 ] - [ -0.0007543800000000, -0.0002328300000000, -0.0004701700000000 ] - [ -0.0017151600000000, -0.0028010700000000, 0.0009262100000000 ] - [ -0.0006292900000000, -0.0002429600000000, -0.0004761500000000 ] - [ 0.0025129400000000, -0.0026760900000000, 0.0032180700000000 ] - [ -0.0003743500000000, 0.0000246600000000, -0.0003490300000000 ] - [ 0.0001296400000000, 0.0000417700000000, -0.0000523800000000 ] - [ 0.0000569300000000, -0.0000052400000000, -0.0002455100000000 ] - [ -0.0001600500000000, -0.0000905100000000, 0.0001116900000000 ] - [ -0.0000653800000000, -0.0000031700000000, 0.0002942400000000 ] - [ -0.0005881800000000, 0.0001748900000000, 0.0001674500000000 ] - [ 0.0016410700000000, -0.0058688000000000, 0.0003808200000000 ] - [ -0.0002237400000000, 0.0000134000000000, -0.0001985100000000 ] - [ -0.0001200500000000, -0.0010449600000000, 0.0005826300000000 ] - [ 0.0002836000000000, -0.0000546800000000, -0.0000157700000000 ] - [ 0.0006820900000000, -0.0000668800000000, 0.0003725000000000 ] - [ 0.0006733500000000, 0.0024370100000000, 0.0017291700000000 ] - [ -0.0003687300000000, -0.0002258800000000, -0.0000139800000000 ] - [ 0.0002927600000000, -0.0001531200000000, 0.0003003200000000 ] - [ 0.0003960900000000, -0.0003031400000000, -0.0001037200000000 ] - [ 0.0001458700000000, -0.0000285800000000, -0.0005496700000000 ] - [ -0.0009690000000000, -0.0000696100000000, 0.0004154300000000 ] - [ -0.0014520000000000, -0.0003096800000000, -0.0001745500000000 ] - [ 0.0000210500000000, 0.0002751800000000, -0.0003412800000000 ] - [ -0.0000605000000000, -0.0000373200000000, 0.0003632900000000 ] - [ -0.0014483300000000, 0.0005725000000000, 0.0035533800000000 ] - [ -0.0001522300000000, -0.0000930500000000, 0.0002932100000000 ] - [ 0.0009535000000000, -0.0001294600000000, 0.0009869900000000 ] - [ 0.0006121800000000, -0.0002966500000000, -0.0004398400000000 ] - [ -0.0006065000000000, -0.0002040300000000, -0.0003856700000000 ] - [ -0.0004048200000000, -0.0002400400000000, -0.0002614100000000 ] - [ -0.0002287600000000, -0.0002203700000000, -0.0002756700000000 ] - [ 0.0001595100000000, -0.0001010300000000, -0.0001039000000000 ] - [ 0.0003203300000000, 0.0003339700000000, -0.0002017900000000 ] - [ -0.0000945700000000, 0.0001905900000000, -0.0000835300000000 ] - [ -0.0002233300000000, 0.0002115900000000, -0.0000406600000000 ] - [ -0.0005924100000000, 0.0001756800000000, 0.0000508000000000 ] - [ 0.0002322100000000, 0.0002230600000000, 0.0001114500000000 ] - [ 0.0011563500000000, 0.0002761700000000, -0.0005347800000000 ] - [ 0.0000474100000000, 0.0000536100000000, 0.0001677600000000 ] - [ -0.0008793400000000, 0.0001235300000000, -0.0001297300000000 ] - [ 0.0006352900000000, 0.0001642500000000, -0.0001276900000000 ] - [ 0.0004795400000000, 0.0003033300000000, -0.0001037400000000 ] - [ 0.0002549300000000, 0.0002559600000000, 0.0002965400000000 ] - [ 0.0005194300000000, -0.0000407300000000, -0.0000762800000000 ] - [ 0.0001643600000000, 0.0005035600000000, -0.0001689400000000 ] - [ 0.0000378600000000, 0.0002270900000000, -0.0000591800000000 ] - [ -0.0003096600000000, 0.0002581400000000, -0.0000983700000000 ] - [ -0.0002724500000000, -0.0001955300000000, -0.0001943000000000 ] - [ 0.0003356700000000, 0.0001788600000000, 0.0001658600000000 ] - [ 0.0000774100000000, 0.0004762300000000, -0.0002923200000000 ] - [ 0.0001845800000000, 0.0001701600000000, 0.0000527800000000 ] - [ 0.0000383400000000, -0.0001651100000000, 0.0000280200000000 ] - [ 0.0002295800000000, -0.0002440300000000, -0.0002615000000000 ] - [ 0.0006181600000000, -0.0003826100000000, -0.0001583300000000 ] - [ -0.0070176200000000, 0.0010341300000000, -0.0063088100000000 ] - [ 0.0002957000000000, 0.0001773400000000, 0.0002068200000000 ] - [ -0.0019987000000000, -0.0016566200000000, -0.0001504800000000 ] - [ 0.0001062000000000, 0.0001468900000000, 0.0001677800000000 ] - [ -0.0003187000000000, 0.0000571600000000, -0.0002265600000000 ] - [ -0.0007880800000000, 0.0003446400000000, -0.0005603300000000 ] - [ 0.0001475800000000, -0.0001543400000000, 0.0002144100000000 ] - [ -0.0001388000000000, -0.0001289500000000, 0.0000072300000000 ] - [ -0.0001446300000000, -0.0002604900000000, 0.0001050100000000 ] - [ -0.0000639900000000, -0.0001412200000000, 0.0001149000000000 ] - [ 0.0001094800000000, -0.0000677500000000, -0.0003196300000000 ] - [ 0.0003010800000000, -0.0001660500000000, -0.0001632400000000 ] - [ -0.0008824700000000, 0.0008575400000000, -0.0003912600000000 ] - [ -0.0109303900000000, -0.0074436000000000, -0.0049052000000000 ] - [ 0.0003538300000000, -0.0002525500000000, 0.0001676600000000 ] - [ -0.0000546100000000, -0.0000990200000000, -0.0000097600000000 ] - [ 0.0000005500000000, -0.0000910700000000, 0.0001815400000000 ] - [ 0.0002880100000000, 0.0000220800000000, 0.0001289700000000 ] - [ -0.0070651800000000, 0.0062527800000000, 0.0012325500000000 ] - [ 0.0000916100000000, 0.0000242600000000, -0.0000107500000000 ] - [ -0.0003074900000000, 0.0000417000000000, -0.0004394200000000 ] - [ -0.0001932100000000, 0.0001731400000000, -0.0002522400000000 ] - [ 0.0002529000000000, -0.0001174900000000, 0.0000968000000000 ] - [ -0.0001936700000000, 0.0000651600000000, -0.0000726700000000 ] - [ 0.0001559500000000, 0.0000530700000000, 0.0000837600000000 ] - [ 0.0001691100000000, -0.0001551400000000, -0.0005339600000000 ] - [ 0.0005821200000000, -0.0000135400000000, 0.0000181300000000 ] - [ -0.0004323200000000, 0.0020473800000000, -0.0002448600000000 ] - [ 0.0008493300000000, -0.0001680800000000, 0.0001312800000000 ] - [ -0.0002210800000000, -0.0000848900000000, 0.0000536900000000 ] - [ -0.0005399900000000, 0.0001923400000000, 0.0000877600000000 ] - [ -0.0004459200000000, -0.0000820100000000, 0.0001197000000000 ] - [ -0.0005239500000000, -0.0000621200000000, -0.0000093100000000 ] - [ -0.0003399300000000, 0.0000074300000000, 0.0005202400000000 ] - [ -0.0000761000000000, 0.0000883900000000, -0.0000226000000000 ] - [ 0.0000124700000000, 0.0002612300000000, 0.0000065000000000 ] - [ -0.0003721100000000, 0.0000483800000000, 0.0001870300000000 ] - [ -0.0040097100000000, 0.0003252400000000, -0.0033988800000000 ] - [ 0.0006128400000000, 0.0001710400000000, -0.0001939400000000 ] - [ 0.0002978100000000, 0.0000164800000000, -0.0003311000000000 ] - [ 0.0001724100000000, 0.0001461300000000, 0.0000666500000000 ] - [ -0.0010736700000000, -0.0002809800000000, 0.0002486000000000 ] - [ 0.0001965000000000, -0.0001252200000000, 0.0001523700000000 ] - [ -0.0002571300000000, -0.0002735000000000, 0.0000810200000000 ] - [ -0.0000483600000000, -0.0001407500000000, 0.0001765300000000 ] - [ 0.0004651100000000, -0.0000597000000000, 0.0000287800000000 ] - [ 0.0011799400000000, -0.0004141300000000, -0.0005806900000000 ] - [ 0.0006895000000000, -0.0002655200000000, -0.0001808900000000 ] - [ -0.0003442800000000, -0.0001874100000000, -0.0001646100000000 ] - [ 0.0003817200000000, 0.0001380200000000, 0.0003056300000000 ] - [ 0.0004753100000000, 0.0002048900000000, 0.0002269100000000 ] - [ 0.0009971500000000, 0.0001729300000000, 0.0004037200000000 ] - [ -0.0023907600000000, 0.0004448100000000, 0.0000835700000000 ] - [ -0.0031407200000000, 0.0017441400000000, 0.0000763100000000 ] - [ 0.0001694400000000, 0.0001489200000000, -0.0002423200000000 ] - [ -0.0004151200000000, 0.0001847700000000, -0.0003974500000000 ] - [ -0.0003670000000000, 0.0001405100000000, -0.0001978400000000 ] - [ -0.0005314300000000, 0.0002109100000000, -0.0007626900000000 ] - [ -0.0007125000000000, -0.0002526800000000, 0.0008008800000000 ] - [ -0.0002885900000000, 0.0001031000000000, 0.0000747200000000 ] - [ 0.0016691100000000, 0.0000673800000000, -0.0003485500000000 ] - [ 0.0021400000000000, 0.0003391900000000, -0.0002291600000000 ] - [ -0.0004019800000000, 0.0001186900000000, -0.0000362100000000 ] - [ -0.0000437000000000, -0.0000278400000000, 0.0002344400000000 ] - [ -0.0000552700000000, 0.0001056000000000, -0.0001181400000000 ] - [ 0.0014498200000000, -0.0003395800000000, -0.0001405500000000 ] - [ -0.0006948300000000, -0.0001035700000000, -0.0000051400000000 ] - [ -0.0008883900000000, 0.0005537700000000, 0.0004703700000000 ] - [ -0.0011440100000000, -0.0003743000000000, -0.0007000200000000 ] - [ -0.0003256300000000, -0.0004376600000000, -0.0003683200000000 ] - [ -0.0003910000000000, 0.0005000100000000, 0.0001437700000000 ] - [ 0.0001988600000000, -0.0001147800000000, 0.0000922900000000 ] - [ 0.0006415000000000, -0.0001665000000000, 0.0000347500000000 ] - [ -0.0046502100000000, 0.0001427000000000, 0.0001205500000000 ] - [ -0.0040681200000000, 0.0002532200000000, 0.0004716100000000 ] - [ 0.0001018000000000, 0.0001679500000000, 0.0004874100000000 ] - [ 0.0002062300000000, 0.0002129200000000, 0.0004534300000000 ] - [ 0.0001506700000000, 0.0002236100000000, -0.0003735000000000 ] - [ -0.0002260700000000, 0.0002442500000000, -0.0003965100000000 ] - [ -0.0002734300000000, 0.0000985300000000, -0.0000763500000000 ] - [ -0.0003630500000000, 0.0001025100000000, -0.0005008800000000 ] - [ 0.0419606300000000, 0.0037724200000000, 0.0064324000000000 ] - [ -0.0005851900000000, 0.0000020600000000, -0.0002996300000000 ] - [ -0.0002154200000000, 0.0001602600000000, 0.0000362300000000 ] - [ -0.0001340800000000, -0.0000439900000000, -0.0004065900000000 ] - [ 0.0000833400000000, 0.0001269600000000, 0.0000691600000000 ] - [ 0.0000415200000000, -0.0000919300000000, 0.0004868100000000 ] - [ -0.0002383700000000, 0.0000445600000000, 0.0002730800000000 ] - [ 0.0008770800000000, -0.0000248400000000, 0.0004707400000000 ]- atom: 137 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010064200000000, 0.0004899500000000, 0.0004673200000000 ] - [ -0.0004405500000000, -0.0000948600000000, -0.0000867700000000 ] - [ 0.0001785400000000, -0.0011723100000000, -0.0013442700000000 ] - [ -0.0006629000000000, -0.0003019600000000, 0.0000451200000000 ] - [ 0.0042048100000000, 0.0032906400000000, -0.0022954700000000 ] - [ 0.0001188100000000, 0.0000714700000000, -0.0001865700000000 ] - [ -0.0000136100000000, 0.0000330100000000, -0.0001956600000000 ] - [ 0.0003459000000000, 0.0000544100000000, -0.0002485600000000 ] - [ -0.0000064200000000, -0.0001358600000000, 0.0001393400000000 ] - [ -0.0001417700000000, -0.0000364300000000, 0.0001528500000000 ] - [ -0.0000878300000000, -0.0000717000000000, 0.0002823200000000 ] - [ 0.0063838400000000, 0.0024906700000000, 0.0021444100000000 ] - [ -0.0002448500000000, -0.0000052500000000, 0.0003588400000000 ] - [ 0.0007853200000000, 0.0009422900000000, -0.0006765000000000 ] - [ 0.0004374900000000, -0.0001615200000000, 0.0002855600000000 ] - [ 0.0003454400000000, -0.0002398800000000, 0.0004124600000000 ] - [ -0.0022310300000000, 0.0028866900000000, -0.0008093800000000 ] - [ 0.0004892000000000, -0.0004544500000000, 0.0001030900000000 ] - [ 0.0002775300000000, -0.0003341300000000, 0.0000671600000000 ] - [ 0.0002886100000000, -0.0001766400000000, 0.0001166200000000 ] - [ 0.0002789400000000, 0.0001178300000000, 0.0000730800000000 ] - [ -0.0004231100000000, -0.0000292300000000, -0.0000772700000000 ] - [ -0.0000060100000000, -0.0000691200000000, -0.0001236300000000 ] - [ -0.0021963500000000, -0.0011525100000000, -0.0015165700000000 ] - [ 0.0003796800000000, -0.0001875200000000, 0.0001748800000000 ] - [ -0.0003674200000000, -0.0039596200000000, 0.0021444800000000 ] - [ 0.0003234900000000, -0.0001709600000000, 0.0002954000000000 ] - [ 0.0002606200000000, -0.0001617500000000, 0.0002683500000000 ] - [ 0.0001118100000000, 0.0001163900000000, -0.0005013300000000 ] - [ -0.0002415000000000, -0.0000883500000000, -0.0003923400000000 ] - [ -0.0001519500000000, 0.0001916400000000, -0.0002418200000000 ] - [ -0.0000648800000000, -0.0000738700000000, -0.0005883200000000 ] - [ 0.0010591300000000, -0.0004350700000000, 0.0004752200000000 ] - [ -0.0005168300000000, -0.0000701100000000, -0.0000091900000000 ] - [ -0.0001336800000000, 0.0001944700000000, -0.0001323000000000 ] - [ -0.0000075700000000, 0.0001635400000000, -0.0001993000000000 ] - [ 0.0001700200000000, -0.0003887400000000, -0.0004012000000000 ] - [ 0.0001268500000000, 0.0001942300000000, 0.0000225100000000 ] - [ -0.0002520500000000, 0.0003625400000000, 0.0002305100000000 ] - [ 0.0008191300000000, 0.0006238600000000, 0.0004771900000000 ] - [ 0.0002583500000000, 0.0001274000000000, -0.0001666600000000 ] - [ 0.0001835300000000, 0.0001800500000000, -0.0000326300000000 ] - [ -0.0001700700000000, 0.0004446800000000, 0.0005238500000000 ] - [ 0.0001057600000000, 0.0005048000000000, 0.0000337100000000 ] - [ 0.0002361700000000, -0.0000906000000000, -0.0002098400000000 ] - [ -0.0002315400000000, 0.0000947700000000, 0.0005163100000000 ] - [ -0.0001198400000000, 0.0002626200000000, -0.0000448600000000 ] - [ -0.0000974000000000, 0.0002371700000000, -0.0000909800000000 ] - [ 0.0001030000000000, -0.0003822300000000, -0.0001553600000000 ] - [ -0.0000495200000000, -0.0000870400000000, 0.0000341600000000 ] - [ 0.0000518400000000, -0.0000833400000000, 0.0001167800000000 ] - [ 0.0000597600000000, 0.0000649000000000, -0.0000393700000000 ] - [ 0.0000792800000000, -0.0000067900000000, 0.0000422900000000 ] - [ 0.0001099800000000, -0.0001006600000000, -0.0000729600000000 ] - [ 0.0001066200000000, -0.0000961800000000, -0.0001517800000000 ] - [ 0.0008693800000000, 0.0002616700000000, 0.0007350300000000 ] - [ -0.0000139600000000, 0.0003402200000000, -0.0000230500000000 ] - [ 0.0009625900000000, 0.0033619400000000, -0.0007412000000000 ] - [ -0.0002198200000000, 0.0004162300000000, 0.0000734300000000 ] - [ 0.0000192600000000, 0.0003530000000000, 0.0000014000000000 ] - [ -0.0009160100000000, -0.0011035700000000, 0.0003806600000000 ] - [ -0.0001028800000000, -0.0002949200000000, 0.0001189600000000 ] - [ -0.0000802100000000, -0.0003190100000000, 0.0000323200000000 ] - [ -0.0002135200000000, -0.0003537000000000, 0.0000889100000000 ] - [ -0.0000140300000000, -0.0002749300000000, 0.0000308200000000 ] - [ -0.0000003100000000, -0.0000885800000000, -0.0001164200000000 ] - [ 0.0000257600000000, -0.0001201900000000, -0.0002408000000000 ] - [ -0.0005005300000000, -0.0003126400000000, -0.0001592900000000 ] - [ 0.0081909200000000, 0.0066177700000000, 0.0042085900000000 ] - [ 0.0000011400000000, -0.0000512600000000, 0.0001256600000000 ] - [ 0.0000395600000000, -0.0001410700000000, 0.0000539900000000 ] - [ -0.0000807300000000, -0.0000512600000000, 0.0001278200000000 ] - [ -0.0001472900000000, 0.0000418600000000, -0.0000016200000000 ] - [ -0.0058066000000000, 0.0069281500000000, 0.0014634800000000 ] - [ -0.0000807800000000, -0.0000768100000000, 0.0000599700000000 ] - [ -0.0000376300000000, -0.0000204400000000, 0.0000193400000000 ] - [ -0.0000303800000000, -0.0002343900000000, 0.0000851200000000 ] - [ 0.0001039300000000, -0.0000539300000000, 0.0001163300000000 ] - [ -0.0005541600000000, -0.0002397700000000, 0.0002355800000000 ] - [ -0.0000515200000000, -0.0000698000000000, 0.0000118800000000 ] - [ 0.0004918500000000, 0.0002730100000000, -0.0004785100000000 ] - [ 0.0004769700000000, 0.0000043800000000, -0.0000524800000000 ] - [ -0.0001176400000000, 0.0016420900000000, 0.0005972500000000 ] - [ 0.0003405900000000, 0.0000703700000000, -0.0001200300000000 ] - [ -0.0005133600000000, -0.0002823000000000, 0.0000183000000000 ] - [ -0.0006008300000000, -0.0005468200000000, 0.0002123500000000 ] - [ -0.0005166400000000, -0.0001023000000000, 0.0000633500000000 ] - [ -0.0004544800000000, -0.0001467900000000, -0.0000483400000000 ] - [ -0.0003589200000000, -0.0000433000000000, -0.0001612500000000 ] - [ -0.0001796300000000, 0.0000287200000000, 0.0001180100000000 ] - [ -0.0002378800000000, -0.0000590000000000, 0.0001554000000000 ] - [ 0.0000116800000000, -0.0000681300000000, 0.0005081000000000 ] - [ -0.0008670900000000, 0.0013979400000000, -0.0015153700000000 ] - [ 0.0001823400000000, 0.0002016100000000, -0.0001739300000000 ] - [ 0.0002224800000000, 0.0001649500000000, -0.0001210900000000 ] - [ 0.0001478500000000, 0.0001168500000000, -0.0002997300000000 ] - [ -0.0004658700000000, -0.0007823100000000, 0.0001505100000000 ] - [ -0.0001751400000000, -0.0002619300000000, 0.0001434800000000 ] - [ 0.0000754600000000, -0.0002719700000000, -0.0000244100000000 ] - [ -0.0007636100000000, -0.0004844600000000, -0.0000850500000000 ] - [ 0.0000034600000000, 0.0001851500000000, -0.0002147800000000 ] - [ 0.0008426400000000, 0.0003854400000000, -0.0005415300000000 ] - [ 0.0001908400000000, -0.0001393000000000, -0.0001384300000000 ] - [ 0.0002732700000000, 0.0000257700000000, -0.0001489600000000 ] - [ 0.0000162000000000, 0.0000750300000000, 0.0002650400000000 ] - [ 0.0005500400000000, 0.0001191500000000, 0.0002921000000000 ] - [ 0.0004290400000000, 0.0001094500000000, 0.0002577300000000 ] - [ -0.0012049300000000, 0.0035409900000000, -0.0010371900000000 ] - [ -0.0040496200000000, 0.0126952800000000, 0.0037472200000000 ] - [ -0.0003871100000000, 0.0002311700000000, -0.0003655100000000 ] - [ -0.0003014100000000, 0.0002017800000000, -0.0002547300000000 ] - [ -0.0005230700000000, 0.0001982200000000, -0.0001641300000000 ] - [ -0.0004278800000000, -0.0000230000000000, -0.0005484400000000 ] - [ 0.0001611100000000, -0.0000383100000000, -0.0002166900000000 ] - [ 0.0000166200000000, -0.0000417500000000, 0.0001286000000000 ] - [ -0.0002636800000000, -0.0002907100000000, 0.0017617200000000 ] - [ -0.0001287800000000, 0.0040799100000000, 0.0021397400000000 ] - [ -0.0000748500000000, 0.0003020500000000, 0.0000774800000000 ] - [ -0.0001140100000000, 0.0002608700000000, 0.0000235100000000 ] - [ -0.0000457200000000, 0.0003430500000000, 0.0000342000000000 ] - [ -0.0000308300000000, -0.0001042600000000, -0.0017066800000000 ] - [ -0.0003737800000000, -0.0002726200000000, -0.0000378300000000 ] - [ -0.0003949700000000, -0.0002933100000000, 0.0000198400000000 ] - [ 0.0002227200000000, -0.0003093200000000, 0.0003729800000000 ] - [ 0.0012546600000000, 0.0005781400000000, 0.0004722500000000 ] - [ -0.0001504500000000, 0.0005458200000000, 0.0001461500000000 ] - [ 0.0004335100000000, 0.0000437700000000, 0.0000486400000000 ] - [ 0.0004845200000000, -0.0000014000000000, -0.0000617100000000 ] - [ -0.0001122800000000, -0.0013289300000000, 0.0006152600000000 ] - [ 0.0002437700000000, -0.0009882100000000, -0.0000448800000000 ] - [ 0.0001490800000000, 0.0000644200000000, 0.0003391500000000 ] - [ 0.0000904400000000, 0.0000744400000000, 0.0003299400000000 ] - [ -0.0000718400000000, 0.0004475800000000, -0.0004307200000000 ] - [ -0.0001104700000000, 0.0003407900000000, -0.0005074100000000 ] - [ 0.0001479400000000, 0.0006062500000000, -0.0006562300000000 ] - [ 0.0000442200000000, 0.0006445200000000, -0.0004826600000000 ] - [ -0.0036970900000000, -0.0436511400000000, -0.0079482200000000 ] - [ -0.0001015300000000, -0.0001159700000000, -0.0002624000000000 ] - [ -0.0002595000000000, -0.0000813300000000, -0.0002643100000000 ] - [ -0.0000560400000000, -0.0001872800000000, -0.0003734400000000 ] - [ 0.0002257200000000, 0.0003082000000000, 0.0001218700000000 ] - [ 0.0000070100000000, 0.0001585200000000, 0.0002497300000000 ] - [ 0.0001444100000000, 0.0001371500000000, 0.0002987200000000 ] - [ 0.0000739600000000, 0.0024773900000000, 0.0000786200000000 ]- atom: 137 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002204700000000, -0.0006843900000000, -0.0007687600000000 ] - [ -0.0003451000000000, -0.0000942900000000, -0.0002124900000000 ] - [ -0.0009646800000000, 0.0010059300000000, 0.0010474800000000 ] - [ -0.0001209100000000, 0.0001126000000000, -0.0003451600000000 ] - [ -0.0040788100000000, -0.0033034900000000, 0.0019458700000000 ] - [ 0.0000426900000000, -0.0000581700000000, -0.0001845400000000 ] - [ 0.0001753300000000, -0.0000204200000000, -0.0001750500000000 ] - [ -0.0001836600000000, -0.0000419900000000, -0.0001223800000000 ] - [ -0.0001544600000000, 0.0001472800000000, 0.0002318200000000 ] - [ -0.0000196500000000, 0.0000465900000000, 0.0002189500000000 ] - [ -0.0000716700000000, 0.0000829500000000, 0.0000871700000000 ] - [ -0.0064709800000000, -0.0024726000000000, -0.0017406900000000 ] - [ 0.0010328600000000, -0.0001804900000000, -0.0000611700000000 ] - [ 0.0000019500000000, -0.0011295400000000, 0.0009687600000000 ] - [ 0.0003485400000000, -0.0000281800000000, 0.0000152900000000 ] - [ 0.0004389500000000, 0.0000522200000000, -0.0001126100000000 ] - [ 0.0028654200000000, -0.0033238600000000, 0.0009314000000000 ] - [ 0.0001641400000000, 0.0000177400000000, 0.0000354200000000 ] - [ 0.0003771800000000, -0.0000998800000000, 0.0000727500000000 ] - [ 0.0003642600000000, -0.0002579000000000, 0.0000253400000000 ] - [ -0.0009279600000000, -0.0005567400000000, -0.0002124200000000 ] - [ -0.0002298500000000, -0.0004102500000000, -0.0000628500000000 ] - [ -0.0006464200000000, -0.0003680800000000, -0.0000166600000000 ] - [ 0.0015569100000000, 0.0007224000000000, 0.0013835200000000 ] - [ 0.0000307300000000, -0.0001164700000000, 0.0004880900000000 ] - [ 0.0007670200000000, 0.0036633000000000, -0.0014697600000000 ] - [ 0.0000882700000000, -0.0001318100000000, 0.0003659300000000 ] - [ 0.0001490200000000, -0.0001411400000000, 0.0003915600000000 ] - [ -0.0005202500000000, -0.0004206700000000, -0.0001623900000000 ] - [ -0.0001692200000000, -0.0002143400000000, -0.0002712400000000 ] - [ -0.0002587300000000, -0.0004963500000000, -0.0004190400000000 ] - [ -0.0003450700000000, -0.0002295700000000, -0.0000779800000000 ] - [ -0.0012950100000000, 0.0008225900000000, -0.0006301800000000 ] - [ 0.0002830900000000, 0.0004455000000000, -0.0001477200000000 ] - [ -0.0000984900000000, 0.0001832300000000, -0.0000258500000000 ] - [ -0.0002230700000000, 0.0002136700000000, 0.0000410400000000 ] - [ 0.0000582800000000, 0.0007664700000000, 0.0005621100000000 ] - [ 0.0001043400000000, 0.0001831900000000, 0.0001351900000000 ] - [ 0.0004818800000000, 0.0000109100000000, -0.0000715100000000 ] - [ -0.0005926600000000, -0.0002488800000000, -0.0003228100000000 ] - [ -0.0000667000000000, 0.0003214700000000, 0.0001911100000000 ] - [ 0.0000071700000000, 0.0002689300000000, 0.0000572800000000 ] - [ 0.0003616400000000, 0.0000024800000000, -0.0005021000000000 ] - [ 0.0000842300000000, -0.0000566500000000, -0.0000091000000000 ] - [ -0.0004286700000000, 0.0005396000000000, 0.0001871500000000 ] - [ 0.0000371600000000, 0.0003540300000000, -0.0005376300000000 ] - [ -0.0000731300000000, 0.0001861100000000, 0.0000204200000000 ] - [ -0.0000927100000000, 0.0002115900000000, 0.0000660800000000 ] - [ 0.0000642000000000, 0.0007191200000000, 0.0001299200000000 ] - [ 0.0002175500000000, 0.0004242100000000, -0.0000609900000000 ] - [ 0.0001166300000000, 0.0004206500000000, -0.0001431800000000 ] - [ 0.0001094600000000, 0.0002726600000000, 0.0000132200000000 ] - [ 0.0001648600000000, -0.0003888700000000, -0.0002141800000000 ] - [ 0.0001341300000000, -0.0002944000000000, -0.0000996100000000 ] - [ 0.0001365300000000, -0.0002983500000000, -0.0000208200000000 ] - [ -0.0006116900000000, -0.0006455900000000, -0.0008958800000000 ] - [ -0.0001565200000000, -0.0000022800000000, 0.0000493500000000 ] - [ -0.0010939100000000, -0.0030100200000000, 0.0007297700000000 ] - [ 0.0000504600000000, -0.0000787600000000, -0.0000468100000000 ] - [ -0.0001886600000000, -0.0000149900000000, 0.0000257300000000 ] - [ 0.0006821700000000, 0.0007150800000000, -0.0002164000000000 ] - [ -0.0001410300000000, -0.0001005000000000, 0.0000537100000000 ] - [ -0.0001638200000000, -0.0000760900000000, 0.0001395200000000 ] - [ -0.0000304800000000, -0.0000414000000000, 0.0000825600000000 ] - [ 0.0000226400000000, 0.0000555900000000, -0.0003271300000000 ] - [ 0.0000097600000000, -0.0001300600000000, -0.0001793100000000 ] - [ -0.0000171700000000, -0.0000986200000000, -0.0000553600000000 ] - [ 0.0005040900000000, 0.0000939600000000, -0.0001389000000000 ] - [ -0.0084467300000000, -0.0069746700000000, -0.0039990000000000 ] - [ -0.0000097900000000, -0.0001681700000000, 0.0001704200000000 ] - [ -0.0000486900000000, -0.0000780000000000, 0.0002415700000000 ] - [ 0.0000710100000000, -0.0001681600000000, 0.0001672100000000 ] - [ 0.0000804300000000, -0.0000858800000000, -0.0000256300000000 ] - [ 0.0059377700000000, -0.0071210800000000, -0.0015675300000000 ] - [ 0.0000142100000000, 0.0000320800000000, -0.0000868600000000 ] - [ -0.0000279900000000, -0.0000246600000000, -0.0000444200000000 ] - [ 0.0000973100000000, 0.0001906200000000, -0.0000584600000000 ] - [ -0.0000365200000000, 0.0000098800000000, -0.0000891500000000 ] - [ 0.0006212400000000, 0.0001987500000000, -0.0002100800000000 ] - [ 0.0001195000000000, 0.0000259700000000, 0.0000156700000000 ] - [ 0.0004581600000000, -0.0003996600000000, 0.0003443500000000 ] - [ 0.0004738800000000, -0.0001303300000000, -0.0000837200000000 ] - [ 0.0010606400000000, -0.0017868500000000, -0.0007234800000000 ] - [ 0.0006112000000000, -0.0001972500000000, -0.0000156200000000 ] - [ -0.0004376000000000, 0.0001556700000000, 0.0001186000000000 ] - [ -0.0003516800000000, 0.0004222500000000, -0.0000741800000000 ] - [ -0.0004341600000000, -0.0000237100000000, 0.0000722800000000 ] - [ -0.0004955900000000, 0.0000204800000000, 0.0001842700000000 ] - [ -0.0000853300000000, 0.0002054800000000, 0.0004484000000000 ] - [ -0.0002653600000000, 0.0001339900000000, 0.0001657000000000 ] - [ -0.0002078600000000, 0.0002201300000000, 0.0001297100000000 ] - [ -0.0004579100000000, 0.0002310000000000, -0.0002250500000000 ] - [ 0.0012546700000000, -0.0011845200000000, 0.0011838200000000 ] - [ 0.0002641200000000, -0.0000384900000000, -0.0001096000000000 ] - [ 0.0002226700000000, -0.0000028500000000, -0.0001616300000000 ] - [ 0.0002972200000000, 0.0000464400000000, 0.0000165800000000 ] - [ -0.0000590900000000, 0.0003906200000000, 0.0001204300000000 ] - [ -0.0003512600000000, -0.0001316200000000, 0.0001241000000000 ] - [ -0.0006010000000000, -0.0001205600000000, 0.0002929300000000 ] - [ 0.0002318200000000, 0.0000898300000000, 0.0003503600000000 ] - [ 0.0005253300000000, -0.0005783600000000, -0.0000501000000000 ] - [ -0.0003207700000000, -0.0007776700000000, 0.0002763400000000 ] - [ 0.0003327700000000, -0.0002536100000000, -0.0001295600000000 ] - [ 0.0002521800000000, -0.0004185400000000, -0.0001181600000000 ] - [ 0.0007928400000000, 0.0002569500000000, 0.0003132400000000 ] - [ 0.0002591600000000, 0.0002129000000000, 0.0002864400000000 ] - [ 0.0003803000000000, 0.0002226700000000, 0.0003210700000000 ] - [ 0.0020657000000000, -0.0034612800000000, 0.0017258900000000 ] - [ 0.0031446700000000, -0.0118416700000000, -0.0041047200000000 ] - [ -0.0004234400000000, 0.0001013700000000, -0.0002133300000000 ] - [ -0.0005089400000000, 0.0001306400000000, -0.0003242600000000 ] - [ -0.0002871500000000, 0.0001343600000000, -0.0004144500000000 ] - [ 0.0004736800000000, 0.0002539000000000, 0.0005739400000000 ] - [ -0.0001198500000000, 0.0002686800000000, 0.0002427600000000 ] - [ 0.0000276600000000, 0.0002717300000000, -0.0001055500000000 ] - [ 0.0003092400000000, 0.0005108400000000, -0.0017356400000000 ] - [ 0.0000884500000000, -0.0038989700000000, -0.0021906900000000 ] - [ 0.0000306500000000, -0.0000718400000000, -0.0001004500000000 ] - [ 0.0000698600000000, -0.0000300100000000, -0.0000469900000000 ] - [ 0.0000016900000000, -0.0001124000000000, -0.0000563700000000 ] - [ -0.0007245700000000, -0.0001247200000000, 0.0016747900000000 ] - [ -0.0003827000000000, 0.0000458000000000, 0.0000084800000000 ] - [ -0.0003584500000000, 0.0000631100000000, -0.0000514100000000 ] - [ -0.0009830600000000, 0.0000792400000000, -0.0004072000000000 ] - [ -0.0004996900000000, -0.0008076200000000, -0.0004412300000000 ] - [ 0.0009040200000000, -0.0007695600000000, -0.0001160200000000 ] - [ 0.0003231900000000, -0.0002705100000000, -0.0000190500000000 ] - [ 0.0002706300000000, -0.0002249200000000, 0.0000916600000000 ] - [ 0.0003073300000000, 0.0017235700000000, 0.0001474000000000 ] - [ -0.0000730500000000, 0.0013844400000000, 0.0008072500000000 ] - [ 0.0000335000000000, 0.0003314800000000, 0.0004212400000000 ] - [ 0.0000917800000000, 0.0003212000000000, 0.0004300500000000 ] - [ -0.0001103400000000, -0.0000515100000000, -0.0003299700000000 ] - [ -0.0000725900000000, 0.0000552600000000, -0.0002528600000000 ] - [ -0.0003331100000000, -0.0002110200000000, -0.0001016200000000 ] - [ -0.0002252300000000, -0.0002465600000000, -0.0002799200000000 ] - [ 0.0035654300000000, 0.0436670100000000, 0.0072645400000000 ] - [ -0.0001373400000000, 0.0001572700000000, -0.0002854700000000 ] - [ 0.0000209500000000, 0.0001220400000000, -0.0002839900000000 ] - [ -0.0001832600000000, 0.0002284400000000, -0.0001739200000000 ] - [ 0.0000128300000000, -0.0002671000000000, 0.0004267200000000 ] - [ 0.0002315400000000, -0.0001170100000000, 0.0002983400000000 ] - [ 0.0000949900000000, -0.0000958400000000, 0.0002487500000000 ] - [ 0.0001610100000000, -0.0024448500000000, 0.0004691600000000 ]- atom: 137 displacement: [ -0.0045549923526468, 0.0000000000000000, 0.0089023617466001 ] forces: - [ -0.0009495200000000, 0.0003752900000000, 0.0012112800000000 ] - [ -0.0006183200000000, -0.0001382300000000, -0.0003078100000000 ] - [ -0.0017447700000000, -0.0040666700000000, 0.0012239800000000 ] - [ -0.0002329300000000, -0.0003599600000000, -0.0002799900000000 ] - [ -0.0012232300000000, -0.0022641900000000, 0.0003522400000000 ] - [ -0.0001737600000000, 0.0000702500000000, -0.0002863800000000 ] - [ -0.0001028700000000, -0.0000503100000000, -0.0001347100000000 ] - [ 0.0006238200000000, -0.0000423800000000, -0.0003251400000000 ] - [ 0.0000692700000000, -0.0001045900000000, 0.0003067500000000 ] - [ -0.0002169700000000, -0.0000081500000000, 0.0002999700000000 ] - [ -0.0002523400000000, 0.0001918200000000, 0.0000692800000000 ] - [ 0.0015296300000000, 0.0002954400000000, -0.0007196900000000 ] - [ 0.0003608000000000, -0.0001036500000000, -0.0001241400000000 ] - [ 0.0002809600000000, -0.0007319000000000, -0.0008985200000000 ] - [ 0.0002979500000000, -0.0001142100000000, 0.0003487900000000 ] - [ 0.0005674400000000, -0.0001476400000000, 0.0006262400000000 ] - [ -0.0003385300000000, -0.0009753200000000, -0.0012977800000000 ] - [ 0.0001483800000000, -0.0004537100000000, -0.0000876800000000 ] - [ 0.0001942300000000, -0.0001359900000000, 0.0003300100000000 ] - [ 0.0005200900000000, -0.0001540900000000, 0.0001606600000000 ] - [ 0.0018941700000000, 0.0007244400000000, 0.0003619800000000 ] - [ -0.0009572900000000, -0.0000460600000000, 0.0003466500000000 ] - [ -0.0013667700000000, -0.0003958000000000, -0.0002012700000000 ] - [ 0.0007361300000000, -0.0004737400000000, 0.0002029400000000 ] - [ 0.0004264400000000, -0.0000878000000000, 0.0003874200000000 ] - [ -0.0021695600000000, 0.0020480800000000, 0.0038414800000000 ] - [ -0.0000260100000000, -0.0001828900000000, 0.0003811700000000 ] - [ 0.0004972900000000, -0.0001372200000000, 0.0011021300000000 ] - [ -0.0000434300000000, -0.0003477700000000, -0.0005751400000000 ] - [ -0.0003181200000000, -0.0001713200000000, -0.0003899900000000 ] - [ -0.0005596000000000, -0.0001213800000000, -0.0000616600000000 ] - [ -0.0000513200000000, -0.0001177300000000, -0.0003361800000000 ] - [ 0.0001129000000000, 0.0002089800000000, 0.0002599400000000 ] - [ -0.0001901800000000, 0.0001438200000000, 0.0002031000000000 ] - [ -0.0000511200000000, 0.0002260400000000, -0.0002128000000000 ] - [ -0.0001464000000000, 0.0001900800000000, -0.0002778200000000 ] - [ -0.0005980600000000, -0.0009612200000000, -0.0013736200000000 ] - [ 0.0001677800000000, 0.0001914300000000, 0.0000513200000000 ] - [ 0.0012512500000000, 0.0005178300000000, -0.0004414800000000 ] - [ -0.0002565700000000, 0.0001775100000000, 0.0000256400000000 ] - [ -0.0002611100000000, -0.0000749000000000, -0.0006541700000000 ] - [ 0.0004719900000000, 0.0001418300000000, -0.0001563700000000 ] - [ 0.0006779900000000, 0.0004905100000000, 0.0000800600000000 ] - [ 0.0000282800000000, 0.0003910400000000, 0.0002166500000000 ] - [ -0.0002329600000000, 0.0002341900000000, 0.0004688700000000 ] - [ 0.0000055800000000, 0.0002492600000000, 0.0004458300000000 ] - [ 0.0000070900000000, 0.0002568200000000, -0.0002075900000000 ] - [ -0.0002877200000000, 0.0002675800000000, -0.0002378600000000 ] - [ 0.0000156600000000, -0.0001175500000000, -0.0000320600000000 ] - [ 0.0000918100000000, 0.0000917800000000, 0.0001175200000000 ] - [ 0.0002260500000000, 0.0004261700000000, -0.0003386700000000 ] - [ 0.0000873400000000, 0.0001692800000000, -0.0000686700000000 ] - [ -0.0000511300000000, -0.0000555000000000, -0.0002907300000000 ] - [ 0.0002807300000000, -0.0002003500000000, -0.0003507000000000 ] - [ 0.0004758300000000, -0.0004041600000000, 0.0000791800000000 ] - [ 0.0022608800000000, 0.0000278800000000, 0.0035482000000000 ] - [ -0.0000614000000000, 0.0001593100000000, 0.0001503700000000 ] - [ -0.0014790000000000, -0.0024807100000000, 0.0016014900000000 ] - [ -0.0000995600000000, 0.0002200900000000, -0.0000478000000000 ] - [ -0.0000950600000000, 0.0001436500000000, -0.0003857100000000 ] - [ -0.0000430900000000, -0.0001294000000000, 0.0003038800000000 ] - [ 0.0000056700000000, -0.0001816500000000, 0.0002494600000000 ] - [ -0.0000047400000000, -0.0003310400000000, -0.0001865500000000 ] - [ -0.0003312400000000, -0.0003700400000000, -0.0000344700000000 ] - [ -0.0001689500000000, -0.0000114000000000, -0.0002590900000000 ] - [ 0.0001551600000000, -0.0000181400000000, -0.0002944000000000 ] - [ 0.0001558300000000, -0.0001881000000000, -0.0000664600000000 ] - [ -0.0005340400000000, -0.0004834200000000, -0.0000061700000000 ] - [ -0.0017459100000000, -0.0007002500000000, -0.0002870900000000 ] - [ 0.0001271800000000, -0.0001727800000000, 0.0002242500000000 ] - [ 0.0001231400000000, -0.0000222400000000, -0.0003243700000000 ] - [ -0.0000805200000000, -0.0000333000000000, 0.0000186100000000 ] - [ 0.0000253100000000, -0.0000344100000000, 0.0001117300000000 ] - [ -0.0052738000000000, 0.0051427600000000, 0.0015705900000000 ] - [ -0.0000813400000000, 0.0000562600000000, -0.0001845700000000 ] - [ -0.0002020800000000, 0.0000803000000000, -0.0005150700000000 ] - [ 0.0000473300000000, 0.0003000800000000, -0.0001249700000000 ] - [ 0.0000646000000000, -0.0000206200000000, 0.0000708100000000 ] - [ -0.0000027400000000, -0.0001110200000000, -0.0000895900000000 ] - [ -0.0000067500000000, -0.0000326700000000, 0.0000249200000000 ] - [ 0.0005219100000000, -0.0000059000000000, -0.0006100200000000 ] - [ 0.0004776900000000, -0.0000294700000000, -0.0000654400000000 ] - [ -0.0002188800000000, 0.0027105500000000, 0.0009545400000000 ] - [ 0.0004415700000000, -0.0000125400000000, 0.0000610900000000 ] - [ -0.0004216800000000, 0.0000066100000000, 0.0001864100000000 ] - [ -0.0005572000000000, 0.0000373000000000, 0.0004638000000000 ] - [ -0.0004823100000000, -0.0001328200000000, -0.0000500100000000 ] - [ -0.0004724800000000, -0.0001388500000000, -0.0001338400000000 ] - [ -0.0004568300000000, -0.0002447500000000, 0.0004135700000000 ] - [ -0.0000664400000000, 0.0000432500000000, 0.0000405800000000 ] - [ -0.0000409800000000, 0.0002494300000000, 0.0000284500000000 ] - [ -0.0004016100000000, 0.0000860200000000, 0.0000702700000000 ] - [ 0.0008081300000000, -0.0003160200000000, 0.0023013200000000 ] - [ 0.0004951200000000, 0.0002388000000000, -0.0000519800000000 ] - [ 0.0003610600000000, -0.0000093400000000, -0.0003943000000000 ] - [ 0.0001227000000000, 0.0000508400000000, -0.0003058200000000 ] - [ -0.0004435900000000, -0.0001021600000000, 0.0001336100000000 ] - [ -0.0001678900000000, -0.0001896800000000, 0.0001479900000000 ] - [ 0.0000085900000000, -0.0002974800000000, 0.0000247800000000 ] - [ -0.0004423100000000, -0.0002736100000000, 0.0000666700000000 ] - [ 0.0002629600000000, -0.0001883200000000, 0.0001107400000000 ] - [ 0.0012996400000000, -0.0005494100000000, -0.0003498500000000 ] - [ 0.0004851400000000, -0.0002354700000000, -0.0002726300000000 ] - [ -0.0001351400000000, 0.0000123800000000, -0.0006394800000000 ] - [ -0.0004081400000000, -0.0000093600000000, 0.0000415800000000 ] - [ 0.0007857400000000, 0.0001536200000000, 0.0001791100000000 ] - [ 0.0007671600000000, 0.0002006100000000, 0.0004476200000000 ] - [ 0.0001792400000000, -0.0014651000000000, 0.0021770800000000 ] - [ -0.0018645300000000, 0.0049146100000000, 0.0020931200000000 ] - [ -0.0001440200000000, 0.0001269400000000, -0.0002181500000000 ] - [ -0.0002730400000000, 0.0002219200000000, -0.0004345500000000 ] - [ -0.0006414400000000, 0.0001976600000000, -0.0003468400000000 ] - [ 0.0001802300000000, 0.0000581600000000, 0.0000966400000000 ] - [ -0.0008890400000000, -0.0003396000000000, 0.0008656000000000 ] - [ -0.0001185500000000, 0.0001451800000000, 0.0000852100000000 ] - [ 0.0007018800000000, 0.0015314800000000, 0.0021901400000000 ] - [ 0.0010535900000000, 0.0018921600000000, -0.0004677800000000 ] - [ -0.0001895700000000, 0.0001589600000000, -0.0000979300000000 ] - [ -0.0002123200000000, -0.0000032000000000, 0.0003876500000000 ] - [ 0.0000664100000000, 0.0001864700000000, 0.0003034800000000 ] - [ 0.0005888700000000, -0.0012851600000000, 0.0020682300000000 ] - [ -0.0005081500000000, -0.0001745600000000, 0.0000421600000000 ] - [ -0.0011539600000000, 0.0007340900000000, 0.0005399500000000 ] - [ -0.0000793600000000, -0.0000261100000000, 0.0002199700000000 ] - [ 0.0002579200000000, -0.0001678000000000, -0.0003090100000000 ] - [ -0.0002395000000000, 0.0005831100000000, -0.0000101800000000 ] - [ 0.0002922000000000, -0.0000897400000000, 0.0002890600000000 ] - [ 0.0005990700000000, -0.0002117800000000, 0.0002641100000000 ] - [ -0.0019534100000000, 0.0004015400000000, -0.0010617000000000 ] - [ -0.0018174300000000, -0.0000445900000000, -0.0011521400000000 ] - [ 0.0001408800000000, 0.0000614200000000, 0.0007467700000000 ] - [ 0.0002213900000000, 0.0001618400000000, 0.0006750000000000 ] - [ -0.0000299800000000, 0.0003948900000000, -0.0002563900000000 ] - [ -0.0001306700000000, 0.0003146900000000, -0.0003670800000000 ] - [ -0.0002705700000000, -0.0000225900000000, -0.0003558500000000 ] - [ 0.0000752000000000, 0.0002458400000000, -0.0005691200000000 ] - [ 0.0129843100000000, -0.0050907000000000, -0.0191149600000000 ] - [ -0.0003099400000000, 0.0000224000000000, -0.0004210400000000 ] - [ -0.0004392100000000, 0.0000927900000000, 0.0001608700000000 ] - [ -0.0000085700000000, -0.0000974700000000, -0.0001415600000000 ] - [ 0.0002862100000000, 0.0002035600000000, 0.0002255300000000 ] - [ -0.0001044200000000, -0.0000094900000000, 0.0004135800000000 ] - [ -0.0000422700000000, 0.0000087100000000, 0.0002526000000000 ] - [ 0.0002894400000000, 0.0001730800000000, 0.0005282900000000 ]- atom: 137 displacement: [ 0.0045549923526468, 0.0000000000000000, -0.0089023617466001 ] forces: - [ 0.0001684400000000, -0.0005673700000000, -0.0015145500000000 ] - [ -0.0001709400000000, -0.0000538100000000, 0.0000133000000000 ] - [ 0.0009387600000000, 0.0038624300000000, -0.0015106100000000 ] - [ -0.0005561200000000, 0.0001649200000000, -0.0000156000000000 ] - [ 0.0013928800000000, 0.0022650800000000, -0.0007349800000000 ] - [ 0.0003331800000000, -0.0000573800000000, -0.0000824800000000 ] - [ 0.0002633000000000, 0.0000634600000000, -0.0002348000000000 ] - [ -0.0004661200000000, 0.0000551500000000, -0.0000445600000000 ] - [ -0.0002294300000000, 0.0001174500000000, 0.0000618000000000 ] - [ 0.0000565500000000, 0.0000197100000000, 0.0000710700000000 ] - [ 0.0000916300000000, -0.0001795900000000, 0.0003003200000000 ] - [ -0.0017115200000000, -0.0003086100000000, 0.0010918200000000 ] - [ 0.0004292500000000, -0.0000865000000000, 0.0004204000000000 ] - [ 0.0005053900000000, 0.0005421600000000, 0.0011981800000000 ] - [ 0.0004901900000000, -0.0000755500000000, -0.0000507800000000 ] - [ 0.0002202900000000, -0.0000448800000000, -0.0003292300000000 ] - [ 0.0009977800000000, 0.0005285000000000, 0.0014349300000000 ] - [ 0.0005019100000000, 0.0000211700000000, 0.0002290800000000 ] - [ 0.0004619900000000, -0.0002941500000000, -0.0001875700000000 ] - [ 0.0001329600000000, -0.0002798900000000, -0.0000205200000000 ] - [ -0.0025599700000000, -0.0011716100000000, -0.0005115600000000 ] - [ 0.0003060000000000, -0.0003920700000000, -0.0004877900000000 ] - [ 0.0007104400000000, -0.0000396600000000, 0.0000605700000000 ] - [ -0.0013900400000000, 0.0000348300000000, -0.0003517900000000 ] - [ -0.0000154600000000, -0.0002148500000000, 0.0002713100000000 ] - [ 0.0026007100000000, -0.0023786400000000, -0.0032086300000000 ] - [ 0.0004366300000000, -0.0001185300000000, 0.0002785500000000 ] - [ -0.0000875500000000, -0.0001632400000000, -0.0004394300000000 ] - [ -0.0003672900000000, 0.0000460200000000, -0.0000847200000000 ] - [ -0.0000916100000000, -0.0001316400000000, -0.0002681200000000 ] - [ 0.0001472000000000, -0.0001826200000000, -0.0005983800000000 ] - [ -0.0003592200000000, -0.0001861500000000, -0.0003225200000000 ] - [ -0.0003482900000000, 0.0001719800000000, -0.0004190600000000 ] - [ -0.0000389900000000, 0.0002339900000000, -0.0003624500000000 ] - [ -0.0001789100000000, 0.0001516700000000, 0.0000539100000000 ] - [ -0.0000841400000000, 0.0001869200000000, 0.0001187400000000 ] - [ 0.0008358200000000, 0.0013430600000000, 0.0015332600000000 ] - [ 0.0000620400000000, 0.0001860100000000, 0.0001067600000000 ] - [ -0.0010213000000000, -0.0001421900000000, 0.0006024000000000 ] - [ 0.0004892700000000, 0.0002002200000000, 0.0001349900000000 ] - [ 0.0004514200000000, 0.0005256700000000, 0.0006837600000000 ] - [ -0.0002838700000000, 0.0003066600000000, 0.0001795200000000 ] - [ -0.0004823900000000, -0.0000400300000000, -0.0000541800000000 ] - [ 0.0001596300000000, 0.0000573400000000, -0.0001940000000000 ] - [ 0.0000401500000000, 0.0002135900000000, -0.0004911400000000 ] - [ -0.0001944300000000, 0.0001983100000000, -0.0004712800000000 ] - [ -0.0001971400000000, 0.0001910100000000, 0.0001844000000000 ] - [ 0.0000964500000000, 0.0001806500000000, 0.0002143000000000 ] - [ 0.0001551100000000, 0.0004560600000000, 0.0000027800000000 ] - [ 0.0000779300000000, 0.0002470300000000, -0.0001463200000000 ] - [ -0.0000561700000000, -0.0000858300000000, 0.0003117500000000 ] - [ 0.0000834400000000, 0.0001695500000000, 0.0000417300000000 ] - [ 0.0002972900000000, -0.0003406800000000, 0.0001199000000000 ] - [ -0.0000353400000000, -0.0001951300000000, 0.0001787500000000 ] - [ -0.0002292800000000, 0.0000080200000000, -0.0002490400000000 ] - [ -0.0019949700000000, -0.0004155200000000, -0.0037395900000000 ] - [ -0.0001098300000000, 0.0001782800000000, -0.0001228900000000 ] - [ 0.0014675200000000, 0.0029218200000000, -0.0017199300000000 ] - [ -0.0000711100000000, 0.0001179800000000, 0.0000761600000000 ] - [ -0.0000764100000000, 0.0001939400000000, 0.0004122700000000 ] - [ -0.0002041300000000, -0.0002679100000000, -0.0001313000000000 ] - [ -0.0002504400000000, -0.0002125700000000, -0.0000781600000000 ] - [ -0.0002407500000000, -0.0000633500000000, 0.0003576900000000 ] - [ 0.0000866500000000, -0.0000235600000000, 0.0002053800000000 ] - [ 0.0001793500000000, -0.0002072500000000, -0.0000352600000000 ] - [ -0.0001456700000000, -0.0002001800000000, 0.0000002600000000 ] - [ -0.0001466200000000, -0.0000309100000000, -0.0002268400000000 ] - [ 0.0005451600000000, 0.0002653100000000, -0.0002853000000000 ] - [ 0.0017664200000000, 0.0005061000000000, 0.0005777200000000 ] - [ -0.0001371600000000, -0.0000444600000000, 0.0000686000000000 ] - [ -0.0001332000000000, -0.0001952500000000, 0.0006169300000000 ] - [ 0.0000707900000000, -0.0001851500000000, 0.0002752700000000 ] - [ -0.0000920400000000, -0.0000109000000000, -0.0001363700000000 ] - [ 0.0053510300000000, -0.0053369700000000, -0.0016339300000000 ] - [ 0.0000159900000000, -0.0001031000000000, 0.0001610600000000 ] - [ 0.0001347800000000, -0.0001260600000000, 0.0004882600000000 ] - [ 0.0000195300000000, -0.0003472400000000, 0.0001506000000000 ] - [ 0.0000021600000000, -0.0000248700000000, -0.0000461600000000 ] - [ 0.0000707900000000, 0.0000644800000000, 0.0001133900000000 ] - [ 0.0000748100000000, -0.0000130200000000, 0.0000007400000000 ] - [ 0.0004275300000000, -0.0001186400000000, 0.0004729800000000 ] - [ 0.0004724000000000, -0.0000956600000000, -0.0000725200000000 ] - [ 0.0010301000000000, -0.0028245500000000, -0.0009476500000000 ] - [ 0.0005095200000000, -0.0001124800000000, -0.0001991800000000 ] - [ -0.0005293100000000, -0.0001319900000000, -0.0000482200000000 ] - [ -0.0003922600000000, -0.0001615900000000, -0.0003281000000000 ] - [ -0.0004677800000000, 0.0000086900000000, 0.0001875700000000 ] - [ -0.0004778300000000, 0.0000144500000000, 0.0002712500000000 ] - [ 0.0000122400000000, 0.0004088200000000, -0.0001308000000000 ] - [ -0.0003795100000000, 0.0001166100000000, 0.0002437700000000 ] - [ -0.0004044000000000, -0.0000893300000000, 0.0002565300000000 ] - [ -0.0000428000000000, 0.0000746100000000, 0.0002171900000000 ] - [ -0.0003658000000000, 0.0004856600000000, -0.0025829300000000 ] - [ -0.0000499500000000, -0.0000802400000000, -0.0002321200000000 ] - [ 0.0000852400000000, 0.0001681300000000, 0.0001102400000000 ] - [ 0.0003224900000000, 0.0001089700000000, 0.0000221500000000 ] - [ -0.0000826300000000, -0.0002929400000000, 0.0001327900000000 ] - [ -0.0003602600000000, -0.0002038500000000, 0.0001183300000000 ] - [ -0.0005366400000000, -0.0000969100000000, 0.0002433500000000 ] - [ -0.0000843000000000, -0.0001195900000000, 0.0002011300000000 ] - [ 0.0002633600000000, -0.0002050400000000, -0.0003771100000000 ] - [ -0.0007691600000000, 0.0001586700000000, 0.0000825100000000 ] - [ 0.0000426000000000, -0.0001587500000000, 0.0000059200000000 ] - [ 0.0006607300000000, -0.0004049300000000, 0.0003681600000000 ] - [ 0.0012241800000000, 0.0003429700000000, 0.0005381900000000 ] - [ 0.0000276000000000, 0.0001783200000000, 0.0003989500000000 ] - [ 0.0000462100000000, 0.0001313800000000, 0.0001308000000000 ] - [ 0.0006382800000000, 0.0017554000000000, -0.0015847300000000 ] - [ 0.0010625500000000, -0.0045169300000000, -0.0026665300000000 ] - [ -0.0006682600000000, 0.0002043900000000, -0.0003593900000000 ] - [ -0.0005404300000000, 0.0001092200000000, -0.0001441000000000 ] - [ -0.0001712000000000, 0.0001340100000000, -0.0002320200000000 ] - [ -0.0001331200000000, 0.0001751700000000, -0.0000698400000000 ] - [ 0.0009343100000000, 0.0005728800000000, -0.0008442900000000 ] - [ 0.0001625300000000, 0.0000881300000000, -0.0000623100000000 ] - [ -0.0006476800000000, -0.0012768200000000, -0.0021452200000000 ] - [ -0.0011028500000000, -0.0016576100000000, 0.0004546100000000 ] - [ 0.0001455000000000, 0.0000734300000000, 0.0000747800000000 ] - [ 0.0001677900000000, 0.0002355000000000, -0.0004104000000000 ] - [ -0.0001111700000000, 0.0000460000000000, -0.0003287800000000 ] - [ -0.0013543300000000, 0.0010718400000000, -0.0021202100000000 ] - [ -0.0002490100000000, -0.0000512800000000, -0.0000743800000000 ] - [ 0.0003927700000000, -0.0009575100000000, -0.0005686200000000 ] - [ -0.0006803200000000, -0.0001994500000000, -0.0002555400000000 ] - [ 0.0005034700000000, -0.0000574300000000, 0.0003434800000000 ] - [ 0.0009953500000000, -0.0008082800000000, 0.0000423200000000 ] - [ 0.0004646300000000, -0.0001372400000000, -0.0002578000000000 ] - [ 0.0001585800000000, -0.0000163500000000, -0.0002324600000000 ] - [ 0.0021355400000000, -0.0000084100000000, 0.0018082100000000 ] - [ 0.0020072300000000, 0.0004388400000000, 0.0019226100000000 ] - [ 0.0000434100000000, 0.0003340100000000, 0.0000126500000000 ] - [ -0.0000365000000000, 0.0002334600000000, 0.0000870800000000 ] - [ -0.0001542800000000, -0.0000019000000000, -0.0005041100000000 ] - [ -0.0000539200000000, 0.0000792700000000, -0.0003925900000000 ] - [ 0.0000879700000000, 0.0004155700000000, -0.0004062300000000 ] - [ -0.0002618100000000, 0.0001477600000000, -0.0001917200000000 ] - [ -0.0134463400000000, 0.0051398900000000, 0.0186295800000000 ] - [ 0.0000687300000000, 0.0000168700000000, -0.0001309300000000 ] - [ 0.0001977800000000, -0.0000532900000000, -0.0007127700000000 ] - [ -0.0002327300000000, 0.0001370000000000, -0.0004108300000000 ] - [ -0.0000458300000000, -0.0001664300000000, 0.0003274800000000 ] - [ 0.0003458300000000, 0.0000482200000000, 0.0001392200000000 ] - [ 0.0002831400000000, 0.0000297500000000, 0.0002990000000000 ] - [ -0.0000483800000000, -0.0001361200000000, 0.0000208200000000 ]