# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c2452e26-4492-4693-86d5-4bbf3b9d21a7/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 NaSbF4 / P2_1/c (14) / materials id 29269](https://mdr.nims.go.jp/datasets/5650544d-e2c5-40c6-9da6-4beb7a176fea) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.956027950000000, 0.000000000000000, 0.060998240000000 ] # a - [ 0.000000000000000, 5.680297140000000, 0.000000000000000 ] # b - [ -0.026472110000000, 0.000000000000000, 8.439160920000001 ] # c points: - symbol: F # 1 coordinates: [ 0.408562290000000, 0.512049800000000, 0.695025320000000 ] mass: 18.998403 - symbol: F # 2 coordinates: [ 0.591437710000000, 0.012049800000000, 0.804974680000000 ] mass: 18.998403 - symbol: F # 3 coordinates: [ 0.591437710000000, 0.487950200000000, 0.304974680000000 ] mass: 18.998403 - symbol: F # 4 coordinates: [ 0.408562290000000, 0.987950200000000, 0.195025320000000 ] mass: 18.998403 - symbol: F # 5 coordinates: [ 0.190381300000000, 0.415203230000000, 0.416100550000000 ] mass: 18.998403 - symbol: F # 6 coordinates: [ 0.809618700000000, 0.915203230000000, 0.083899450000000 ] mass: 18.998403 - symbol: F # 7 coordinates: [ 0.809618700000000, 0.584796770000000, 0.583899450000000 ] mass: 18.998403 - symbol: F # 8 coordinates: [ 0.190381300000000, 0.084796770000000, 0.916100550000000 ] mass: 18.998403 - symbol: F # 9 coordinates: [ 0.886278320000000, 0.139129550000000, 0.678903130000000 ] mass: 18.998403 - symbol: F # 10 coordinates: [ 0.113721680000000, 0.639129550000000, 0.821096870000000 ] mass: 18.998403 - symbol: F # 11 coordinates: [ 0.113721680000000, 0.860870450000000, 0.321096870000000 ] mass: 18.998403 - symbol: F # 12 coordinates: [ 0.886278320000000, 0.360870450000000, 0.178903130000000 ] mass: 18.998403 - symbol: F # 13 coordinates: [ 0.702895630000000, 0.052166210000000, 0.356208800000000 ] mass: 18.998403 - symbol: F # 14 coordinates: [ 0.297104370000000, 0.552166210000000, 0.143791200000000 ] mass: 18.998403 - symbol: F # 15 coordinates: [ 0.297104370000000, 0.947833790000000, 0.643791200000000 ] mass: 18.998403 - symbol: F # 16 coordinates: [ 0.702895630000000, 0.447833790000000, 0.856208800000000 ] mass: 18.998403 - symbol: Na # 17 coordinates: [ 0.147552040000000, 0.202385440000000, 0.172847060000000 ] mass: 22.989769 - symbol: Na # 18 coordinates: [ 0.852447960000000, 0.702385440000000, 0.327152940000000 ] mass: 22.989769 - symbol: Na # 19 coordinates: [ 0.852447960000000, 0.797614560000000, 0.827152940000000 ] mass: 22.989769 - symbol: Na # 20 coordinates: [ 0.147552040000000, 0.297614560000000, 0.672847060000000 ] mass: 22.989769 - symbol: Sb # 21 coordinates: [ 0.336809750000000, 0.699868740000000, 0.354348670000000 ] mass: 121.760000 - symbol: Sb # 22 coordinates: [ 0.663190250000000, 0.199868740000000, 0.145651330000000 ] mass: 121.760000 - symbol: Sb # 23 coordinates: [ 0.663190250000000, 0.300131260000000, 0.645651330000000 ] mass: 121.760000 - symbol: Sb # 24 coordinates: [ 0.336809750000000, 0.800131260000000, 0.854348670000000 ] mass: 121.760000 reciprocal_lattice: # without 2pi - [ 0.125687837841671, 0.000000000000000, 0.000394259844142 ] # a* - [ 0.000000000000000, 0.176047128407793, 0.000000000000000 ] # b* - [ -0.000908471466586, 0.000000000000000, 0.118492343056708 ] # c*unit_cell: lattice: - [ 7.956027950000000, 0.000000000000000, 0.060998240000000 ] # a - [ 0.000000000000000, 5.680297140000000, 0.000000000000000 ] # b - [ -0.026472110000000, 0.000000000000000, 8.439160920000001 ] # c points: - symbol: F # 1 coordinates: [ 0.408562290000000, 0.512049800000000, 0.695025320000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.591437710000000, 0.012049800000000, 0.804974680000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 3 coordinates: [ 0.591437710000000, 0.487950200000000, 0.304974680000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.408562290000000, 0.987950200000000, 0.195025320000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 5 coordinates: [ 0.190381300000000, 0.415203230000000, 0.416100550000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.809618700000000, 0.915203230000000, 0.083899450000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 7 coordinates: [ 0.809618700000000, 0.584796770000000, 0.583899450000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 8 coordinates: [ 0.190381300000000, 0.084796770000000, 0.916100550000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 9 coordinates: [ 0.886278320000000, 0.139129550000000, 0.678903130000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.113721680000000, 0.639129550000000, 0.821096870000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 11 coordinates: [ 0.113721680000000, 0.860870450000000, 0.321096870000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 12 coordinates: [ 0.886278320000000, 0.360870450000000, 0.178903130000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 13 coordinates: [ 0.702895630000000, 0.052166210000000, 0.356208800000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.297104370000000, 0.552166210000000, 0.143791200000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 15 coordinates: [ 0.297104370000000, 0.947833790000000, 0.643791200000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 16 coordinates: [ 0.702895630000000, 0.447833790000000, 0.856208800000000 ] mass: 18.998403 reduced_to: 16 - symbol: Na # 17 coordinates: [ 0.147552040000000, 0.202385440000000, 0.172847060000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.852447960000000, 0.702385440000000, 0.327152940000000 ] mass: 22.989769 reduced_to: 18 - symbol: Na # 19 coordinates: [ 0.852447960000000, 0.797614560000000, 0.827152940000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.147552040000000, 0.297614560000000, 0.672847060000000 ] mass: 22.989769 reduced_to: 20 - symbol: Sb # 21 coordinates: [ 0.336809750000000, 0.699868740000000, 0.354348670000000 ] mass: 121.760000 reduced_to: 21 - symbol: Sb # 22 coordinates: [ 0.663190250000000, 0.199868740000000, 0.145651330000000 ] mass: 121.760000 reduced_to: 22 - symbol: Sb # 23 coordinates: [ 0.663190250000000, 0.300131260000000, 0.645651330000000 ] mass: 121.760000 reduced_to: 23 - symbol: Sb # 24 coordinates: [ 0.336809750000000, 0.800131260000000, 0.854348670000000 ] mass: 121.760000 reduced_to: 24supercell: lattice: - [ 15.912055900000000, 0.000000000000000, 0.121996480000000 ] # a - [ 0.000000000000000, 11.360594280000001, 0.000000000000000 ] # b - [ -0.026472110000000, 0.000000000000000, 8.439160920000001 ] # c points: - symbol: F # 1 coordinates: [ 0.204281145000000, 0.256024900000000, 0.695025320000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.704281145000000, 0.256024900000000, 0.695025320000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 3 coordinates: [ 0.204281145000000, 0.756024900000000, 0.695025320000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 4 coordinates: [ 0.704281145000000, 0.756024900000000, 0.695025320000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 5 coordinates: [ 0.295718855000000, 0.006024900000000, 0.804974680000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.795718855000000, 0.006024900000000, 0.804974680000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 7 coordinates: [ 0.295718855000000, 0.506024900000000, 0.804974680000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 8 coordinates: [ 0.795718855000000, 0.506024900000000, 0.804974680000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 9 coordinates: [ 0.295718855000000, 0.243975100000000, 0.304974680000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.795718855000000, 0.243975100000000, 0.304974680000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 11 coordinates: [ 0.295718855000000, 0.743975100000000, 0.304974680000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 12 coordinates: [ 0.795718855000000, 0.743975100000000, 0.304974680000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 13 coordinates: [ 0.204281145000000, 0.493975100000000, 0.195025320000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.704281145000000, 0.493975100000000, 0.195025320000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 15 coordinates: [ 0.204281145000000, 0.993975100000000, 0.195025320000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 16 coordinates: [ 0.704281145000000, 0.993975100000000, 0.195025320000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 17 coordinates: [ 0.095190650000000, 0.207601615000000, 0.416100550000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.595190650000000, 0.207601615000000, 0.416100550000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 19 coordinates: [ 0.095190650000000, 0.707601615000000, 0.416100550000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 20 coordinates: [ 0.595190650000000, 0.707601615000000, 0.416100550000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 21 coordinates: [ 0.404809350000000, 0.457601615000000, 0.083899450000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 22 coordinates: [ 0.904809350000000, 0.457601615000000, 0.083899450000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 23 coordinates: [ 0.404809350000000, 0.957601615000000, 0.083899450000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 24 coordinates: [ 0.904809350000000, 0.957601615000000, 0.083899450000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 25 coordinates: [ 0.404809350000000, 0.292398385000000, 0.583899450000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 26 coordinates: [ 0.904809350000000, 0.292398385000000, 0.583899450000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 27 coordinates: [ 0.404809350000000, 0.792398385000000, 0.583899450000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 28 coordinates: [ 0.904809350000000, 0.792398385000000, 0.583899450000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 29 coordinates: [ 0.095190650000000, 0.042398385000000, 0.916100550000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 30 coordinates: [ 0.595190650000000, 0.042398385000000, 0.916100550000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 31 coordinates: [ 0.095190650000000, 0.542398385000000, 0.916100550000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 32 coordinates: [ 0.595190650000000, 0.542398385000000, 0.916100550000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 33 coordinates: [ 0.443139160000000, 0.069564775000000, 0.678903130000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 34 coordinates: [ 0.943139160000000, 0.069564775000000, 0.678903130000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 35 coordinates: [ 0.443139160000000, 0.569564775000000, 0.678903130000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 36 coordinates: [ 0.943139160000000, 0.569564775000000, 0.678903130000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 37 coordinates: [ 0.056860840000000, 0.319564775000000, 0.821096870000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 38 coordinates: [ 0.556860840000000, 0.319564775000000, 0.821096870000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 39 coordinates: [ 0.056860840000000, 0.819564775000000, 0.821096870000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 40 coordinates: [ 0.556860840000000, 0.819564775000000, 0.821096870000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 41 coordinates: [ 0.056860840000000, 0.430435225000000, 0.321096870000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 42 coordinates: [ 0.556860840000000, 0.430435225000000, 0.321096870000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 43 coordinates: [ 0.056860840000000, 0.930435225000000, 0.321096870000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 44 coordinates: [ 0.556860840000000, 0.930435225000000, 0.321096870000000 ] mass: 18.998403 reduced_to: 41 - symbol: F # 45 coordinates: [ 0.443139160000000, 0.180435225000000, 0.178903130000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 46 coordinates: [ 0.943139160000000, 0.180435225000000, 0.178903130000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 47 coordinates: [ 0.443139160000000, 0.680435225000000, 0.178903130000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 48 coordinates: [ 0.943139160000000, 0.680435225000000, 0.178903130000000 ] mass: 18.998403 reduced_to: 45 - symbol: F # 49 coordinates: [ 0.351447815000000, 0.026083105000000, 0.356208800000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 50 coordinates: [ 0.851447815000000, 0.026083105000000, 0.356208800000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 51 coordinates: [ 0.351447815000000, 0.526083105000000, 0.356208800000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 52 coordinates: [ 0.851447815000000, 0.526083105000000, 0.356208800000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 53 coordinates: [ 0.148552185000000, 0.276083105000000, 0.143791200000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 54 coordinates: [ 0.648552185000000, 0.276083105000000, 0.143791200000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 55 coordinates: [ 0.148552185000000, 0.776083105000000, 0.143791200000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 56 coordinates: [ 0.648552185000000, 0.776083105000000, 0.143791200000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 57 coordinates: [ 0.148552185000000, 0.473916895000000, 0.643791200000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 58 coordinates: [ 0.648552185000000, 0.473916895000000, 0.643791200000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 59 coordinates: [ 0.148552185000000, 0.973916895000000, 0.643791200000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 60 coordinates: [ 0.648552185000000, 0.973916895000000, 0.643791200000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 61 coordinates: [ 0.351447815000000, 0.223916895000000, 0.856208800000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 62 coordinates: [ 0.851447815000000, 0.223916895000000, 0.856208800000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 63 coordinates: [ 0.351447815000000, 0.723916895000000, 0.856208800000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 64 coordinates: [ 0.851447815000000, 0.723916895000000, 0.856208800000000 ] mass: 18.998403 reduced_to: 61 - symbol: Na # 65 coordinates: [ 0.073776020000000, 0.101192720000000, 0.172847060000000 ] mass: 22.989769 reduced_to: 65 - symbol: Na # 66 coordinates: [ 0.573776020000000, 0.101192720000000, 0.172847060000000 ] mass: 22.989769 reduced_to: 65 - symbol: Na # 67 coordinates: [ 0.073776020000000, 0.601192720000000, 0.172847060000000 ] mass: 22.989769 reduced_to: 65 - symbol: Na # 68 coordinates: [ 0.573776020000000, 0.601192720000000, 0.172847060000000 ] mass: 22.989769 reduced_to: 65 - symbol: Na # 69 coordinates: [ 0.426223980000000, 0.351192720000000, 0.327152940000000 ] mass: 22.989769 reduced_to: 69 - symbol: Na # 70 coordinates: [ 0.926223980000000, 0.351192720000000, 0.327152940000000 ] mass: 22.989769 reduced_to: 69 - symbol: Na # 71 coordinates: [ 0.426223980000000, 0.851192720000000, 0.327152940000000 ] mass: 22.989769 reduced_to: 69 - symbol: Na # 72 coordinates: [ 0.926223980000000, 0.851192720000000, 0.327152940000000 ] mass: 22.989769 reduced_to: 69 - symbol: Na # 73 coordinates: [ 0.426223980000000, 0.398807280000000, 0.827152940000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 74 coordinates: [ 0.926223980000000, 0.398807280000000, 0.827152940000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 75 coordinates: [ 0.426223980000000, 0.898807280000000, 0.827152940000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 76 coordinates: [ 0.926223980000000, 0.898807280000000, 0.827152940000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 77 coordinates: [ 0.073776020000000, 0.148807280000000, 0.672847060000000 ] mass: 22.989769 reduced_to: 77 - symbol: Na # 78 coordinates: [ 0.573776020000000, 0.148807280000000, 0.672847060000000 ] mass: 22.989769 reduced_to: 77 - symbol: Na # 79 coordinates: [ 0.073776020000000, 0.648807280000000, 0.672847060000000 ] mass: 22.989769 reduced_to: 77 - symbol: Na # 80 coordinates: [ 0.573776020000000, 0.648807280000000, 0.672847060000000 ] mass: 22.989769 reduced_to: 77 - symbol: Sb # 81 coordinates: [ 0.168404875000000, 0.349934370000000, 0.354348670000000 ] mass: 121.760000 reduced_to: 81 - symbol: Sb # 82 coordinates: [ 0.668404875000000, 0.349934370000000, 0.354348670000000 ] mass: 121.760000 reduced_to: 81 - symbol: Sb # 83 coordinates: [ 0.168404875000000, 0.849934370000000, 0.354348670000000 ] mass: 121.760000 reduced_to: 81 - symbol: Sb # 84 coordinates: [ 0.668404875000000, 0.849934370000000, 0.354348670000000 ] mass: 121.760000 reduced_to: 81 - symbol: Sb # 85 coordinates: [ 0.331595125000000, 0.099934370000000, 0.145651330000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 86 coordinates: [ 0.831595125000000, 0.099934370000000, 0.145651330000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 87 coordinates: [ 0.331595125000000, 0.599934370000000, 0.145651330000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 88 coordinates: [ 0.831595125000000, 0.599934370000000, 0.145651330000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 89 coordinates: [ 0.331595125000000, 0.150065630000000, 0.645651330000000 ] mass: 121.760000 reduced_to: 89 - symbol: Sb # 90 coordinates: [ 0.831595125000000, 0.150065630000000, 0.645651330000000 ] mass: 121.760000 reduced_to: 89 - symbol: Sb # 91 coordinates: [ 0.331595125000000, 0.650065630000000, 0.645651330000000 ] mass: 121.760000 reduced_to: 89 - symbol: Sb # 92 coordinates: [ 0.831595125000000, 0.650065630000000, 0.645651330000000 ] mass: 121.760000 reduced_to: 89 - symbol: Sb # 93 coordinates: [ 0.168404875000000, 0.400065630000000, 0.854348670000000 ] mass: 121.760000 reduced_to: 93 - symbol: Sb # 94 coordinates: [ 0.668404875000000, 0.400065630000000, 0.854348670000000 ] mass: 121.760000 reduced_to: 93 - symbol: Sb # 95 coordinates: [ 0.168404875000000, 0.900065630000000, 0.854348670000000 ] mass: 121.760000 reduced_to: 93 - symbol: Sb # 96 coordinates: [ 0.668404875000000, 0.900065630000000, 0.854348670000000 ] mass: 121.760000 reduced_to: 93born_effective_charge:- # 1 (F) - [ -1.150256470000000, 0.746177230000000, 0.422442150000000 ] - [ 0.807640990000000, -1.624913440000000, -0.777826610000000 ] - [ 0.259793420000000, -0.629426890000000, -1.285090700000000 ]- # 2 (F) - [ -1.150256470000000, -0.746177230000000, 0.422442150000000 ] - [ -0.807640990000000, -1.624913440000000, 0.777826610000000 ] - [ 0.259793420000000, 0.629426890000000, -1.285090700000000 ]- # 3 (F) - [ -1.150256470000000, 0.746177230000000, 0.422442150000000 ] - [ 0.807640990000000, -1.624913440000000, -0.777826610000000 ] - [ 0.259793420000000, -0.629426890000000, -1.285090700000000 ]- # 4 (F) - [ -1.150256470000000, -0.746177230000000, 0.422442150000000 ] - [ -0.807640990000000, -1.624913440000000, 0.777826610000000 ] - [ 0.259793420000000, 0.629426890000000, -1.285090700000000 ]- # 5 (F) - [ -1.089175830000000, -0.581227940000000, 0.082000130000000 ] - [ -0.681482870000000, -1.385247830000000, 0.156068400000000 ] - [ 0.267264240000000, 0.376233920000000, -0.802232050000000 ]- # 6 (F) - [ -1.089175830000000, 0.581227940000000, 0.082000130000000 ] - [ 0.681482870000000, -1.385247830000000, -0.156068400000000 ] - [ 0.267264240000000, -0.376233920000000, -0.802232050000000 ]- # 7 (F) - [ -1.089175830000000, -0.581227940000000, 0.082000130000000 ] - [ -0.681482870000000, -1.385247830000000, 0.156068400000000 ] - [ 0.267264240000000, 0.376233920000000, -0.802232050000000 ]- # 8 (F) - [ -1.089175830000000, 0.581227940000000, 0.082000130000000 ] - [ 0.681482870000000, -1.385247830000000, -0.156068400000000 ] - [ 0.267264240000000, -0.376233920000000, -0.802232050000000 ]- # 9 (F) - [ -1.763383450000000, 0.403255570000000, -0.250963350000000 ] - [ 0.569900540000000, -0.899896500000000, 0.243090370000000 ] - [ -0.030673360000000, 0.071566080000000, -0.585604400000000 ]- # 10 (F) - [ -1.763383450000000, -0.403255570000000, -0.250963350000000 ] - [ -0.569900540000000, -0.899896500000000, -0.243090370000000 ] - [ -0.030673360000000, -0.071566080000000, -0.585604400000000 ]- # 11 (F) - [ -1.763383450000000, 0.403255570000000, -0.250963350000000 ] - [ 0.569900540000000, -0.899896500000000, 0.243090370000000 ] - [ -0.030673360000000, 0.071566080000000, -0.585604400000000 ]- # 12 (F) - [ -1.763383450000000, -0.403255570000000, -0.250963350000000 ] - [ -0.569900540000000, -0.899896500000000, -0.243090370000000 ] - [ -0.030673360000000, -0.071566080000000, -0.585604400000000 ]- # 13 (F) - [ -0.597771060000000, 0.101466720000000, 0.007727410000000 ] - [ 0.082716050000000, -0.906996250000000, 0.133430210000000 ] - [ -0.185563250000000, 0.218387720000000, -1.886202810000000 ]- # 14 (F) - [ -0.597771060000000, -0.101466720000000, 0.007727410000000 ] - [ -0.082716050000000, -0.906996250000000, -0.133430210000000 ] - [ -0.185563250000000, -0.218387720000000, -1.886202810000000 ]- # 15 (F) - [ -0.597771060000000, 0.101466720000000, 0.007727410000000 ] - [ 0.082716050000000, -0.906996250000000, 0.133430210000000 ] - [ -0.185563250000000, 0.218387720000000, -1.886202810000000 ]- # 16 (F) - [ -0.597771060000000, -0.101466720000000, 0.007727410000000 ] - [ -0.082716050000000, -0.906996250000000, -0.133430210000000 ] - [ -0.185563250000000, -0.218387720000000, -1.886202810000000 ]- # 17 (Na) - [ 1.251767800000000, -0.088179870000000, 0.023013520000000 ] - [ 0.008899450000000, 1.156828910000000, 0.101339220000000 ] - [ -0.001410700000000, 0.051705530000000, 1.002354730000000 ]- # 18 (Na) - [ 1.251767800000000, 0.088179870000000, 0.023013520000000 ] - [ -0.008899450000000, 1.156828910000000, -0.101339220000000 ] - [ -0.001410700000000, -0.051705530000000, 1.002354730000000 ]- # 19 (Na) - [ 1.251767800000000, -0.088179870000000, 0.023013520000000 ] - [ 0.008899450000000, 1.156828910000000, 0.101339220000000 ] - [ -0.001410700000000, 0.051705530000000, 1.002354730000000 ]- # 20 (Na) - [ 1.251767800000000, 0.088179870000000, 0.023013520000000 ] - [ -0.008899450000000, 1.156828910000000, -0.101339220000000 ] - [ -0.001410700000000, -0.051705530000000, 1.002354730000000 ]- # 21 (Sb) - [ 3.348819000000000, 0.112042490000000, -0.284219860000000 ] - [ -0.261885950000000, 3.660225100000000, -0.452172960000000 ] - [ -0.309410360000000, -0.277693310000000, 3.556775230000000 ]- # 22 (Sb) - [ 3.348819000000000, -0.112042490000000, -0.284219860000000 ] - [ 0.261885950000000, 3.660225100000000, 0.452172960000000 ] - [ -0.309410360000000, 0.277693310000000, 3.556775230000001 ]- # 23 (Sb) - [ 3.348819000000000, 0.112042490000000, -0.284219860000000 ] - [ -0.261885950000000, 3.660225100000000, -0.452172960000000 ] - [ -0.309410360000000, -0.277693310000000, 3.556775230000001 ]- # 24 (Sb) - [ 3.348819000000000, -0.112042490000000, -0.284219860000000 ] - [ 0.261885950000000, 3.660225100000000, 0.452172960000000 ] - [ -0.309410360000000, 0.277693310000000, 3.556775230000001 ]dielectric_constant: - [ 2.382286470000000, 0.000000000000000, -0.107292140000000 ] - [ 0.000000000000000, 2.502262630000000, 0.000000000000000 ] - [ -0.107292740000000, 0.000000000000000, 2.479712770000000 ]displacements:- atom: 1 displacement: [ 0.0099997061045471, 0.0000000000000000, 0.0000766669595341 ] forces: - [ -0.0360165800000000, 0.0124668000000000, 0.0024464300000000 ] - [ 0.0009899300000000, 0.0004761100000000, -0.0001478700000000 ] - [ -0.0003319300000000, 0.0004759100000000, 0.0000767100000000 ] - [ 0.0007272600000000, 0.0002632000000000, -0.0002866600000000 ] - [ -0.0044487900000000, -0.0033470200000000, 0.0049483100000000 ] - [ 0.0006051300000000, 0.0014511500000000, -0.0004186500000000 ] - [ -0.0044293900000000, -0.0012059300000000, 0.0025690000000000 ] - [ 0.0006049400000000, 0.0010925000000000, -0.0002187900000000 ] - [ -0.0029528700000000, 0.0020092000000000, -0.0003244400000000 ] - [ 0.0005111100000000, -0.0011373200000000, -0.0001631000000000 ] - [ -0.0004013400000000, -0.0012498800000000, -0.0001863600000000 ] - [ 0.0004033500000000, -0.0012927600000000, -0.0003201200000000 ] - [ -0.0010681500000000, -0.0024055900000000, -0.0003129600000000 ] - [ 0.0006196200000000, -0.0003787600000000, -0.0002259200000000 ] - [ -0.0015362900000000, -0.0017644800000000, 0.0004312000000000 ] - [ 0.0007799700000000, -0.0004769900000000, -0.0001170300000000 ] - [ 0.0003539400000000, -0.0003896600000000, 0.0036201700000000 ] - [ 0.0012460600000000, 0.0006373100000000, -0.0004187800000000 ] - [ -0.0003756300000000, -0.0010568700000000, 0.0001228400000000 ] - [ 0.0004301800000000, -0.0000352500000000, -0.0001092500000000 ] - [ -0.0007947100000000, 0.0007212800000000, 0.0001837500000000 ] - [ 0.0006253900000000, -0.0006957300000000, -0.0002293600000000 ] - [ -0.0001586800000000, -0.0003505500000000, -0.0001247200000000 ] - [ 0.0000137100000000, -0.0000863900000000, 0.0000499000000000 ] - [ 0.0011476200000000, 0.0040341900000000, -0.0002547300000000 ] - [ 0.0009815700000000, 0.0006847700000000, 0.0002149800000000 ] - [ -0.0010864800000000, -0.0016730900000000, 0.0001695500000000 ] - [ -0.0000194900000000, 0.0001239800000000, 0.0001080400000000 ] - [ -0.0006492200000000, 0.0025393800000000, -0.0006547600000000 ] - [ 0.0013195900000000, -0.0006210800000000, 0.0001145800000000 ] - [ 0.0029811600000000, -0.0027689300000000, -0.0004382300000000 ] - [ 0.0004488300000000, 0.0000186600000000, -0.0000415200000000 ] - [ 0.0106702700000000, -0.0034139300000000, 0.0050067900000000 ] - [ 0.0005649100000000, 0.0009569300000000, 0.0004127000000000 ] - [ -0.0015692200000000, 0.0010874400000000, 0.0002927000000000 ] - [ 0.0003697200000000, 0.0000931100000000, 0.0005626700000000 ] - [ 0.0081980200000000, -0.0062792100000000, -0.0081858100000000 ] - [ 0.0022570600000000, 0.0014716200000000, 0.0001375000000000 ] - [ -0.0004117800000000, 0.0002362800000000, -0.0006422900000000 ] - [ 0.0015826600000000, 0.0005604000000000, -0.0000768100000000 ] - [ 0.0003031700000000, -0.0007576900000000, -0.0004417400000000 ] - [ 0.0014133200000000, -0.0006576700000000, -0.0002729600000000 ] - [ 0.0001821400000000, -0.0004042700000000, -0.0002768000000000 ] - [ 0.0018294000000000, -0.0012293400000000, -0.0002163800000000 ] - [ -0.0009276500000000, -0.0005969200000000, 0.0000963800000000 ] - [ 0.0001792600000000, -0.0003001400000000, 0.0003343100000000 ] - [ -0.0016177500000000, -0.0011640000000000, -0.0000079900000000 ] - [ -0.0003345100000000, -0.0008071100000000, 0.0002320400000000 ] - [ -0.0000238600000000, -0.0016302200000000, -0.0041980300000000 ] - [ 0.0003017000000000, -0.0003640100000000, 0.0007021900000000 ] - [ -0.0004398500000000, -0.0001506300000000, 0.0003499100000000 ] - [ 0.0003756000000000, -0.0005855400000000, 0.0006662800000000 ] - [ -0.0004879000000000, 0.0002627600000000, -0.0010902200000000 ] - [ 0.0002584300000000, -0.0002901800000000, -0.0006907400000000 ] - [ -0.0003714500000000, -0.0009706500000000, -0.0007622900000000 ] - [ 0.0000988100000000, -0.0005282500000000, -0.0006978700000000 ] - [ -0.0003178900000000, -0.0055013100000000, 0.0003302500000000 ] - [ 0.0001804200000000, 0.0005131000000000, -0.0006853900000000 ] - [ -0.0013113500000000, 0.0014959400000000, -0.0007945100000000 ] - [ 0.0005379700000000, 0.0001509800000000, -0.0005959700000000 ] - [ 0.0063934700000000, -0.0008454900000000, 0.0058401000000000 ] - [ 0.0006960100000000, 0.0007053600000000, 0.0006932700000000 ] - [ -0.0002663600000000, -0.0002248300000000, 0.0006539800000000 ] - [ 0.0003065000000000, 0.0003628400000000, 0.0006353600000000 ] - [ 0.0004165500000000, -0.0007873400000000, 0.0002244200000000 ] - [ -0.0005042200000000, 0.0001535900000000, 0.0001346000000000 ] - [ 0.0000446400000000, 0.0008635400000000, 0.0007325900000000 ] - [ 0.0001363100000000, 0.0000802600000000, 0.0001642500000000 ] - [ -0.0002797800000000, -0.0009200200000000, 0.0007752000000000 ] - [ -0.0009041700000000, 0.0001883500000000, -0.0002950500000000 ] - [ -0.0004296000000000, 0.0011988500000000, 0.0001011600000000 ] - [ -0.0003319400000000, 0.0000796900000000, -0.0001706700000000 ] - [ -0.0005575500000000, -0.0019489700000000, -0.0009041300000000 ] - [ -0.0020811700000000, 0.0004417200000000, -0.0001481700000000 ] - [ -0.0004081100000000, 0.0017330900000000, -0.0008845100000000 ] - [ -0.0004180700000000, -0.0003026800000000, -0.0001003200000000 ] - [ 0.0026399300000000, -0.0012399900000000, -0.0001977200000000 ] - [ -0.0018371900000000, -0.0005810300000000, 0.0001267100000000 ] - [ -0.0000772100000000, 0.0011905400000000, -0.0002253300000000 ] - [ 0.0000469200000000, -0.0000329000000000, 0.0001626200000000 ] - [ 0.0048142300000000, 0.0011577100000000, -0.0031433800000000 ] - [ -0.0019015000000000, -0.0000864600000000, 0.0004525200000000 ] - [ 0.0020426300000000, 0.0019751900000000, -0.0002306600000000 ] - [ -0.0016400700000000, 0.0010471600000000, 0.0002927100000000 ] - [ 0.0027390000000000, -0.0005004800000000, 0.0004172500000000 ] - [ -0.0016502700000000, 0.0001025800000000, 0.0000835600000000 ] - [ 0.0027128600000000, 0.0014311000000000, 0.0004141900000000 ] - [ -0.0014691100000000, 0.0012141400000000, 0.0002379000000000 ] - [ 0.0009849800000000, -0.0026857300000000, -0.0092784900000000 ] - [ -0.0026349800000000, -0.0012594700000000, 0.0000002100000000 ] - [ 0.0026596700000000, 0.0016227700000000, -0.0009789900000000 ] - [ -0.0016447500000000, -0.0000089000000000, -0.0000811700000000 ] - [ 0.0096412200000000, 0.0101357000000000, 0.0044448900000000 ] - [ -0.0020876900000000, -0.0011563900000000, 0.0001102400000000 ] - [ 0.0050286400000000, -0.0005525200000000, 0.0002780700000000 ] - [ -0.0021892300000000, 0.0001933900000000, 0.0001126200000000 ]- atom: 1 displacement: [ -0.0099997061045471, 0.0000000000000000, -0.0000766669595341 ] forces: - [ 0.0362372200000000, -0.0103759900000000, -0.0023977900000000 ] - [ -0.0007413400000000, 0.0011671800000000, 0.0002348500000000 ] - [ 0.0005765200000000, 0.0011589400000000, 0.0000097800000000 ] - [ -0.0004768100000000, 0.0013758500000000, 0.0003712000000000 ] - [ 0.0041612600000000, 0.0049658200000000, -0.0049923700000000 ] - [ -0.0008493000000000, 0.0001933400000000, 0.0003309900000000 ] - [ 0.0041439200000000, 0.0028381700000000, -0.0026280000000000 ] - [ -0.0008465400000000, 0.0005540100000000, 0.0001303200000000 ] - [ 0.0026799700000000, -0.0036241900000000, 0.0002344000000000 ] - [ -0.0007547300000000, -0.0005060400000000, 0.0000748800000000 ] - [ 0.0001553800000000, -0.0004023200000000, 0.0000940200000000 ] - [ -0.0006454300000000, -0.0003533000000000, 0.0002310500000000 ] - [ 0.0012966600000000, 0.0007370600000000, 0.0003846800000000 ] - [ -0.0003699500000000, -0.0012607600000000, 0.0003106800000000 ] - [ 0.0017703800000000, 0.0001142300000000, -0.0003418600000000 ] - [ -0.0005309000000000, -0.0011667000000000, 0.0002042700000000 ] - [ 0.0001039900000000, 0.0002757900000000, -0.0038250300000000 ] - [ -0.0007903100000000, -0.0007520600000000, 0.0002494800000000 ] - [ 0.0008194700000000, 0.0009264800000000, -0.0002875600000000 ] - [ 0.0000177800000000, -0.0000855000000000, -0.0000572800000000 ] - [ 0.0003390100000000, -0.0008352100000000, -0.0000178000000000 ] - [ -0.0010711700000000, 0.0005794500000000, 0.0003947700000000 ] - [ -0.0002923500000000, 0.0002291800000000, 0.0002878400000000 ] - [ -0.0004632100000000, -0.0000324800000000, 0.0001152300000000 ] - [ -0.0015961700000000, -0.0039107700000000, 0.0004163600000000 ] - [ -0.0014292500000000, -0.0005639800000000, -0.0000505000000000 ] - [ 0.0006272000000000, 0.0017733000000000, -0.0000019900000000 ] - [ -0.0004299600000000, -0.0000089500000000, 0.0000587000000000 ] - [ 0.0010999600000000, -0.0024135100000000, 0.0004910200000000 ] - [ -0.0008610500000000, 0.0007343600000000, -0.0002785600000000 ] - [ -0.0024248400000000, 0.0027739200000000, 0.0002746600000000 ] - [ 0.0000010800000000, 0.0001016200000000, -0.0001236400000000 ] - [ -0.0121798100000000, 0.0048578300000000, -0.0044638900000000 ] - [ -0.0022170000000000, 0.0005309000000000, 0.0000729800000000 ] - [ -0.0000815900000000, 0.0004003600000000, 0.0001967700000000 ] - [ -0.0020059200000000, 0.0013927600000000, -0.0000727100000000 ] - [ -0.0067974300000000, 0.0079243500000000, 0.0078973400000000 ] - [ -0.0006025600000000, 0.0000229300000000, -0.0006233800000000 ] - [ 0.0020555900000000, 0.0012458000000000, 0.0001532600000000 ] - [ 0.0000652800000000, 0.0009251600000000, -0.0004116500000000 ] - [ 0.0013627700000000, -0.0007332000000000, -0.0000477300000000 ] - [ 0.0002274700000000, -0.0008248700000000, -0.0002188600000000 ] - [ 0.0014643100000000, -0.0010839800000000, -0.0002109100000000 ] - [ -0.0001719500000000, -0.0002640700000000, -0.0002700900000000 ] - [ -0.0007149800000000, -0.0008878400000000, 0.0003936800000000 ] - [ -0.0018235700000000, -0.0011886000000000, 0.0001535000000000 ] - [ -0.0000406000000000, -0.0003311500000000, 0.0004920300000000 ] - [ -0.0013044100000000, -0.0006832800000000, 0.0002545500000000 ] - [ 0.0001834800000000, 0.0007339700000000, 0.0054981700000000 ] - [ -0.0001391200000000, -0.0005237700000000, 0.0006446700000000 ] - [ 0.0005935600000000, -0.0007332700000000, 0.0009911800000000 ] - [ -0.0002130600000000, -0.0002980800000000, 0.0006766600000000 ] - [ 0.0003332500000000, -0.0011203900000000, -0.0002765900000000 ] - [ -0.0004178400000000, -0.0005950300000000, -0.0006562300000000 ] - [ 0.0002074300000000, 0.0000743300000000, -0.0005895600000000 ] - [ -0.0002588800000000, -0.0003563300000000, -0.0006476100000000 ] - [ 0.0001956200000000, 0.0064080000000000, -0.0016669800000000 ] - [ -0.0003393900000000, 0.0003732600000000, -0.0006608800000000 ] - [ 0.0011472900000000, -0.0006071800000000, -0.0005503500000000 ] - [ -0.0006942800000000, 0.0007316800000000, -0.0007497900000000 ] - [ -0.0060631200000000, 0.0016805100000000, -0.0043644200000000 ] - [ -0.0005363900000000, 0.0001749500000000, 0.0006486000000000 ] - [ 0.0004226400000000, 0.0011007100000000, 0.0006912000000000 ] - [ -0.0001444400000000, 0.0005173200000000, 0.0007075100000000 ] - [ 0.0000178200000000, 0.0009898100000000, 0.0000822300000000 ] - [ 0.0009376000000000, 0.0000565300000000, 0.0001719800000000 ] - [ 0.0003850600000000, -0.0006419800000000, -0.0004118200000000 ] - [ 0.0003021700000000, 0.0001286200000000, 0.0001424200000000 ] - [ -0.0001533500000000, 0.0011228800000000, -0.0010755700000000 ] - [ 0.0004603200000000, 0.0000213800000000, -0.0000102600000000 ] - [ -0.0000081500000000, -0.0009748900000000, -0.0004053100000000 ] - [ -0.0001069900000000, 0.0001349800000000, -0.0001357000000000 ] - [ 0.0001220600000000, 0.0017209200000000, 0.0005917100000000 ] - [ 0.0016401100000000, -0.0006593100000000, -0.0001607900000000 ] - [ -0.0000293500000000, -0.0019258900000000, 0.0005697800000000 ] - [ -0.0000215500000000, 0.0000958500000000, -0.0002073300000000 ] - [ -0.0025054800000000, 0.0008404800000000, 0.0004752600000000 ] - [ 0.0022596000000000, 0.0003636600000000, 0.0001804300000000 ] - [ 0.0005084700000000, -0.0013895200000000, 0.0005208500000000 ] - [ 0.0003907300000000, -0.0001792200000000, 0.0001447500000000 ] - [ -0.0049555800000000, -0.0000320300000000, 0.0033386400000000 ] - [ 0.0017597400000000, 0.0012339200000000, -0.0002618400000000 ] - [ -0.0021642100000000, -0.0007981300000000, 0.0004192400000000 ] - [ 0.0014969800000000, 0.0001145900000000, -0.0001054000000000 ] - [ -0.0025784800000000, 0.0016395000000000, -0.0006018000000000 ] - [ 0.0017765000000000, 0.0010526000000000, -0.0002714800000000 ] - [ -0.0025408500000000, -0.0002574300000000, -0.0005921600000000 ] - [ 0.0015874300000000, -0.0000571000000000, -0.0004222000000000 ] - [ -0.0004806700000000, 0.0012596800000000, 0.0088856100000000 ] - [ 0.0027650200000000, 0.0001025100000000, -0.0001841500000000 ] - [ -0.0024997500000000, -0.0027473100000000, 0.0007793800000000 ] - [ 0.0017637500000000, -0.0011436700000000, -0.0001050700000000 ] - [ -0.0099513100000000, -0.0112058800000000, -0.0042974000000000 ] - [ 0.0019436200000000, -0.0000064200000000, 0.0000743000000000 ] - [ -0.0051343000000000, -0.0005901700000000, -0.0000891000000000 ] - [ 0.0020442300000000, -0.0013397000000000, 0.0000735300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0119457700000000, -0.0407463300000000, -0.0204697000000000 ] - [ -0.0002218600000000, 0.0007519800000000, 0.0000017800000000 ] - [ -0.0002223600000000, 0.0030095000000000, 0.0007985100000000 ] - [ -0.0004365100000000, 0.0014206900000000, 0.0003895200000000 ] - [ 0.0019354200000000, 0.0039234200000000, -0.0028860700000000 ] - [ -0.0003935000000000, 0.0005564800000000, 0.0001014600000000 ] - [ 0.0040389700000000, 0.0039119100000000, -0.0025697800000000 ] - [ -0.0007534100000000, 0.0005553100000000, 0.0000680800000000 ] - [ 0.0026868700000000, -0.0039451300000000, 0.0003990600000000 ] - [ -0.0004391600000000, -0.0007882100000000, 0.0000103700000000 ] - [ -0.0005510100000000, 0.0004868500000000, 0.0005182900000000 ] - [ -0.0005957900000000, -0.0002962800000000, 0.0002555300000000 ] - [ 0.0016713100000000, 0.0007590600000000, 0.0028318700000000 ] - [ -0.0003205900000000, -0.0012877900000000, 0.0003252800000000 ] - [ 0.0010671600000000, -0.0000094400000000, -0.0004214500000000 ] - [ -0.0002219500000000, -0.0009167600000000, 0.0000713600000000 ] - [ 0.0000114600000000, -0.0029150500000000, 0.0025683600000000 ] - [ -0.0005952500000000, -0.0006937700000000, 0.0002191700000000 ] - [ 0.0010053200000000, 0.0015742400000000, -0.0004113800000000 ] - [ 0.0002279700000000, 0.0000701300000000, -0.0000809600000000 ] - [ 0.0004804400000000, -0.0006718700000000, 0.0001766700000000 ] - [ -0.0012480400000000, 0.0004082500000000, 0.0004087200000000 ] - [ -0.0003232000000000, 0.0002534700000000, 0.0001963900000000 ] - [ -0.0002020800000000, -0.0000129800000000, 0.0000256400000000 ] - [ -0.0024636400000000, -0.0073143500000000, 0.0001588800000000 ] - [ -0.0008522600000000, -0.0006312700000000, 0.0000160900000000 ] - [ 0.0010008200000000, 0.0022646800000000, -0.0000557300000000 ] - [ -0.0002639000000000, 0.0003204100000000, 0.0000455300000000 ] - [ 0.0009186200000000, 0.0010744100000000, -0.0011272800000000 ] - [ -0.0006663900000000, 0.0006236100000000, -0.0002698500000000 ] - [ -0.0089829200000000, 0.0109793500000000, -0.0001921900000000 ] - [ 0.0002597100000000, -0.0000396800000000, -0.0001443000000000 ] - [ -0.0113407600000000, 0.0050427700000000, -0.0042750000000000 ] - [ -0.0003822100000000, 0.0005521100000000, 0.0002560200000000 ] - [ 0.0000787500000000, 0.0005938300000000, 0.0000831400000000 ] - [ -0.0024425900000000, 0.0014070300000000, -0.0002384900000000 ] - [ -0.0032983000000000, -0.0026703100000000, -0.0009425800000000 ] - [ -0.0001097100000000, 0.0001119000000000, -0.0005813100000000 ] - [ 0.0024149600000000, 0.0023442700000000, 0.0000981400000000 ] - [ 0.0003878100000000, 0.0010404300000000, -0.0003333700000000 ] - [ 0.0006431300000000, -0.0011210100000000, 0.0002474800000000 ] - [ 0.0006039800000000, -0.0009379400000000, -0.0001495400000000 ] - [ 0.0009881500000000, -0.0005125100000000, -0.0002085700000000 ] - [ 0.0000542200000000, -0.0002925200000000, -0.0002645300000000 ] - [ -0.0009818800000000, -0.0010962300000000, 0.0003744800000000 ] - [ -0.0013247100000000, -0.0011685100000000, 0.0002282400000000 ] - [ 0.0004168300000000, -0.0000761600000000, 0.0006335100000000 ] - [ -0.0015207000000000, -0.0005534400000000, 0.0003410800000000 ] - [ 0.0001786500000000, 0.0006069700000000, 0.0048653200000000 ] - [ 0.0000175200000000, -0.0004787400000000, 0.0007108700000000 ] - [ 0.0006900300000000, -0.0006587500000000, 0.0010538700000000 ] - [ -0.0002163000000000, -0.0003602600000000, 0.0007402600000000 ] - [ -0.0005223000000000, -0.0034709300000000, 0.0022280000000000 ] - [ -0.0002975400000000, -0.0006213800000000, -0.0006512200000000 ] - [ 0.0002901200000000, 0.0007561800000000, -0.0004433600000000 ] - [ -0.0001750500000000, -0.0002827900000000, -0.0006499400000000 ] - [ -0.0041132200000000, 0.0110928100000000, -0.0023768200000000 ] - [ -0.0002244100000000, 0.0003148000000000, -0.0006685300000000 ] - [ 0.0005760800000000, 0.0035261200000000, -0.0011780100000000 ] - [ -0.0005506400000000, 0.0007574900000000, -0.0007449700000000 ] - [ -0.0010617300000000, -0.0024299800000000, -0.0023761200000000 ] - [ -0.0002407800000000, 0.0001065300000000, 0.0005159700000000 ] - [ 0.0004369100000000, 0.0016015900000000, 0.0008015900000000 ] - [ -0.0001359900000000, 0.0006438200000000, 0.0007040500000000 ] - [ 0.0000563700000000, 0.0010757600000000, 0.0002580900000000 ] - [ 0.0007559000000000, 0.0000957600000000, 0.0001591100000000 ] - [ 0.0008234600000000, -0.0012849400000000, -0.0013690600000000 ] - [ 0.0000776200000000, 0.0001161700000000, 0.0001276500000000 ] - [ -0.0003908200000000, 0.0012334200000000, -0.0009760700000000 ] - [ 0.0003512500000000, 0.0004766900000000, -0.0002599200000000 ] - [ -0.0000622600000000, -0.0010604800000000, -0.0003531700000000 ] - [ -0.0002220700000000, -0.0001667700000000, -0.0001819700000000 ] - [ -0.0009669900000000, 0.0014682500000000, 0.0003961700000000 ] - [ 0.0014416700000000, 0.0001394400000000, 0.0000624100000000 ] - [ 0.0000741800000000, -0.0019770600000000, 0.0004856000000000 ] - [ -0.0004156400000000, -0.0003949500000000, -0.0001324200000000 ] - [ -0.0008248200000000, 0.0027987600000000, 0.0003354400000000 ] - [ 0.0018877800000000, 0.0003882400000000, 0.0002014100000000 ] - [ 0.0009727200000000, -0.0025260700000000, 0.0011751600000000 ] - [ 0.0001639700000000, -0.0002326100000000, 0.0001419000000000 ] - [ -0.0011856800000000, 0.0070373700000000, -0.0022236900000000 ] - [ 0.0010615000000000, 0.0014697200000000, -0.0002916800000000 ] - [ -0.0011400900000000, -0.0027697000000000, -0.0004145400000000 ] - [ 0.0010171300000000, -0.0001533700000000, -0.0000167400000000 ] - [ -0.0013716000000000, 0.0024594700000000, -0.0006400200000000 ] - [ 0.0008437900000000, 0.0010209400000000, -0.0001296500000000 ] - [ -0.0034153300000000, -0.0017069900000000, -0.0013971700000000 ] - [ 0.0017866500000000, -0.0000710600000000, -0.0005165100000000 ] - [ 0.0098963600000000, 0.0065990100000000, 0.0073871200000000 ] - [ 0.0006929100000000, 0.0003840500000000, -0.0001310600000000 ] - [ -0.0028932400000000, -0.0052890200000000, 0.0015645100000000 ] - [ 0.0018350600000000, -0.0014870300000000, -0.0000177000000000 ] - [ 0.0032430800000000, 0.0142305200000000, 0.0161365500000000 ] - [ 0.0011819000000000, 0.0002622700000000, 0.0002257200000000 ] - [ -0.0029412100000000, -0.0070134900000000, 0.0015584100000000 ] - [ 0.0013320600000000, -0.0015643400000000, 0.0000785700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0112079300000000, 0.0413919100000000, 0.0197804000000000 ] - [ 0.0004682600000000, 0.0008897600000000, 0.0000851200000000 ] - [ 0.0004722900000000, -0.0013681800000000, -0.0007106700000000 ] - [ 0.0006814500000000, 0.0002235300000000, -0.0003013100000000 ] - [ -0.0021518500000000, -0.0022701200000000, 0.0027670300000000 ] - [ 0.0001469200000000, 0.0010877800000000, -0.0001889500000000 ] - [ -0.0043123100000000, -0.0022820200000000, 0.0025027900000000 ] - [ 0.0005061300000000, 0.0010860800000000, -0.0001540200000000 ] - [ -0.0029395500000000, 0.0023084100000000, -0.0004864600000000 ] - [ 0.0001928700000000, -0.0008545600000000, -0.0000967400000000 ] - [ 0.0003059100000000, -0.0021319600000000, -0.0006070100000000 ] - [ 0.0003484600000000, -0.0013459800000000, -0.0003420100000000 ] - [ -0.0014293200000000, -0.0024187800000000, -0.0027181200000000 ] - [ 0.0005654100000000, -0.0003565400000000, -0.0002376100000000 ] - [ -0.0008184100000000, -0.0016280800000000, 0.0005066300000000 ] - [ 0.0004679800000000, -0.0007271700000000, 0.0000160300000000 ] - [ 0.0004399900000000, 0.0028028300000000, -0.0027094900000000 ] - [ 0.0010440800000000, 0.0005730600000000, -0.0003853500000000 ] - [ -0.0005566300000000, -0.0016918500000000, 0.0002432900000000 ] - [ 0.0002205400000000, -0.0001898400000000, -0.0000853100000000 ] - [ -0.0009277200000000, 0.0005476500000000, -0.0000117800000000 ] - [ 0.0007949600000000, -0.0005245200000000, -0.0002426200000000 ] - [ -0.0001282400000000, -0.0003719200000000, -0.0000300900000000 ] - [ -0.0002513800000000, -0.0001032000000000, 0.0001404400000000 ] - [ 0.0020336600000000, 0.0074871700000000, 0.0000093200000000 ] - [ 0.0004054200000000, 0.0007499400000000, 0.0001506200000000 ] - [ -0.0014496400000000, -0.0021454500000000, 0.0002221400000000 ] - [ -0.0001896100000000, -0.0002050900000000, 0.0001215300000000 ] - [ -0.0004783200000000, -0.0009522000000000, 0.0009689500000000 ] - [ 0.0011164900000000, -0.0005034700000000, 0.0001042500000000 ] - [ 0.0094158700000000, -0.0108286300000000, 0.0000166500000000 ] - [ 0.0001911300000000, 0.0001578200000000, -0.0000211900000000 ] - [ 0.0097218400000000, -0.0035843200000000, 0.0047820300000000 ] - [ -0.0012683300000000, 0.0009387000000000, 0.0002298000000000 ] - [ -0.0017189800000000, 0.0008896900000000, 0.0004079900000000 ] - [ 0.0007903800000000, 0.0000804100000000, 0.0007254100000000 ] - [ 0.0049619700000000, 0.0041137100000000, 0.0004250400000000 ] - [ 0.0017533500000000, 0.0013756500000000, 0.0000930100000000 ] - [ -0.0007640900000000, -0.0008530000000000, -0.0005822600000000 ] - [ 0.0012570100000000, 0.0004479700000000, -0.0001554100000000 ] - [ 0.0010221000000000, -0.0003765500000000, -0.0007295700000000 ] - [ 0.0010360500000000, -0.0005473300000000, -0.0003410800000000 ] - [ 0.0006565200000000, -0.0009730200000000, -0.0002796400000000 ] - [ 0.0015966400000000, -0.0011970700000000, -0.0002217700000000 ] - [ -0.0006575000000000, -0.0003892900000000, 0.0001155600000000 ] - [ -0.0003238700000000, -0.0003218900000000, 0.0002595700000000 ] - [ -0.0020626700000000, -0.0014134900000000, -0.0001453300000000 ] - [ -0.0001283500000000, -0.0009374000000000, 0.0001466100000000 ] - [ -0.0000216400000000, -0.0014944500000000, -0.0035185500000000 ] - [ 0.0001430800000000, -0.0004082900000000, 0.0006369200000000 ] - [ -0.0005311000000000, -0.0002292600000000, 0.0002919000000000 ] - [ 0.0003756200000000, -0.0005239100000000, 0.0006037900000000 ] - [ 0.0003603600000000, 0.0025823200000000, -0.0035414800000000 ] - [ 0.0001360500000000, -0.0002657300000000, -0.0006953000000000 ] - [ -0.0004519900000000, -0.0016444800000000, -0.0009045700000000 ] - [ 0.0000142600000000, -0.0006002100000000, -0.0006947400000000 ] - [ 0.0038109700000000, -0.0098914600000000, 0.0010047100000000 ] - [ 0.0000642700000000, 0.0005694600000000, -0.0006765600000000 ] - [ -0.0007441600000000, -0.0026736400000000, -0.0001666200000000 ] - [ 0.0003900800000000, 0.0001282800000000, -0.0006009000000000 ] - [ 0.0011758800000000, 0.0033483600000000, 0.0037129800000000 ] - [ 0.0004000600000000, 0.0007731200000000, 0.0008253000000000 ] - [ -0.0002764900000000, -0.0007188600000000, 0.0005441300000000 ] - [ 0.0002942300000000, 0.0002367400000000, 0.0006391300000000 ] - [ 0.0003797300000000, -0.0008704300000000, 0.0000450900000000 ] - [ -0.0003193100000000, 0.0001136100000000, 0.0001482600000000 ] - [ -0.0003867700000000, 0.0014959700000000, 0.0016735800000000 ] - [ 0.0003581000000000, 0.0000928700000000, 0.0001793500000000 ] - [ -0.0000442700000000, -0.0010210800000000, 0.0006699800000000 ] - [ -0.0007901500000000, -0.0002633500000000, -0.0000469600000000 ] - [ -0.0003751400000000, 0.0012728000000000, 0.0000474100000000 ] - [ -0.0002128200000000, 0.0003787200000000, -0.0001236700000000 ] - [ 0.0005344800000000, -0.0016741300000000, -0.0007032200000000 ] - [ -0.0018810200000000, -0.0003460900000000, -0.0003682700000000 ] - [ -0.0005122900000000, 0.0017670000000000, -0.0007934900000000 ] - [ -0.0000191900000000, 0.0001842900000000, -0.0001735500000000 ] - [ 0.0011456200000000, -0.0030822800000000, -0.0000396500000000 ] - [ -0.0014527100000000, -0.0006020300000000, 0.0001050100000000 ] - [ -0.0005313200000000, 0.0023074200000000, -0.0008705500000000 ] - [ 0.0002711100000000, 0.0000193700000000, 0.0001651800000000 ] - [ 0.0010408800000000, -0.0058472200000000, 0.0023310400000000 ] - [ -0.0011956500000000, -0.0003134800000000, 0.0004791700000000 ] - [ 0.0010046900000000, 0.0039217800000000, 0.0006092300000000 ] - [ -0.0011519700000000, 0.0013072400000000, 0.0002035600000000 ] - [ 0.0015007500000000, -0.0013142000000000, 0.0004561500000000 ] - [ -0.0007102300000000, 0.0001324300000000, -0.0000578500000000 ] - [ 0.0035478600000000, 0.0028653800000000, 0.0012091700000000 ] - [ -0.0016517500000000, 0.0012278600000000, 0.0003301600000000 ] - [ -0.0096252000000000, -0.0079402200000000, -0.0076356800000000 ] - [ -0.0005623600000000, -0.0015423800000000, -0.0000534700000000 ] - [ 0.0030179900000000, 0.0041400300000000, -0.0017537900000000 ] - [ -0.0016981300000000, 0.0003311700000000, -0.0001682700000000 ] - [ -0.0036923100000000, -0.0144479400000000, -0.0150392300000000 ] - [ -0.0013156500000000, -0.0014154200000000, -0.0000393100000000 ] - [ 0.0028050300000000, 0.0058681800000000, -0.0013896400000000 ] - [ -0.0014664500000000, 0.0004070200000000, 0.0001077000000000 ]- atom: 1 displacement: [ -0.0000313680234493, 0.0000000000000000, 0.0099999508022342 ] forces: - [ 0.0030342800000000, -0.0197432600000000, -0.0338286200000000 ] - [ -0.0000711900000000, 0.0007804000000000, 0.0000040800000000 ] - [ 0.0001578800000000, 0.0015803200000000, 0.0000221400000000 ] - [ -0.0002098200000000, 0.0011700600000000, 0.0002345800000000 ] - [ 0.0025179900000000, 0.0033721600000000, -0.0036526300000000 ] - [ -0.0003007300000000, 0.0007080700000000, 0.0000104100000000 ] - [ 0.0049010800000000, 0.0036544000000000, -0.0036487300000000 ] - [ -0.0005017000000000, 0.0006744800000000, 0.0000100000000000 ] - [ -0.0003903800000000, -0.0004004900000000, 0.0010774800000000 ] - [ -0.0002454000000000, -0.0007661400000000, 0.0000101400000000 ] - [ -0.0002650700000000, -0.0002544500000000, 0.0002042400000000 ] - [ -0.0004029800000000, -0.0005193400000000, 0.0001354800000000 ] - [ -0.0002584300000000, -0.0035699900000000, 0.0063105700000000 ] - [ -0.0001497800000000, -0.0011054500000000, 0.0002313700000000 ] - [ 0.0005172500000000, -0.0003523700000000, 0.0000874200000000 ] - [ -0.0000409000000000, -0.0008508800000000, 0.0000510400000000 ] - [ 0.0019598500000000, -0.0005825600000000, 0.0035574400000000 ] - [ -0.0002524300000000, -0.0004115500000000, 0.0000942300000000 ] - [ 0.0005672200000000, 0.0004179400000000, -0.0001958500000000 ] - [ 0.0002062400000000, -0.0000022300000000, -0.0000936500000000 ] - [ 0.0000945400000000, -0.0001580900000000, 0.0003633200000000 ] - [ -0.0008451000000000, 0.0001605300000000, 0.0004830600000000 ] - [ -0.0003244500000000, 0.0001504100000000, 0.0001652300000000 ] - [ -0.0003203600000000, 0.0000582800000000, 0.0001343300000000 ] - [ -0.0013061800000000, -0.0024131700000000, -0.0000762100000000 ] - [ -0.0003744700000000, -0.0002021000000000, -0.0001780400000000 ] - [ 0.0005175100000000, 0.0013080900000000, 0.0000017400000000 ] - [ -0.0002794200000000, 0.0001799300000000, 0.0000166800000000 ] - [ 0.0002174500000000, -0.0010320100000000, -0.0000796400000000 ] - [ -0.0002559300000000, 0.0003581700000000, -0.0002020800000000 ] - [ -0.0104642200000000, 0.0117244600000000, 0.0003913600000000 ] - [ 0.0002361100000000, 0.0000243300000000, -0.0001024100000000 ] - [ -0.0078103900000000, 0.0032273600000000, -0.0024721100000000 ] - [ -0.0007830700000000, 0.0007091100000000, 0.0000852400000000 ] - [ -0.0001919100000000, 0.0007000600000000, 0.0000374000000000 ] - [ -0.0017770900000000, 0.0010938100000000, -0.0002488600000000 ] - [ -0.0035909500000000, 0.0005219800000000, -0.0014156500000000 ] - [ 0.0004058500000000, 0.0004271000000000, -0.0004512400000000 ] - [ 0.0016507200000000, 0.0015879900000000, -0.0001585700000000 ] - [ 0.0005787900000000, 0.0009063600000000, -0.0002966800000000 ] - [ 0.0038352000000000, -0.0022066700000000, 0.0008873400000000 ] - [ 0.0006346800000000, -0.0008379000000000, -0.0001885200000000 ] - [ 0.0008700500000000, -0.0004817300000000, -0.0001670300000000 ] - [ 0.0003924000000000, -0.0004973000000000, -0.0002528100000000 ] - [ -0.0008784900000000, -0.0008013400000000, 0.0005563700000000 ] - [ -0.0008363100000000, -0.0008247600000000, 0.0004591400000000 ] - [ -0.0004362600000000, -0.0005217300000000, 0.0003731100000000 ] - [ -0.0012886800000000, -0.0006848100000000, 0.0004198900000000 ] - [ 0.0002273800000000, 0.0000156300000000, 0.0031163000000000 ] - [ 0.0000731000000000, -0.0004355100000000, 0.0007012700000000 ] - [ 0.0001675600000000, -0.0010026900000000, 0.0011212400000000 ] - [ 0.0000168100000000, -0.0004942500000000, 0.0007918800000000 ] - [ 0.0005490500000000, -0.0003957400000000, 0.0051603900000000 ] - [ -0.0001928000000000, -0.0005381400000000, -0.0006300800000000 ] - [ 0.0001650700000000, 0.0001894200000000, -0.0002452900000000 ] - [ -0.0001448400000000, -0.0003580400000000, -0.0006554600000000 ] - [ 0.0010641800000000, -0.0029419200000000, -0.0063095900000000 ] - [ -0.0001627200000000, 0.0003754600000000, -0.0006972600000000 ] - [ 0.0002469000000000, 0.0015011500000000, -0.0014700000000000 ] - [ -0.0003543400000000, 0.0006277800000000, -0.0007307300000000 ] - [ 0.0054207400000000, -0.0025095000000000, -0.0008403700000000 ] - [ -0.0001677000000000, 0.0002239800000000, 0.0005304000000000 ] - [ 0.0003149600000000, 0.0009981300000000, 0.0007722700000000 ] - [ -0.0001058300000000, 0.0005281900000000, 0.0006545400000000 ] - [ 0.0000993400000000, 0.0000928600000000, -0.0007162600000000 ] - [ 0.0004881200000000, 0.0001050600000000, 0.0001231800000000 ] - [ 0.0004436200000000, -0.0003603300000000, -0.0017533300000000 ] - [ 0.0001962100000000, 0.0001042200000000, 0.0001196600000000 ] - [ 0.0000912100000000, 0.0007012900000000, -0.0007584400000000 ] - [ -0.0005039900000000, 0.0002813900000000, -0.0003354200000000 ] - [ -0.0001446800000000, -0.0004708600000000, -0.0002522600000000 ] - [ -0.0002307100000000, -0.0000626200000000, -0.0001904700000000 ] - [ -0.0007485400000000, 0.0004917700000000, 0.0003704600000000 ] - [ 0.0010801500000000, 0.0000643700000000, 0.0001298100000000 ] - [ -0.0001887400000000, -0.0010879100000000, 0.0002305300000000 ] - [ -0.0001212100000000, -0.0002587000000000, -0.0001099000000000 ] - [ -0.0009386300000000, 0.0000801900000000, 0.0025365200000000 ] - [ 0.0011626100000000, 0.0001978000000000, 0.0002381400000000 ] - [ 0.0004019000000000, -0.0010524700000000, 0.0015598300000000 ] - [ 0.0001897300000000, -0.0001784500000000, 0.0001598300000000 ] - [ -0.0023785600000000, 0.0053928100000000, -0.0099979500000000 ] - [ 0.0005872200000000, 0.0010756500000000, -0.0001406400000000 ] - [ -0.0005270100000000, -0.0010122600000000, -0.0002911900000000 ] - [ 0.0005669900000000, 0.0001627100000000, 0.0000397800000000 ] - [ -0.0004271700000000, 0.0007372700000000, -0.0024535400000000 ] - [ 0.0003811400000000, 0.0006045800000000, -0.0002764000000000 ] - [ -0.0009840600000000, -0.0001312800000000, -0.0016137200000000 ] - [ 0.0011170000000000, 0.0003122000000000, -0.0005563700000000 ] - [ 0.0046733400000000, 0.0003816900000000, 0.0114104700000000 ] - [ 0.0004502500000000, -0.0002476000000000, 0.0001298900000000 ] - [ -0.0016823300000000, -0.0031691100000000, 0.0016326000000000 ] - [ 0.0011374000000000, -0.0010405300000000, 0.0000793200000000 ] - [ 0.0012107800000000, 0.0094774500000000, 0.0294371100000000 ] - [ 0.0005920700000000, -0.0001464700000000, 0.0001661900000000 ] - [ -0.0022901300000000, -0.0019699200000000, 0.0010138200000000 ] - [ 0.0007361300000000, -0.0011342100000000, 0.0000937300000000 ]- atom: 1 displacement: [ 0.0000313680234493, 0.0000000000000000, -0.0099999508022342 ] forces: - [ -0.0025487900000000, 0.0205747800000000, 0.0335551400000000 ] - [ 0.0003159400000000, 0.0008615100000000, 0.0000819300000000 ] - [ 0.0000874700000000, 0.0000686900000000, 0.0000668700000000 ] - [ 0.0004532000000000, 0.0004759700000000, -0.0001463500000000 ] - [ -0.0027615400000000, -0.0017271300000000, 0.0035571500000000 ] - [ 0.0000535000000000, 0.0009341100000000, -0.0000975500000000 ] - [ -0.0051218500000000, -0.0020118200000000, 0.0035460600000000 ] - [ 0.0002531700000000, 0.0009663300000000, -0.0000967600000000 ] - [ 0.0001684700000000, -0.0012687000000000, -0.0011747500000000 ] - [ -0.0000027400000000, -0.0008757100000000, -0.0000967900000000 ] - [ 0.0000174400000000, -0.0013823700000000, -0.0002885400000000 ] - [ 0.0001542700000000, -0.0011198000000000, -0.0002208400000000 ] - [ 0.0005286200000000, 0.0019701500000000, -0.0062597800000000 ] - [ 0.0003928300000000, -0.0005404000000000, -0.0001435700000000 ] - [ -0.0002654800000000, -0.0012871400000000, -0.0000043700000000 ] - [ 0.0002846000000000, -0.0007938900000000, 0.0000359700000000 ] - [ -0.0015588500000000, 0.0004498400000000, -0.0037674500000000 ] - [ 0.0006970200000000, 0.0002870800000000, -0.0002592100000000 ] - [ -0.0001159600000000, -0.0005320000000000, 0.0000307700000000 ] - [ 0.0002418800000000, -0.0001178100000000, -0.0000727000000000 ] - [ -0.0005374300000000, 0.0000293100000000, -0.0002010000000000 ] - [ 0.0003873600000000, -0.0002747600000000, -0.0003183700000000 ] - [ -0.0001229800000000, -0.0002722100000000, 0.0000000900000000 ] - [ -0.0001315300000000, -0.0001757200000000, 0.0000295900000000 ] - [ 0.0008482500000000, 0.0025071300000000, 0.0002389300000000 ] - [ -0.0000764700000000, 0.0003181900000000, 0.0003458000000000 ] - [ -0.0009624500000000, -0.0011814200000000, 0.0001634900000000 ] - [ -0.0001723000000000, -0.0000627900000000, 0.0001495300000000 ] - [ 0.0002305900000000, 0.0011581400000000, -0.0000924300000000 ] - [ 0.0007023500000000, -0.0002352300000000, 0.0000349700000000 ] - [ 0.0108345500000000, -0.0115317100000000, -0.0005396100000000 ] - [ 0.0002145100000000, 0.0000946600000000, -0.0000642800000000 ] - [ 0.0061447500000000, -0.0017342900000000, 0.0029371700000000 ] - [ -0.0008636800000000, 0.0007795800000000, 0.0004011600000000 ] - [ -0.0014444800000000, 0.0007829000000000, 0.0004510300000000 ] - [ 0.0001252800000000, 0.0003952000000000, 0.0007337600000000 ] - [ 0.0052278600000000, 0.0009631400000000, 0.0009036300000000 ] - [ 0.0012330000000000, 0.0010576100000000, -0.0000401100000000 ] - [ 0.0000067900000000, -0.0000914700000000, -0.0003274700000000 ] - [ 0.0010626900000000, 0.0005825100000000, -0.0001939200000000 ] - [ -0.0022264700000000, 0.0007305700000000, -0.0013758900000000 ] - [ 0.0010026600000000, -0.0006468500000000, -0.0003025200000000 ] - [ 0.0007768200000000, -0.0010057800000000, -0.0003210200000000 ] - [ 0.0012538100000000, -0.0009891000000000, -0.0002345100000000 ] - [ -0.0007566000000000, -0.0006851400000000, -0.0000650600000000 ] - [ -0.0008185700000000, -0.0006687700000000, 0.0000245600000000 ] - [ -0.0011974800000000, -0.0009617100000000, 0.0001182400000000 ] - [ -0.0003626300000000, -0.0008033500000000, 0.0000670300000000 ] - [ -0.0000681900000000, -0.0008950500000000, -0.0017389700000000 ] - [ 0.0000873300000000, -0.0004525500000000, 0.0006467300000000 ] - [ -0.0000020500000000, 0.0001169900000000, 0.0002273800000000 ] - [ 0.0001407000000000, -0.0003887800000000, 0.0005521000000000 ] - [ -0.0007139400000000, -0.0005120800000000, -0.0065630900000000 ] - [ 0.0000305500000000, -0.0003503500000000, -0.0007182800000000 ] - [ -0.0003248600000000, -0.0010716500000000, -0.0011031800000000 ] - [ -0.0000160500000000, -0.0005247900000000, -0.0006909000000000 ] - [ -0.0012123500000000, 0.0037780700000000, 0.0049309300000000 ] - [ 0.0000020200000000, 0.0005095300000000, -0.0006496300000000 ] - [ -0.0004045300000000, -0.0006031400000000, 0.0001248800000000 ] - [ 0.0001918500000000, 0.0002603200000000, -0.0006172500000000 ] - [ -0.0052224600000000, 0.0034031100000000, 0.0021866800000000 ] - [ 0.0003265800000000, 0.0006554200000000, 0.0008103900000000 ] - [ -0.0001536800000000, -0.0001100600000000, 0.0005698400000000 ] - [ 0.0002645000000000, 0.0003541700000000, 0.0006879000000000 ] - [ 0.0003396100000000, 0.0001234900000000, 0.0010280100000000 ] - [ -0.0000475200000000, 0.0001044800000000, 0.0001835600000000 ] - [ -0.0000016800000000, 0.0005608600000000, 0.0020562100000000 ] - [ 0.0002398900000000, 0.0001056000000000, 0.0001866500000000 ] - [ -0.0005312400000000, -0.0004835500000000, 0.0004453400000000 ] - [ 0.0000740100000000, -0.0000666700000000, 0.0000272600000000 ] - [ -0.0002932500000000, 0.0006778900000000, -0.0000570700000000 ] - [ -0.0002052800000000, 0.0002744300000000, -0.0001171900000000 ] - [ 0.0003150500000000, -0.0006927300000000, -0.0006736400000000 ] - [ -0.0015164200000000, -0.0002706200000000, -0.0004355900000000 ] - [ -0.0002485900000000, 0.0008704700000000, -0.0005354400000000 ] - [ -0.0003168000000000, 0.0000476300000000, -0.0001970000000000 ] - [ 0.0013682400000000, -0.0002958200000000, -0.0022415900000000 ] - [ -0.0007180000000000, -0.0004095400000000, 0.0000685100000000 ] - [ 0.0000341000000000, 0.0008372000000000, -0.0012502100000000 ] - [ 0.0002482700000000, -0.0000350700000000, 0.0001470900000000 ] - [ 0.0022683600000000, -0.0042413700000000, 0.0102366600000000 ] - [ -0.0007134700000000, 0.0000846700000000, 0.0003249200000000 ] - [ 0.0003887500000000, 0.0021565700000000, 0.0004731500000000 ] - [ -0.0006949700000000, 0.0009891800000000, 0.0001447500000000 ] - [ 0.0005406000000000, 0.0004361300000000, 0.0022684600000000 ] - [ -0.0002401900000000, 0.0005541700000000, 0.0000894700000000 ] - [ 0.0010892800000000, 0.0012740200000000, 0.0014238800000000 ] - [ -0.0009731000000000, 0.0008404700000000, 0.0003688500000000 ] - [ -0.0044496800000000, -0.0015649800000000, -0.0116211100000000 ] - [ -0.0003153300000000, -0.0009048000000000, -0.0003177700000000 ] - [ 0.0018091000000000, 0.0020074400000000, -0.0018194500000000 ] - [ -0.0009975600000000, -0.0001182200000000, -0.0002663100000000 ] - [ -0.0015924900000000, -0.0097961000000000, -0.0286571700000000 ] - [ -0.0007187400000000, -0.0010038000000000, 0.0000202000000000 ] - [ 0.0021446100000000, 0.0007851600000000, -0.0008191300000000 ] - [ -0.0008624500000000, -0.0000261300000000, 0.0000921900000000 ]- atom: 17 displacement: [ 0.0099997061045471, 0.0000000000000000, 0.0000766669595341 ] forces: - [ 0.0002616400000000, 0.0006286300000000, 0.0018373800000000 ] - [ 0.0011394400000000, 0.0000059200000000, -0.0004257500000000 ] - [ -0.0004756700000000, 0.0016019500000000, 0.0003829500000000 ] - [ 0.0003286500000000, 0.0008254500000000, 0.0000263400000000 ] - [ -0.0006921100000000, 0.0001176600000000, 0.0002726800000000 ] - [ 0.0007250600000000, 0.0018367100000000, -0.0006514900000000 ] - [ -0.0000589200000000, 0.0009171200000000, -0.0001427000000000 ] - [ 0.0001150200000000, 0.0007977200000000, -0.0001361400000000 ] - [ 0.0012430400000000, -0.0030464000000000, -0.0011122000000000 ] - [ 0.0010803000000000, -0.0014490300000000, -0.0001905200000000 ] - [ -0.0009867700000000, 0.0004039700000000, 0.0006937300000000 ] - [ 0.0000819800000000, -0.0008583800000000, -0.0000961400000000 ] - [ 0.0029208200000000, 0.0083879000000000, -0.0106106400000000 ] - [ 0.0003466700000000, -0.0008550800000000, 0.0000544900000000 ] - [ -0.0007577000000000, -0.0015081400000000, 0.0000335600000000 ] - [ 0.0012149900000000, 0.0000680500000000, -0.0004317400000000 ] - [ -0.0452528600000000, -0.0441641100000000, 0.0133381100000000 ] - [ 0.0008043800000000, 0.0001629300000000, -0.0001056700000000 ] - [ -0.0002937100000000, 0.0004753300000000, -0.0000916100000000 ] - [ 0.0008606100000000, 0.0003643000000000, -0.0001105100000000 ] - [ 0.0004242700000000, -0.0004772000000000, -0.0001587800000000 ] - [ -0.0002675900000000, -0.0005538500000000, 0.0001892200000000 ] - [ 0.0004206900000000, -0.0005663400000000, -0.0000077800000000 ] - [ -0.0002665200000000, 0.0005070500000000, 0.0003370900000000 ] - [ 0.0002232000000000, -0.0000983900000000, 0.0002838500000000 ] - [ 0.0024557800000000, 0.0002504400000000, -0.0013373600000000 ] - [ 0.0002808900000000, 0.0004719100000000, 0.0000095300000000 ] - [ -0.0002317300000000, 0.0004200100000000, 0.0000300000000000 ] - [ -0.0009151300000000, 0.0008746800000000, -0.0000328500000000 ] - [ 0.0007365200000000, -0.0001542700000000, -0.0001107600000000 ] - [ -0.0008263000000000, 0.0004828200000000, -0.0001213300000000 ] - [ 0.0008634800000000, -0.0003480400000000, -0.0001762000000000 ] - [ 0.0000428100000000, 0.0004304600000000, 0.0004409500000000 ] - [ 0.0007893000000000, 0.0012566600000000, -0.0006302800000000 ] - [ -0.0002685800000000, 0.0006955700000000, 0.0002969200000000 ] - [ -0.0011757700000000, 0.0005962100000000, 0.0001446900000000 ] - [ -0.0016705600000000, -0.0007085800000000, -0.0013872400000000 ] - [ 0.0016988500000000, 0.0008782600000000, -0.0001707900000000 ] - [ 0.0000040100000000, 0.0008711900000000, -0.0003833000000000 ] - [ 0.0017549900000000, 0.0010257100000000, -0.0000889400000000 ] - [ -0.0076889800000000, -0.0067413400000000, 0.0006105200000000 ] - [ 0.0019921600000000, -0.0010844700000000, -0.0000199300000000 ] - [ -0.0014459400000000, 0.0015114400000000, -0.0003171200000000 ] - [ 0.0016599800000000, -0.0008655400000000, -0.0001557600000000 ] - [ -0.0001402200000000, -0.0008245600000000, 0.0001615300000000 ] - [ 0.0030376600000000, 0.0004252100000000, 0.0029483800000000 ] - [ 0.0009242100000000, -0.0000444500000000, 0.0007446100000000 ] - [ -0.0012301000000000, -0.0007115400000000, 0.0002490500000000 ] - [ 0.0002583200000000, -0.0008484000000000, 0.0007112500000000 ] - [ 0.0007156300000000, -0.0000749500000000, 0.0008084500000000 ] - [ 0.0010828000000000, 0.0003993800000000, 0.0005665600000000 ] - [ 0.0001866900000000, -0.0007853800000000, 0.0008493300000000 ] - [ -0.0023793800000000, -0.0000482500000000, -0.0058421800000000 ] - [ 0.0003013400000000, -0.0005045000000000, -0.0006529000000000 ] - [ -0.0004776600000000, 0.0001267700000000, -0.0004441500000000 ] - [ 0.0002050400000000, -0.0002536300000000, -0.0006572200000000 ] - [ -0.0012865700000000, 0.0007749100000000, 0.0018024700000000 ] - [ 0.0001953500000000, 0.0002768400000000, -0.0006914300000000 ] - [ -0.0009999900000000, 0.0010377300000000, -0.0010263500000000 ] - [ 0.0002615300000000, 0.0005110900000000, -0.0006876400000000 ] - [ 0.0002801500000000, 0.0004067300000000, 0.0007625000000000 ] - [ 0.0003614600000000, 0.0002960700000000, 0.0002122100000000 ] - [ 0.0002020100000000, 0.0008091600000000, 0.0003752400000000 ] - [ 0.0000672600000000, 0.0005269000000000, 0.0006697700000000 ] - [ 0.0030721100000000, -0.0008840200000000, -0.0023704500000000 ] - [ -0.0004951500000000, 0.0001659800000000, 0.0001436400000000 ] - [ 0.0017744800000000, -0.0004842800000000, 0.0001660000000000 ] - [ -0.0005156400000000, 0.0001560900000000, 0.0001417300000000 ] - [ -0.0014463600000000, 0.0002380100000000, -0.0001809100000000 ] - [ -0.0027931900000000, 0.0032529200000000, -0.0015593400000000 ] - [ -0.0006753200000000, -0.0000620700000000, -0.0002588100000000 ] - [ -0.0001285100000000, -0.0006884400000000, -0.0002012200000000 ] - [ -0.0008443000000000, -0.0000194300000000, -0.0000874900000000 ] - [ 0.0001467900000000, 0.0005932900000000, 0.0003175900000000 ] - [ -0.0006447500000000, -0.0001352600000000, -0.0001175000000000 ] - [ 0.0000269200000000, -0.0007368600000000, -0.0000494000000000 ] - [ 0.0027890400000000, -0.0003039300000000, 0.0021549400000000 ] - [ -0.0004852700000000, -0.0001280300000000, 0.0001386500000000 ] - [ 0.0010022300000000, -0.0004976000000000, 0.0001649200000000 ] - [ -0.0003472700000000, -0.0001640500000000, 0.0001333800000000 ] - [ 0.0492243100000000, 0.0398113500000000, -0.0015415900000000 ] - [ -0.0022650200000000, 0.0012253600000000, 0.0000518800000000 ] - [ 0.0035349100000000, -0.0014645900000000, -0.0003159100000000 ] - [ -0.0016493300000000, -0.0001621300000000, 0.0003604700000000 ] - [ -0.0010605800000000, 0.0028590400000000, 0.0011740700000000 ] - [ -0.0035014800000000, -0.0010832100000000, -0.0007542900000000 ] - [ -0.0039936100000000, -0.0022067000000000, 0.0003638800000000 ] - [ 0.0000380700000000, 0.0009951400000000, -0.0002307900000000 ] - [ -0.0010308800000000, 0.0007538300000000, -0.0011561400000000 ] - [ -0.0039995900000000, -0.0016528600000000, 0.0016423900000000 ] - [ -0.0004838200000000, -0.0017372600000000, -0.0003824300000000 ] - [ -0.0000133700000000, -0.0006348000000000, 0.0000276200000000 ] - [ 0.0033738300000000, 0.0009057800000000, 0.0007448000000000 ] - [ -0.0017095200000000, 0.0001007500000000, 0.0004448800000000 ] - [ 0.0022104300000000, -0.0017821000000000, 0.0002862500000000 ] - [ -0.0018704000000000, -0.0011119300000000, 0.0001113100000000 ]- atom: 17 displacement: [ -0.0099997061045471, 0.0000000000000000, -0.0000766669595341 ] forces: - [ -0.0000184100000000, 0.0010167700000000, -0.0017371700000000 ] - [ -0.0008991300000000, 0.0016411400000000, 0.0005154800000000 ] - [ 0.0007207900000000, 0.0000451800000000, -0.0002941300000000 ] - [ -0.0000839600000000, 0.0008188300000000, 0.0000616800000000 ] - [ 0.0004455200000000, 0.0015283200000000, -0.0003609200000000 ] - [ -0.0009766900000000, -0.0002002500000000, 0.0005688800000000 ] - [ -0.0001907800000000, 0.0007234300000000, 0.0000566200000000 ] - [ -0.0003630400000000, 0.0008460600000000, 0.0000496100000000 ] - [ -0.0015113700000000, 0.0014484400000000, 0.0010352500000000 ] - [ -0.0013352200000000, -0.0001907100000000, 0.0001035200000000 ] - [ 0.0007374200000000, -0.0020447600000000, -0.0007803600000000 ] - [ -0.0003298200000000, -0.0007834100000000, 0.0000099000000000 ] - [ -0.0026437800000000, -0.0100126200000000, 0.0106630600000000 ] - [ -0.0001018600000000, -0.0007883600000000, 0.0000327500000000 ] - [ 0.0009997900000000, -0.0001269300000000, 0.0000525800000000 ] - [ -0.0009762000000000, -0.0017179400000000, 0.0005221800000000 ] - [ 0.0451535600000000, 0.0425318900000000, -0.0130344000000000 ] - [ -0.0003569600000000, -0.0002850400000000, -0.0000603100000000 ] - [ 0.0007468800000000, -0.0005891000000000, -0.0000754600000000 ] - [ -0.0004155200000000, -0.0004854600000000, -0.0000554100000000 ] - [ -0.0008746300000000, 0.0003546000000000, 0.0003238400000000 ] - [ -0.0001853100000000, 0.0004420200000000, -0.0000244000000000 ] - [ -0.0008760100000000, 0.0004514500000000, 0.0001738300000000 ] - [ -0.0001823300000000, -0.0006293300000000, -0.0001736500000000 ] - [ -0.0006756000000000, 0.0002152900000000, -0.0001178800000000 ] - [ -0.0029309700000000, -0.0001325000000000, 0.0015215000000000 ] - [ -0.0007321600000000, -0.0003534900000000, 0.0001568100000000 ] - [ -0.0002187800000000, -0.0003052700000000, 0.0001369500000000 ] - [ 0.0013662200000000, -0.0007510300000000, -0.0001324600000000 ] - [ -0.0002899500000000, 0.0002745400000000, -0.0000547600000000 ] - [ 0.0012795800000000, -0.0003663600000000, -0.0000443700000000 ] - [ -0.0004161700000000, 0.0004687300000000, 0.0000105900000000 ] - [ -0.0016953700000000, 0.0010588100000000, 0.0000461400000000 ] - [ -0.0024424800000000, 0.0002269200000000, 0.0011244500000000 ] - [ -0.0013767800000000, 0.0007902500000000, 0.0001921000000000 ] - [ -0.0004711700000000, 0.0008933900000000, 0.0003425400000000 ] - [ 0.0033282500000000, 0.0021977700000000, 0.0008987100000000 ] - [ -0.0000598200000000, 0.0006089700000000, -0.0003185900000000 ] - [ 0.0016548700000000, 0.0006231300000000, -0.0001017400000000 ] - [ -0.0001163700000000, 0.0004618000000000, -0.0004012600000000 ] - [ 0.0093114200000000, 0.0052304300000000, -0.0011025000000000 ] - [ -0.0003588100000000, -0.0003991700000000, -0.0004717500000000 ] - [ 0.0031021500000000, -0.0029955900000000, -0.0001700000000000 ] - [ -0.0000151700000000, -0.0006225700000000, -0.0003311500000000 ] - [ -0.0015053800000000, -0.0006631800000000, 0.0003293100000000 ] - [ -0.0047195000000000, -0.0019288400000000, -0.0024962600000000 ] - [ -0.0025706300000000, -0.0014438200000000, -0.0002555200000000 ] - [ -0.0004141400000000, -0.0007775100000000, 0.0002387800000000 ] - [ -0.0001009200000000, -0.0000351900000000, 0.0006334700000000 ] - [ -0.0005585800000000, -0.0008155700000000, 0.0005374500000000 ] - [ -0.0009231300000000, -0.0012855600000000, 0.0007792300000000 ] - [ -0.0000281500000000, -0.0000946400000000, 0.0004927900000000 ] - [ 0.0021711000000000, -0.0008501600000000, 0.0045134800000000 ] - [ -0.0004655700000000, -0.0003822300000000, -0.0006939400000000 ] - [ 0.0003173900000000, -0.0010116400000000, -0.0009030100000000 ] - [ -0.0003672900000000, -0.0006298800000000, -0.0006875300000000 ] - [ 0.0011270800000000, 0.0001090500000000, -0.0031420900000000 ] - [ -0.0003572400000000, 0.0006088400000000, -0.0006535900000000 ] - [ 0.0008382300000000, -0.0001429300000000, -0.0003268900000000 ] - [ -0.0004248600000000, 0.0003745200000000, -0.0006581400000000 ] - [ -0.0001219300000000, 0.0004775800000000, 0.0005833500000000 ] - [ -0.0002038200000000, 0.0005837800000000, 0.0011327300000000 ] - [ -0.0000433200000000, 0.0000744200000000, 0.0009687100000000 ] - [ 0.0000924000000000, 0.0003539300000000, 0.0006728200000000 ] - [ -0.0026601600000000, 0.0010889800000000, 0.0026752000000000 ] - [ 0.0009330700000000, 0.0000435600000000, 0.0001623800000000 ] - [ -0.0013424700000000, 0.0006950600000000, 0.0001397200000000 ] - [ 0.0009519600000000, 0.0000528300000000, 0.0001644400000000 ] - [ 0.0010164800000000, -0.0000232900000000, -0.0001256400000000 ] - [ 0.0023706100000000, -0.0030672600000000, 0.0012661400000000 ] - [ 0.0002437000000000, 0.0002732300000000, -0.0000468400000000 ] - [ -0.0003104100000000, 0.0009052500000000, -0.0001040500000000 ] - [ 0.0004132500000000, -0.0001890500000000, -0.0002181300000000 ] - [ -0.0005864900000000, -0.0008062700000000, -0.0006266200000000 ] - [ 0.0002134300000000, -0.0000757900000000, -0.0001887300000000 ] - [ -0.0004677200000000, 0.0005309800000000, -0.0002572700000000 ] - [ -0.0023668700000000, 0.0000929600000000, -0.0018684600000000 ] - [ 0.0009228300000000, -0.0000844900000000, 0.0001675500000000 ] - [ -0.0005711700000000, 0.0002841000000000, 0.0001404400000000 ] - [ 0.0007836200000000, -0.0000488200000000, 0.0001731100000000 ] - [ -0.0486616000000000, -0.0371441300000000, 0.0012906600000000 ] - [ 0.0021450400000000, -0.0000726100000000, 0.0001356500000000 ] - [ -0.0036741400000000, 0.0026005100000000, 0.0005036700000000 ] - [ 0.0015237400000000, 0.0013208600000000, -0.0001759300000000 ] - [ 0.0012076300000000, -0.0017128100000000, -0.0013664400000000 ] - [ 0.0036553600000000, 0.0022533800000000, 0.0005733300000000 ] - [ 0.0041262700000000, 0.0033615000000000, -0.0005525600000000 ] - [ 0.0000941200000000, 0.0001560400000000, 0.0000459000000000 ] - [ 0.0011796300000000, -0.0019134000000000, 0.0009715300000000 ] - [ 0.0041577900000000, 0.0005114300000000, -0.0018450500000000 ] - [ 0.0006209700000000, 0.0005815000000000, 0.0001944300000000 ] - [ 0.0001457000000000, -0.0005232200000000, -0.0002142800000000 ] - [ -0.0035135600000000, -0.0020451500000000, -0.0005557800000000 ] - [ 0.0015845900000000, -0.0012584800000000, -0.0002605400000000 ] - [ -0.0023504200000000, 0.0006147900000000, -0.0000947800000000 ] - [ 0.0017476600000000, -0.0000414200000000, 0.0000755100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002208500000000, -0.0020423100000000, -0.0004854500000000 ] - [ 0.0008216300000000, 0.0001865600000000, -0.0003042000000000 ] - [ -0.0008710300000000, 0.0024520200000000, 0.0005164200000000 ] - [ 0.0001478600000000, 0.0009511200000000, 0.0001016400000000 ] - [ -0.0009001600000000, 0.0002128700000000, 0.0000465900000000 ] - [ 0.0005168200000000, 0.0012886800000000, -0.0002604400000000 ] - [ 0.0001638200000000, 0.0011298000000000, -0.0002518100000000 ] - [ -0.0000948300000000, 0.0008654000000000, -0.0001600600000000 ] - [ 0.0038762400000000, -0.0082388600000000, -0.0024965900000000 ] - [ 0.0005053000000000, -0.0015122800000000, -0.0003015800000000 ] - [ -0.0018522500000000, 0.0013799000000000, 0.0011934500000000 ] - [ -0.0000579900000000, -0.0005593500000000, 0.0000780800000000 ] - [ 0.0029809600000000, 0.0101018400000000, -0.0115921200000000 ] - [ 0.0001642500000000, -0.0009214500000000, 0.0000792400000000 ] - [ -0.0023552000000000, 0.0001909800000000, 0.0011249300000000 ] - [ 0.0008045600000000, -0.0002573200000000, -0.0002514500000000 ] - [ -0.0443698600000000, -0.0767505900000000, 0.0214261200000000 ] - [ 0.0004497300000000, -0.0000574000000000, -0.0000673800000000 ] - [ 0.0007559500000000, 0.0021924100000000, -0.0002537900000000 ] - [ 0.0006502600000000, 0.0002758500000000, -0.0000876500000000 ] - [ 0.0002882800000000, -0.0004244400000000, -0.0002052600000000 ] - [ -0.0007937200000000, 0.0000143500000000, -0.0000553400000000 ] - [ 0.0001927100000000, -0.0004232500000000, 0.0000777000000000 ] - [ 0.0002684600000000, 0.0000173800000000, 0.0002642100000000 ] - [ -0.0003833900000000, -0.0009518500000000, 0.0004882600000000 ] - [ -0.0000228500000000, -0.0007743100000000, 0.0000198800000000 ] - [ 0.0001896500000000, 0.0006609000000000, -0.0000309400000000 ] - [ 0.0001359300000000, 0.0007301600000000, -0.0000516100000000 ] - [ -0.0005909100000000, 0.0007806800000000, -0.0000722700000000 ] - [ 0.0004405700000000, -0.0000189000000000, -0.0001015800000000 ] - [ -0.0001955300000000, 0.0002434600000000, -0.0003697700000000 ] - [ 0.0006356200000000, -0.0002056100000000, -0.0001689400000000 ] - [ -0.0008631300000000, 0.0007134200000000, 0.0002331300000000 ] - [ 0.0015558500000000, 0.0005479300000000, -0.0004038900000000 ] - [ -0.0005949900000000, 0.0007979300000000, 0.0002215200000000 ] - [ -0.0013775500000000, 0.0010298500000000, 0.0002385100000000 ] - [ -0.0005859400000000, -0.0006409100000000, -0.0006931000000000 ] - [ 0.0012462400000000, 0.0007396300000000, -0.0002418500000000 ] - [ 0.0007590600000000, 0.0013573800000000, -0.0003931000000000 ] - [ 0.0013489400000000, 0.0009655600000000, -0.0001543500000000 ] - [ -0.0008016500000000, 0.0064239900000000, -0.0031295200000000 ] - [ 0.0015691000000000, -0.0010001200000000, -0.0000868300000000 ] - [ -0.0011396100000000, 0.0037281500000000, -0.0000199400000000 ] - [ 0.0012081200000000, -0.0007443000000000, -0.0002041800000000 ] - [ -0.0008022600000000, -0.0011694200000000, -0.0001023100000000 ] - [ 0.0013951100000000, -0.0011423400000000, 0.0014410700000000 ] - [ 0.0008713100000000, 0.0000956000000000, 0.0008202700000000 ] - [ -0.0010794800000000, -0.0002843500000000, 0.0002362200000000 ] - [ -0.0001868700000000, -0.0010581900000000, 0.0009902400000000 ] - [ 0.0007848800000000, -0.0004242700000000, 0.0008757900000000 ] - [ 0.0012622400000000, 0.0007727100000000, 0.0004888900000000 ] - [ -0.0001887500000000, -0.0003351100000000, 0.0006631400000000 ] - [ -0.0002587200000000, -0.0048863400000000, -0.0056552500000000 ] - [ 0.0001192600000000, -0.0005440000000000, -0.0006945500000000 ] - [ -0.0002339800000000, 0.0009976900000000, 0.0000666300000000 ] - [ 0.0000925000000000, -0.0002621800000000, -0.0006450700000000 ] - [ -0.0007138400000000, 0.0006134700000000, 0.0017925100000000 ] - [ 0.0000666400000000, 0.0003288200000000, -0.0006768900000000 ] - [ -0.0014159900000000, 0.0029165700000000, -0.0031419200000000 ] - [ 0.0000911200000000, 0.0005129500000000, -0.0006754800000000 ] - [ 0.0000369600000000, 0.0000264200000000, 0.0003329700000000 ] - [ 0.0002256600000000, 0.0001008900000000, 0.0004616000000000 ] - [ 0.0000985600000000, 0.0009967800000000, 0.0003540500000000 ] - [ 0.0001379400000000, 0.0006740200000000, 0.0006813300000000 ] - [ 0.0004606900000000, 0.0015168200000000, -0.0028235100000000 ] - [ -0.0001136500000000, 0.0001687100000000, 0.0001570800000000 ] - [ 0.0013104200000000, -0.0019558100000000, 0.0007652500000000 ] - [ -0.0003065700000000, 0.0001134600000000, 0.0001496000000000 ] - [ -0.0013664300000000, 0.0004865300000000, -0.0002131600000000 ] - [ 0.0008903000000000, 0.0018462500000000, -0.0002502800000000 ] - [ -0.0002808300000000, -0.0002505600000000, -0.0002651100000000 ] - [ -0.0008780500000000, -0.0009148700000000, -0.0002737900000000 ] - [ -0.0006294100000000, 0.0001534700000000, -0.0000159600000000 ] - [ 0.0002241500000000, 0.0003575700000000, -0.0000156100000000 ] - [ -0.0002945600000000, -0.0003400500000000, -0.0000921700000000 ] - [ -0.0005032300000000, -0.0006740000000000, -0.0000316400000000 ] - [ 0.0006353500000000, 0.0022805700000000, 0.0014949300000000 ] - [ -0.0000597500000000, -0.0000523700000000, 0.0001387600000000 ] - [ 0.0006230100000000, -0.0012086800000000, 0.0000441600000000 ] - [ -0.0001126500000000, -0.0001841000000000, 0.0001387800000000 ] - [ 0.0396962400000000, 0.0646568700000000, -0.0028371300000000 ] - [ -0.0012188700000000, 0.0012118200000000, 0.0000105300000000 ] - [ 0.0041467800000000, -0.0069226400000000, -0.0004018100000000 ] - [ -0.0009457500000000, -0.0001068100000000, 0.0002547500000000 ] - [ 0.0014464500000000, 0.0044156700000000, 0.0005884200000000 ] - [ -0.0025516500000000, 0.0004608800000000, -0.0005306200000000 ] - [ -0.0044017700000000, -0.0035306100000000, 0.0004160400000000 ] - [ 0.0005905300000000, -0.0000053700000000, -0.0000513800000000 ] - [ 0.0013387400000000, 0.0016285900000000, -0.0002713800000000 ] - [ -0.0028343000000000, 0.0005822800000000, 0.0004987100000000 ] - [ 0.0000365300000000, -0.0025585800000000, -0.0003608100000000 ] - [ 0.0001905300000000, -0.0014120800000000, -0.0000248400000000 ] - [ 0.0010074100000000, 0.0022928300000000, 0.0010243500000000 ] - [ -0.0009000900000000, 0.0000173200000000, 0.0003576800000000 ] - [ 0.0019909200000000, -0.0033818600000000, 0.0015115400000000 ] - [ -0.0010972700000000, -0.0010759300000000, 0.0000806800000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004368000000000, 0.0036779800000000, 0.0005498200000000 ] - [ -0.0005728600000000, 0.0014553400000000, 0.0003901900000000 ] - [ 0.0011197900000000, -0.0008119600000000, -0.0004271800000000 ] - [ 0.0000983300000000, 0.0006942800000000, -0.0000137800000000 ] - [ 0.0006584900000000, 0.0014366700000000, -0.0001367800000000 ] - [ -0.0007620300000000, 0.0003597400000000, 0.0001704400000000 ] - [ -0.0004194900000000, 0.0005057200000000, 0.0001690500000000 ] - [ -0.0001507400000000, 0.0007767000000000, 0.0000739000000000 ] - [ -0.0041067300000000, 0.0065645400000000, 0.0023992200000000 ] - [ -0.0007471900000000, -0.0001288800000000, 0.0002156400000000 ] - [ 0.0016139600000000, -0.0030288800000000, -0.0012854500000000 ] - [ -0.0001892100000000, -0.0010821600000000, -0.0001649200000000 ] - [ -0.0027404500000000, -0.0117044400000000, 0.0116454500000000 ] - [ 0.0000814000000000, -0.0007222900000000, 0.0000087900000000 ] - [ 0.0026153600000000, -0.0018320000000000, -0.0010502600000000 ] - [ -0.0005551900000000, -0.0013814900000000, 0.0003373600000000 ] - [ 0.0426708100000000, 0.0739586700000000, -0.0205088700000000 ] - [ 0.0000010000000000, -0.0000616200000000, -0.0000985900000000 ] - [ -0.0003106200000000, -0.0023169400000000, 0.0000912000000000 ] - [ -0.0002000800000000, -0.0003936600000000, -0.0000786200000000 ] - [ -0.0007336700000000, 0.0003009900000000, 0.0003684400000000 ] - [ 0.0003422000000000, -0.0001334500000000, 0.0002204700000000 ] - [ -0.0006394900000000, 0.0003029300000000, 0.0000875300000000 ] - [ -0.0007249400000000, -0.0001283400000000, -0.0000990600000000 ] - [ -0.0000634600000000, 0.0010715500000000, -0.0003207200000000 ] - [ -0.0004054800000000, 0.0009006200000000, 0.0001383900000000 ] - [ -0.0006376300000000, -0.0005408900000000, 0.0001978100000000 ] - [ -0.0005914200000000, -0.0006158700000000, 0.0002201600000000 ] - [ 0.0010351400000000, -0.0006490700000000, -0.0000928800000000 ] - [ 0.0000109100000000, 0.0001395100000000, -0.0000643000000000 ] - [ 0.0006491600000000, -0.0001302400000000, 0.0001997100000000 ] - [ -0.0001830300000000, 0.0003248100000000, 0.0000028600000000 ] - [ -0.0007833000000000, 0.0007757900000000, 0.0002538400000000 ] - [ -0.0032106900000000, 0.0009505000000000, 0.0008913100000000 ] - [ -0.0010439800000000, 0.0006870200000000, 0.0002692600000000 ] - [ -0.0002694000000000, 0.0004558700000000, 0.0002489900000000 ] - [ 0.0022284000000000, 0.0021250700000000, 0.0001956100000000 ] - [ 0.0004003500000000, 0.0007491900000000, -0.0002468800000000 ] - [ 0.0008906500000000, 0.0001331100000000, -0.0000918800000000 ] - [ 0.0002977400000000, 0.0005247600000000, -0.0003345900000000 ] - [ 0.0024512800000000, -0.0076862400000000, 0.0025593600000000 ] - [ 0.0000737600000000, -0.0004844200000000, -0.0004030400000000 ] - [ 0.0027865400000000, -0.0052572400000000, -0.0004784600000000 ] - [ 0.0004445400000000, -0.0007435300000000, -0.0002819800000000 ] - [ -0.0008293800000000, -0.0003136600000000, 0.0005941500000000 ] - [ -0.0030246800000000, -0.0003322000000000, -0.0009437400000000 ] - [ -0.0025119500000000, -0.0015819200000000, -0.0003315300000000 ] - [ -0.0005732900000000, -0.0012067100000000, 0.0002493900000000 ] - [ 0.0003497000000000, 0.0001729100000000, 0.0003574000000000 ] - [ -0.0006262000000000, -0.0004578200000000, 0.0004698100000000 ] - [ -0.0010982800000000, -0.0016533600000000, 0.0008545500000000 ] - [ 0.0003484900000000, -0.0005495200000000, 0.0006818500000000 ] - [ 0.0000583100000000, 0.0039298800000000, 0.0043486800000000 ] - [ -0.0002791500000000, -0.0003420900000000, -0.0006520500000000 ] - [ 0.0000726300000000, -0.0018890000000000, -0.0014215400000000 ] - [ -0.0002520600000000, -0.0006189500000000, -0.0007000400000000 ] - [ 0.0005497600000000, 0.0002653500000000, -0.0031525800000000 ] - [ -0.0002256800000000, 0.0005568400000000, -0.0006687600000000 ] - [ 0.0012624200000000, -0.0020405000000000, 0.0018177600000000 ] - [ -0.0002507800000000, 0.0003749900000000, -0.0006709200000000 ] - [ 0.0001214200000000, 0.0008631200000000, 0.0010122000000000 ] - [ -0.0000649200000000, 0.0007824200000000, 0.0008785300000000 ] - [ 0.0000624200000000, -0.0001125900000000, 0.0009901300000000 ] - [ 0.0000207700000000, 0.0002073400000000, 0.0006615000000000 ] - [ -0.0000402000000000, -0.0013875100000000, 0.0030253700000000 ] - [ 0.0005483900000000, 0.0000423500000000, 0.0001501000000000 ] - [ -0.0008733700000000, 0.0021693600000000, -0.0004531600000000 ] - [ 0.0007416700000000, 0.0000975700000000, 0.0001574500000000 ] - [ 0.0009261700000000, -0.0002711400000000, -0.0000940100000000 ] - [ -0.0013507600000000, -0.0016106300000000, -0.0000663700000000 ] - [ -0.0001603700000000, 0.0004641000000000, -0.0000424200000000 ] - [ 0.0004519800000000, 0.0011313800000000, -0.0000308400000000 ] - [ 0.0001924900000000, -0.0003611600000000, -0.0002909500000000 ] - [ -0.0006642600000000, -0.0005612300000000, -0.0002871900000000 ] - [ -0.0001447900000000, 0.0001306900000000, -0.0002138700000000 ] - [ 0.0000707600000000, 0.0004644500000000, -0.0002750800000000 ] - [ -0.0002075000000000, -0.0025180100000000, -0.0011342800000000 ] - [ 0.0004945700000000, -0.0001596800000000, 0.0001683600000000 ] - [ -0.0001861800000000, 0.0010041500000000, 0.0002593500000000 ] - [ 0.0005487500000000, -0.0000278600000000, 0.0001686500000000 ] - [ -0.0376064500000000, -0.0609795300000000, 0.0021205700000000 ] - [ 0.0010798600000000, -0.0000520800000000, 0.0001760800000000 ] - [ -0.0043062400000000, 0.0081205100000000, 0.0005951800000000 ] - [ 0.0008092300000000, 0.0012603700000000, -0.0000677600000000 ] - [ -0.0013259300000000, -0.0032670900000000, -0.0007700900000000 ] - [ 0.0026772500000000, 0.0006802500000000, 0.0003446000000000 ] - [ 0.0045256100000000, 0.0046889100000000, -0.0005928400000000 ] - [ -0.0004524400000000, 0.0011686200000000, -0.0001339800000000 ] - [ -0.0011934000000000, -0.0027957200000000, 0.0000799200000000 ] - [ 0.0029584300000000, -0.0017564500000000, -0.0006774900000000 ] - [ 0.0000932400000000, 0.0014113800000000, 0.0001674600000000 ] - [ -0.0000550700000000, 0.0002634300000000, -0.0001629300000000 ] - [ -0.0011247200000000, -0.0034180600000000, -0.0008231500000000 ] - [ 0.0007624300000000, -0.0011677300000000, -0.0001701200000000 ] - [ -0.0021247200000000, 0.0022250600000000, -0.0013341300000000 ] - [ 0.0009605100000000, -0.0000810100000000, 0.0001062400000000 ]- atom: 17 displacement: [ -0.0000313680234493, 0.0000000000000000, 0.0099999508022342 ] forces: - [ 0.0038530600000000, 0.0034731500000000, 0.0037414100000000 ] - [ -0.0002178000000000, 0.0011279800000000, 0.0002224700000000 ] - [ 0.0003343700000000, 0.0004877300000000, -0.0000715800000000 ] - [ 0.0000958000000000, 0.0008242600000000, 0.0000341200000000 ] - [ -0.0000198800000000, 0.0007312400000000, 0.0002382400000000 ] - [ -0.0004431300000000, 0.0004908800000000, 0.0003601000000000 ] - [ -0.0003240400000000, 0.0007132500000000, 0.0000371700000000 ] - [ -0.0001574600000000, 0.0008787500000000, 0.0000100800000000 ] - [ -0.0004737400000000, -0.0007163800000000, -0.0001874800000000 ] - [ 0.0000066500000000, -0.0008851900000000, -0.0003034600000000 ] - [ -0.0000306300000000, -0.0009694600000000, -0.0001293500000000 ] - [ -0.0000989100000000, -0.0008588100000000, -0.0001088400000000 ] - [ -0.0002574400000000, -0.0007957900000000, 0.0006063700000000 ] - [ 0.0001628100000000, -0.0007604100000000, 0.0000256500000000 ] - [ -0.0004435400000000, 0.0002283700000000, 0.0000498100000000 ] - [ 0.0003150600000000, -0.0006390700000000, -0.0000708500000000 ] - [ 0.0138937800000000, 0.0211940500000000, -0.0477626200000000 ] - [ 0.0001993900000000, -0.0000462100000000, -0.0001358300000000 ] - [ 0.0002189600000000, -0.0002372200000000, -0.0001476700000000 ] - [ 0.0001937900000000, -0.0000671400000000, -0.0000928900000000 ] - [ -0.0003192700000000, -0.0000528700000000, 0.0001496000000000 ] - [ 0.0000286800000000, -0.0002373100000000, 0.0002114000000000 ] - [ -0.0004698700000000, 0.0002290300000000, 0.0001477200000000 ] - [ -0.0001203800000000, 0.0000770800000000, 0.0002098000000000 ] - [ -0.0000225500000000, 0.0004685700000000, -0.0000602200000000 ] - [ -0.0016678700000000, -0.0000000700000000, 0.0002210800000000 ] - [ -0.0003003600000000, -0.0000571800000000, 0.0000730900000000 ] - [ -0.0002788100000000, -0.0000796700000000, 0.0000390900000000 ] - [ 0.0002723000000000, 0.0000409400000000, 0.0011601100000000 ] - [ 0.0001943200000000, 0.0000794100000000, -0.0000285200000000 ] - [ 0.0001868700000000, 0.0003496400000000, 0.0000255500000000 ] - [ 0.0001283400000000, 0.0001476800000000, -0.0000550800000000 ] - [ -0.0003531900000000, 0.0005556800000000, 0.0004210200000000 ] - [ -0.0025850700000000, 0.0004379100000000, 0.0005771700000000 ] - [ -0.0008811900000000, 0.0007577000000000, 0.0002457700000000 ] - [ -0.0008484000000000, 0.0008617300000000, 0.0002151000000000 ] - [ 0.0016795100000000, 0.0020215400000000, 0.0016153700000000 ] - [ 0.0007557200000000, 0.0007629300000000, -0.0002167000000000 ] - [ 0.0008119300000000, 0.0005662900000000, -0.0001127500000000 ] - [ 0.0007127200000000, 0.0006938400000000, -0.0002593400000000 ] - [ 0.0010119900000000, -0.0041972400000000, -0.0009298800000000 ] - [ 0.0007214800000000, -0.0007086000000000, -0.0002737700000000 ] - [ 0.0008961700000000, -0.0003099000000000, -0.0007663000000000 ] - [ 0.0007830900000000, -0.0007355000000000, -0.0002750100000000 ] - [ -0.0011299400000000, -0.0008061700000000, 0.0001841400000000 ] - [ 0.0017818500000000, -0.0000386900000000, 0.0010027900000000 ] - [ -0.0010213100000000, -0.0008257100000000, 0.0002021700000000 ] - [ -0.0006602500000000, -0.0007861600000000, 0.0002878000000000 ] - [ -0.0000018600000000, -0.0004012100000000, 0.0002411900000000 ] - [ 0.0000957900000000, -0.0003633700000000, 0.0002618200000000 ] - [ -0.0001020400000000, -0.0006235200000000, 0.0007175800000000 ] - [ 0.0001664700000000, -0.0004537900000000, 0.0005852300000000 ] - [ -0.0094947800000000, -0.0105954700000000, 0.0133686700000000 ] - [ -0.0000943500000000, -0.0004759400000000, -0.0006773200000000 ] - [ -0.0001173700000000, -0.0005382200000000, -0.0006199500000000 ] - [ -0.0000948400000000, -0.0004540700000000, -0.0006456100000000 ] - [ 0.0006637500000000, 0.0003339400000000, -0.0014896000000000 ] - [ -0.0001124400000000, 0.0004791000000000, -0.0006992400000000 ] - [ 0.0006191300000000, -0.0013154300000000, 0.0005349500000000 ] - [ -0.0001237700000000, 0.0003758500000000, -0.0006676400000000 ] - [ 0.0003299200000000, 0.0004809900000000, 0.0011858800000000 ] - [ -0.0000749500000000, 0.0004968100000000, 0.0011436900000000 ] - [ 0.0000784300000000, 0.0003459500000000, 0.0006998300000000 ] - [ 0.0000633100000000, 0.0004135700000000, 0.0007302200000000 ] - [ 0.0000624100000000, 0.0004134700000000, 0.0041085700000000 ] - [ 0.0002812000000000, 0.0001047900000000, 0.0001466200000000 ] - [ 0.0001434400000000, 0.0006147900000000, -0.0001416600000000 ] - [ 0.0002951500000000, 0.0000956000000000, 0.0001393100000000 ] - [ 0.0000142400000000, 0.0000934200000000, -0.0000470900000000 ] - [ -0.0009529200000000, 0.0001513000000000, 0.0009165200000000 ] - [ -0.0001648200000000, 0.0001339800000000, -0.0000868700000000 ] - [ -0.0002766100000000, 0.0001548000000000, 0.0000206600000000 ] - [ -0.0001829300000000, -0.0002086800000000, -0.0002395600000000 ] - [ -0.0000305600000000, -0.0004258900000000, -0.0006471700000000 ] - [ -0.0002206800000000, -0.0000170800000000, -0.0002488700000000 ] - [ -0.0001186400000000, 0.0001463500000000, -0.0004302500000000 ] - [ -0.0012338600000000, -0.0024807500000000, 0.0099890200000000 ] - [ 0.0002333600000000, -0.0001130400000000, 0.0001626300000000 ] - [ 0.0001175400000000, 0.0000090800000000, 0.0002801600000000 ] - [ 0.0002749500000000, -0.0001038000000000, 0.0001732600000000 ] - [ -0.0060817900000000, -0.0072896800000000, 0.0167395900000000 ] - [ 0.0000123400000000, 0.0005041300000000, 0.0002526200000000 ] - [ -0.0002264500000000, 0.0004629200000000, 0.0011347000000000 ] - [ -0.0000306800000000, 0.0005417300000000, 0.0002040600000000 ] - [ 0.0014798900000000, -0.0001966700000000, -0.0003477300000000 ] - [ -0.0013090600000000, -0.0001558600000000, -0.0000438700000000 ] - [ 0.0006643200000000, 0.0010916900000000, -0.0003555400000000 ] - [ -0.0002608900000000, 0.0007136100000000, -0.0000960900000000 ] - [ -0.0020964200000000, -0.0002425200000000, -0.0000746600000000 ] - [ 0.0023467600000000, -0.0003493200000000, -0.0005408100000000 ] - [ 0.0000797000000000, -0.0002756800000000, 0.0000232800000000 ] - [ 0.0001698700000000, -0.0005902900000000, -0.0000517900000000 ] - [ -0.0008324300000000, -0.0029317400000000, -0.0041826500000000 ] - [ 0.0001555600000000, -0.0008245500000000, -0.0000940700000000 ] - [ -0.0004275200000000, 0.0003173200000000, -0.0016267600000000 ] - [ 0.0002015500000000, -0.0004375100000000, -0.0000313200000000 ]- atom: 17 displacement: [ 0.0000313680234493, 0.0000000000000000, -0.0099999508022342 ] forces: - [ -0.0035353100000000, -0.0018063400000000, -0.0035973200000000 ] - [ 0.0004593400000000, 0.0005185800000000, -0.0001334700000000 ] - [ -0.0000813400000000, 0.0011471200000000, 0.0001540700000000 ] - [ 0.0001490600000000, 0.0008195700000000, 0.0000533300000000 ] - [ -0.0002208400000000, 0.0009146000000000, -0.0003259800000000 ] - [ 0.0001923400000000, 0.0011479300000000, -0.0004444200000000 ] - [ 0.0000903100000000, 0.0009406000000000, -0.0001287100000000 ] - [ -0.0000898600000000, 0.0007637200000000, -0.0000962400000000 ] - [ 0.0002035400000000, -0.0008797400000000, 0.0001219500000000 ] - [ -0.0002557700000000, -0.0007538800000000, 0.0002174200000000 ] - [ -0.0002089500000000, -0.0006834800000000, 0.0000353600000000 ] - [ -0.0001478800000000, -0.0007831700000000, 0.0000222400000000 ] - [ 0.0004802800000000, -0.0009459300000000, -0.0003909600000000 ] - [ 0.0000820800000000, -0.0008832300000000, 0.0000616900000000 ] - [ 0.0006968600000000, -0.0018725200000000, 0.0000388600000000 ] - [ -0.0000731500000000, -0.0010080500000000, 0.0001604300000000 ] - [ -0.0134837300000000, -0.0210028300000000, 0.0474187700000000 ] - [ 0.0002475000000000, -0.0000762100000000, -0.0000304300000000 ] - [ 0.0002302700000000, 0.0001099800000000, -0.0000196800000000 ] - [ 0.0002516100000000, -0.0000555900000000, -0.0000735100000000 ] - [ -0.0001322900000000, -0.0000654700000000, 0.0000185200000000 ] - [ -0.0004807700000000, 0.0001231000000000, -0.0000432900000000 ] - [ 0.0000183800000000, -0.0003485200000000, 0.0000175600000000 ] - [ -0.0003323600000000, -0.0001960000000000, -0.0000440200000000 ] - [ -0.0004233600000000, -0.0003411100000000, 0.0002218900000000 ] - [ 0.0012094900000000, 0.0001199500000000, -0.0000574200000000 ] - [ -0.0001494100000000, 0.0001747000000000, 0.0000930700000000 ] - [ -0.0001731200000000, 0.0001938900000000, 0.0001270300000000 ] - [ 0.0001845800000000, 0.0000664700000000, -0.0013224000000000 ] - [ 0.0002545400000000, 0.0000409800000000, -0.0001367900000000 ] - [ 0.0002582300000000, -0.0002164500000000, -0.0001843400000000 ] - [ 0.0003195300000000, -0.0000261400000000, -0.0001098700000000 ] - [ -0.0012864700000000, 0.0009290600000000, 0.0000687500000000 ] - [ 0.0009157900000000, 0.0010480500000000, -0.0000909700000000 ] - [ -0.0007597100000000, 0.0007273100000000, 0.0002430600000000 ] - [ -0.0008001400000000, 0.0006272600000000, 0.0002703500000000 ] - [ -0.0000164400000000, -0.0005115500000000, -0.0020849900000000 ] - [ 0.0008859600000000, 0.0007245500000000, -0.0002724600000000 ] - [ 0.0008419900000000, 0.0009216800000000, -0.0003728500000000 ] - [ 0.0009273500000000, 0.0007925100000000, -0.0002308700000000 ] - [ 0.0006636400000000, 0.0027164900000000, 0.0004727300000000 ] - [ 0.0009122800000000, -0.0007738000000000, -0.0002183800000000 ] - [ 0.0007565800000000, -0.0011798000000000, 0.0002808100000000 ] - [ 0.0008639600000000, -0.0007531300000000, -0.0002122500000000 ] - [ -0.0005084800000000, -0.0006767000000000, 0.0003094700000000 ] - [ -0.0034508200000000, -0.0014556600000000, -0.0005198200000000 ] - [ -0.0006368600000000, -0.0006687500000000, 0.0002819700000000 ] - [ -0.0009845200000000, -0.0007045300000000, 0.0002001900000000 ] - [ 0.0001620400000000, -0.0004840300000000, 0.0011028800000000 ] - [ 0.0000646100000000, -0.0005253800000000, 0.0010857600000000 ] - [ 0.0002525200000000, -0.0002724000000000, 0.0006291900000000 ] - [ -0.0000056200000000, -0.0004299100000000, 0.0007584200000000 ] - [ 0.0095600400000000, 0.0099304200000000, -0.0151318900000000 ] - [ -0.0000678900000000, -0.0004114200000000, -0.0006701000000000 ] - [ -0.0000427100000000, -0.0003560100000000, -0.0007284400000000 ] - [ -0.0000666300000000, -0.0004304000000000, -0.0006999800000000 ] - [ -0.0008174600000000, 0.0005672000000000, 0.0001058800000000 ] - [ -0.0000482600000000, 0.0004069300000000, -0.0006473400000000 ] - [ -0.0007705800000000, 0.0021840600000000, -0.0018756500000000 ] - [ -0.0000379600000000, 0.0005102500000000, -0.0006799000000000 ] - [ -0.0001640700000000, 0.0004040800000000, 0.0001635900000000 ] - [ 0.0002312200000000, 0.0003835500000000, 0.0001995100000000 ] - [ 0.0000821500000000, 0.0005352000000000, 0.0006486100000000 ] - [ 0.0000957500000000, 0.0004668300000000, 0.0006128500000000 ] - [ 0.0003233300000000, -0.0003896700000000, -0.0040945300000000 ] - [ 0.0001600800000000, 0.0001045700000000, 0.0001606000000000 ] - [ 0.0002843100000000, -0.0003960100000000, 0.0004415300000000 ] - [ 0.0001472900000000, 0.0001134600000000, 0.0001676500000000 ] - [ -0.0004422100000000, 0.0001166600000000, -0.0002597500000000 ] - [ 0.0005079600000000, 0.0000577500000000, -0.0012239100000000 ] - [ -0.0002722700000000, 0.0000812500000000, -0.0002193200000000 ] - [ -0.0001610200000000, 0.0000605600000000, -0.0003271800000000 ] - [ -0.0002543800000000, -0.0000032200000000, -0.0000697300000000 ] - [ -0.0004020400000000, 0.0002107900000000, 0.0003376200000000 ] - [ -0.0002171900000000, -0.0001911400000000, -0.0000597900000000 ] - [ -0.0003164500000000, -0.0003521100000000, 0.0001221400000000 ] - [ 0.0015386000000000, 0.0020180600000000, -0.0089673100000000 ] - [ 0.0002063000000000, -0.0001004900000000, 0.0001450200000000 ] - [ 0.0003186000000000, -0.0002213600000000, 0.0000304100000000 ] - [ 0.0001657500000000, -0.0001092700000000, 0.0001346400000000 ] - [ 0.0058861900000000, 0.0084266200000000, -0.0165695200000000 ] - [ -0.0001360800000000, 0.0006486100000000, -0.0000647500000000 ] - [ 0.0000834300000000, 0.0007083800000000, -0.0009438000000000 ] - [ -0.0000959100000000, 0.0006164500000000, -0.0000186700000000 ] - [ -0.0013501500000000, 0.0013319700000000, 0.0001446400000000 ] - [ 0.0014549900000000, 0.0013144400000000, -0.0001462900000000 ] - [ -0.0004924100000000, 0.0000892300000000, 0.0001598500000000 ] - [ 0.0003946500000000, 0.0004415000000000, -0.0000921500000000 ] - [ 0.0022026600000000, -0.0009130000000000, -0.0001001700000000 ] - [ -0.0021890500000000, -0.0008077300000000, 0.0003543600000000 ] - [ 0.0000499800000000, -0.0008761200000000, -0.0002012500000000 ] - [ -0.0000329500000000, -0.0005654800000000, -0.0001336300000000 ] - [ 0.0006777600000000, 0.0017073800000000, 0.0043701700000000 ] - [ -0.0002813100000000, -0.0003337400000000, 0.0002778600000000 ] - [ 0.0002763300000000, -0.0014510400000000, 0.0018066000000000 ] - [ -0.0003258900000000, -0.0007157900000000, 0.0002171900000000 ]- atom: 33 displacement: [ 0.0099997061045471, 0.0000000000000000, 0.0000766669595341 ] forces: - [ 0.0116017000000000, -0.0097199700000000, -0.0068961400000000 ] - [ 0.0015176500000000, 0.0012683600000000, 0.0000886400000000 ] - [ -0.0006224100000000, 0.0017188600000000, 0.0006645500000000 ] - [ 0.0013209500000000, -0.0007998200000000, -0.0009083500000000 ] - [ 0.0072505800000000, 0.0049327400000000, -0.0043970800000000 ] - [ 0.0013128200000000, 0.0017573400000000, -0.0004539800000000 ] - [ -0.0013631600000000, -0.0007655400000000, 0.0007717000000000 ] - [ 0.0006373400000000, 0.0012575200000000, -0.0002833500000000 ] - [ -0.0006735200000000, -0.0010123000000000, 0.0029823300000000 ] - [ 0.0004693200000000, -0.0010364600000000, -0.0002254200000000 ] - [ -0.0007638800000000, -0.0006542000000000, 0.0000027000000000 ] - [ 0.0008802500000000, -0.0015929100000000, -0.0004713700000000 ] - [ -0.0006682400000000, -0.0020623000000000, 0.0004222700000000 ] - [ 0.0006106400000000, -0.0001263000000000, -0.0004162700000000 ] - [ 0.0000201100000000, -0.0006573900000000, -0.0000164400000000 ] - [ 0.0011252100000000, -0.0003216400000000, 0.0000409500000000 ] - [ 0.0010903500000000, -0.0000967800000000, 0.0003858100000000 ] - [ 0.0018462500000000, 0.0023230600000000, -0.0018304800000000 ] - [ 0.0007796300000000, 0.0001674300000000, -0.0001416700000000 ] - [ -0.0001313000000000, -0.0006133700000000, -0.0001082800000000 ] - [ -0.0010503700000000, 0.0000055600000000, 0.0000660000000000 ] - [ 0.0007098200000000, -0.0005827000000000, -0.0000213400000000 ] - [ -0.0027361300000000, 0.0013496300000000, 0.0009309300000000 ] - [ 0.0006537000000000, -0.0004805200000000, 0.0000207700000000 ] - [ -0.0086781300000000, -0.0016182900000000, 0.0002377200000000 ] - [ 0.0009523900000000, 0.0008080200000000, -0.0000087400000000 ] - [ -0.0024939400000000, -0.0018834000000000, 0.0001434500000000 ] - [ 0.0006117100000000, 0.0004396000000000, 0.0000453800000000 ] - [ 0.0009084200000000, 0.0000483300000000, -0.0003906700000000 ] - [ 0.0041145000000000, -0.0021656900000000, 0.0025671200000000 ] - [ 0.0019736500000000, -0.0016334700000000, -0.0002693000000000 ] - [ -0.0001858400000000, 0.0003131100000000, 0.0000785700000000 ] - [ -0.1216384800000000, 0.0353786400000000, -0.0103715600000000 ] - [ 0.0009680700000000, 0.0004153500000000, 0.0004887200000000 ] - [ -0.0022485100000000, 0.0006711200000000, 0.0000799900000000 ] - [ 0.0007467000000000, 0.0003025900000000, 0.0005363800000000 ] - [ 0.0026700400000000, 0.0005740300000000, -0.0006215600000000 ] - [ 0.0016366100000000, 0.0028843100000000, 0.0005731700000000 ] - [ 0.0026660400000000, 0.0013686200000000, 0.0002102100000000 ] - [ 0.0016350600000000, -0.0007714000000000, 0.0004242700000000 ] - [ 0.0023299900000000, -0.0012792000000000, 0.0000597400000000 ] - [ -0.0000347400000000, -0.0003272100000000, -0.0003989100000000 ] - [ 0.0015684800000000, -0.0007749400000000, -0.0001627200000000 ] - [ 0.0015612700000000, -0.0016345000000000, -0.0009360800000000 ] - [ -0.0034852500000000, -0.0009365000000000, -0.0000033500000000 ] - [ 0.0007531300000000, -0.0003005700000000, 0.0004848900000000 ] - [ -0.0024403000000000, -0.0013694600000000, -0.0000157700000000 ] - [ 0.0004414900000000, -0.0005220200000000, 0.0003695700000000 ] - [ -0.0018363100000000, 0.0008382800000000, 0.0016029100000000 ] - [ 0.0005823000000000, -0.0004986400000000, 0.0006302900000000 ] - [ -0.0003510000000000, -0.0006963500000000, 0.0007792700000000 ] - [ 0.0005217500000000, -0.0005804100000000, 0.0006221400000000 ] - [ 0.0002753000000000, -0.0001831600000000, -0.0006066200000000 ] - [ 0.0001100300000000, -0.0000731600000000, -0.0007630200000000 ] - [ 0.0000704200000000, -0.0002134100000000, -0.0010295600000000 ] - [ -0.0000879900000000, -0.0009015200000000, -0.0006201300000000 ] - [ 0.0003035600000000, -0.0007273600000000, -0.0002531600000000 ] - [ -0.0000634700000000, 0.0006906000000000, -0.0007929500000000 ] - [ 0.0007607500000000, 0.0016278000000000, -0.0009720200000000 ] - [ 0.0027340200000000, -0.0014294600000000, -0.0000308000000000 ] - [ -0.0016055900000000, -0.0026336600000000, -0.0042971900000000 ] - [ 0.0006794600000000, 0.0006701600000000, 0.0007889000000000 ] - [ -0.0007244100000000, 0.0000501900000000, 0.0007397900000000 ] - [ 0.0006322600000000, 0.0003796800000000, 0.0006643100000000 ] - [ -0.0007036100000000, -0.0000799600000000, 0.0001651400000000 ] - [ 0.0006512500000000, -0.0003172500000000, -0.0001082000000000 ] - [ -0.0005174300000000, 0.0003679900000000, 0.0003271700000000 ] - [ 0.0008848700000000, 0.0003111800000000, 0.0001251600000000 ] - [ 0.0014863900000000, 0.0000968800000000, -0.0004300000000000 ] - [ -0.0012845100000000, 0.0000277900000000, -0.0001656900000000 ] - [ 0.0014405200000000, 0.0007364700000000, 0.0006640700000000 ] - [ -0.0011357800000000, 0.0000764100000000, -0.0001656500000000 ] - [ 0.0018922100000000, -0.0000907200000000, -0.0000105400000000 ] - [ -0.0014375700000000, -0.0000166500000000, -0.0002077900000000 ] - [ 0.0044435700000000, 0.0042585800000000, -0.0032038900000000 ] - [ -0.0014122900000000, -0.0000019600000000, -0.0001734100000000 ] - [ -0.0019862500000000, -0.0006656600000000, 0.0001069600000000 ] - [ 0.0090696600000000, 0.0022960000000000, 0.0000970600000000 ] - [ -0.0005571300000000, 0.0000513900000000, -0.0000684800000000 ] - [ 0.0007879600000000, 0.0006230800000000, 0.0003121600000000 ] - [ -0.0020944100000000, 0.0026044900000000, -0.0019203700000000 ] - [ -0.0011607700000000, -0.0018614100000000, 0.0012079600000000 ] - [ -0.0005977800000000, -0.0003535000000000, -0.0001822700000000 ] - [ -0.0019720000000000, 0.0023413800000000, 0.0010762500000000 ] - [ 0.0053405000000000, -0.0018726800000000, -0.0006155300000000 ] - [ -0.0028595400000000, 0.0002294900000000, -0.0000650500000000 ] - [ 0.0027898900000000, 0.0015841900000000, -0.0001293000000000 ] - [ -0.0023184800000000, 0.0010403500000000, 0.0001655300000000 ] - [ 0.0970291900000000, -0.0335897100000000, 0.0213358400000000 ] - [ -0.0036310100000000, -0.0012432600000000, 0.0003390200000000 ] - [ 0.0036392400000000, 0.0014500700000000, -0.0009705200000000 ] - [ -0.0028522800000000, -0.0001399300000000, 0.0001073500000000 ] - [ -0.0029762400000000, 0.0059961400000000, 0.0034984400000000 ] - [ -0.0015701100000000, -0.0025056200000000, -0.0003506300000000 ] - [ -0.0033168000000000, -0.0034767100000000, 0.0007126200000000 ] - [ -0.0052220500000000, 0.0035581800000000, -0.0012625400000000 ]- atom: 33 displacement: [ -0.0099997061045471, 0.0000000000000000, -0.0000766669595341 ] forces: - [ -0.0114266100000000, 0.0114113700000000, 0.0070280300000000 ] - [ -0.0012675400000000, 0.0003820400000000, 0.0000012800000000 ] - [ 0.0008753200000000, -0.0000779900000000, -0.0005804100000000 ] - [ -0.0010752000000000, 0.0024391900000000, 0.0009939100000000 ] - [ -0.0076888500000000, -0.0033386700000000, 0.0043918900000000 ] - [ -0.0015596500000000, -0.0001128300000000, 0.0003676700000000 ] - [ 0.0011226400000000, 0.0024190500000000, -0.0008662100000000 ] - [ -0.0008867000000000, 0.0003857400000000, 0.0001966900000000 ] - [ 0.0004355000000000, -0.0006409200000000, -0.0030930000000000 ] - [ -0.0007187900000000, -0.0006052700000000, 0.0001382900000000 ] - [ 0.0005192000000000, -0.0009878500000000, -0.0000888700000000 ] - [ -0.0011286000000000, -0.0000494800000000, 0.0003846100000000 ] - [ 0.0009201300000000, 0.0004238500000000, -0.0003365400000000 ] - [ -0.0003669900000000, -0.0015168600000000, 0.0005033400000000 ] - [ 0.0002344100000000, -0.0009802700000000, 0.0001009500000000 ] - [ -0.0008807200000000, -0.0013234800000000, 0.0000487900000000 ] - [ -0.0006418000000000, -0.0000167200000000, -0.0005559400000000 ] - [ -0.0014000900000000, -0.0024347400000000, 0.0016554600000000 ] - [ -0.0003290200000000, -0.0002815700000000, -0.0000247500000000 ] - [ 0.0005725000000000, 0.0004923000000000, -0.0000570700000000 ] - [ 0.0006001000000000, -0.0001273400000000, 0.0000991800000000 ] - [ -0.0011646800000000, 0.0004689800000000, 0.0001873700000000 ] - [ 0.0022918200000000, -0.0014725100000000, -0.0007776000000000 ] - [ -0.0011060800000000, 0.0003639000000000, 0.0001448000000000 ] - [ 0.0083083100000000, 0.0016768000000000, -0.0000457300000000 ] - [ -0.0014024300000000, -0.0006892000000000, 0.0001748100000000 ] - [ 0.0020547100000000, 0.0020382300000000, 0.0000265500000000 ] - [ -0.0010642000000000, -0.0003242200000000, 0.0001208600000000 ] - [ -0.0004587600000000, 0.0000695000000000, 0.0002261700000000 ] - [ -0.0036449200000000, 0.0022734300000000, -0.0027013900000000 ] - [ -0.0015294300000000, 0.0017574300000000, 0.0001040800000000 ] - [ 0.0006307800000000, -0.0001926900000000, -0.0002440100000000 ] - [ 0.1242615400000000, -0.0370605800000000, 0.0116695100000000 ] - [ -0.0026211400000000, 0.0010736000000000, -0.0000026800000000 ] - [ 0.0006021200000000, 0.0008177900000000, 0.0004077500000000 ] - [ -0.0023977200000000, 0.0011865000000000, -0.0000500100000000 ] - [ -0.0010236900000000, 0.0009213300000000, 0.0001395700000000 ] - [ -0.0000017500000000, -0.0013911500000000, -0.0010589600000000 ] - [ -0.0010153800000000, 0.0001241600000000, -0.0006964700000000 ] - [ -0.0000058200000000, 0.0022521300000000, -0.0009116200000000 ] - [ -0.0006804000000000, -0.0002103900000000, -0.0005448500000000 ] - [ 0.0016674200000000, -0.0011558800000000, -0.0000917100000000 ] - [ 0.0000824700000000, -0.0007157100000000, -0.0003230900000000 ] - [ 0.0000777100000000, 0.0001454000000000, 0.0004478300000000 ] - [ 0.0018426700000000, -0.0005536200000000, 0.0004943900000000 ] - [ -0.0024057100000000, -0.0011904800000000, 0.0000016300000000 ] - [ 0.0007925700000000, -0.0001170800000000, 0.0005046400000000 ] - [ -0.0020908500000000, -0.0009671000000000, 0.0001180500000000 ] - [ 0.0020112000000000, -0.0017335200000000, -0.0002368900000000 ] - [ -0.0004223600000000, -0.0003881300000000, 0.0007165200000000 ] - [ 0.0005104200000000, -0.0001878600000000, 0.0005681500000000 ] - [ -0.0003638000000000, -0.0003018600000000, 0.0007211300000000 ] - [ -0.0004359900000000, -0.0007024600000000, -0.0007415700000000 ] - [ -0.0002742900000000, -0.0008115100000000, -0.0005841800000000 ] - [ -0.0002321100000000, -0.0006720700000000, -0.0003160000000000 ] - [ -0.0000769800000000, 0.0000179400000000, -0.0007240000000000 ] - [ -0.0004665900000000, 0.0016215400000000, -0.0010968800000000 ] - [ -0.0001002800000000, 0.0001949000000000, -0.0005522700000000 ] - [ -0.0009217700000000, -0.0007482100000000, -0.0003722300000000 ] - [ -0.0028745200000000, 0.0022976200000000, -0.0013093900000000 ] - [ 0.0018022900000000, 0.0035254600000000, 0.0056689500000000 ] - [ -0.0005215000000000, 0.0002096400000000, 0.0005533900000000 ] - [ 0.0008871900000000, 0.0008413800000000, 0.0006033400000000 ] - [ -0.0004740400000000, 0.0005004700000000, 0.0006782900000000 ] - [ 0.0011379700000000, 0.0002921300000000, 0.0001424200000000 ] - [ -0.0002090300000000, 0.0005273700000000, 0.0004139700000000 ] - [ 0.0009524300000000, -0.0001589300000000, -0.0000212400000000 ] - [ -0.0004481200000000, -0.0001017200000000, 0.0001811700000000 ] - [ -0.0019223100000000, 0.0001213000000000, 0.0001178700000000 ] - [ 0.0008452900000000, 0.0001857600000000, -0.0001411700000000 ] - [ -0.0018718200000000, -0.0005347100000000, -0.0009808700000000 ] - [ 0.0006960900000000, 0.0001372700000000, -0.0001408200000000 ] - [ -0.0023263600000000, -0.0001090400000000, -0.0002903300000000 ] - [ 0.0009989500000000, -0.0001934900000000, -0.0000991300000000 ] - [ -0.0048368000000000, -0.0044860000000000, 0.0029070400000000 ] - [ 0.0009723700000000, -0.0002072500000000, -0.0001334700000000 ] - [ 0.0024266800000000, 0.0004550500000000, 0.0001993500000000 ] - [ -0.0078393900000000, -0.0021383600000000, 0.0001957000000000 ] - [ 0.0009921500000000, -0.0002664600000000, 0.0003769600000000 ] - [ -0.0003491800000000, -0.0008354700000000, -0.0000046800000000 ] - [ 0.0019536500000000, -0.0014561500000000, 0.0021211000000000 ] - [ 0.0010306500000000, 0.0030098400000000, -0.0010168500000000 ] - [ 0.0004474200000000, 0.0015072400000000, 0.0003706500000000 ] - [ 0.0018447100000000, -0.0011792700000000, -0.0008840700000000 ] - [ -0.0052418800000000, 0.0030553900000000, 0.0004375900000000 ] - [ 0.0029898500000000, 0.0009267800000000, -0.0001229600000000 ] - [ -0.0026652500000000, -0.0004343700000000, -0.0000570600000000 ] - [ 0.0024498200000000, 0.0001153700000000, -0.0003516400000000 ] - [ -0.1017196100000000, 0.0352706600000000, -0.0225169200000000 ] - [ 0.0037555000000000, 0.0000863700000000, -0.0005233200000000 ] - [ -0.0035285000000000, -0.0026331700000000, 0.0007916400000000 ] - [ 0.0029816200000000, -0.0010152500000000, -0.0002924400000000 ] - [ 0.0028353400000000, -0.0071767800000000, -0.0033255100000000 ] - [ 0.0014420600000000, 0.0013430600000000, 0.0005326600000000 ] - [ 0.0031708200000000, 0.0023267900000000, -0.0005218000000000 ] - [ 0.0050796300000000, -0.0046854200000000, 0.0014326100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0039946400000000, 0.0051007600000000, 0.0024884100000000 ] - [ 0.0003363500000000, 0.0006253300000000, 0.0000082000000000 ] - [ 0.0004630800000000, 0.0006754100000000, 0.0000057600000000 ] - [ -0.0005275800000000, 0.0014823700000000, 0.0003907100000000 ] - [ 0.0069756000000000, -0.0025544800000000, 0.0002070300000000 ] - [ -0.0008475900000000, 0.0001899600000000, 0.0002684600000000 ] - [ 0.0003825000000000, 0.0024114900000000, -0.0008764200000000 ] - [ 0.0000612900000000, 0.0011160100000000, -0.0002048700000000 ] - [ -0.0001254600000000, -0.0011973700000000, -0.0015048500000000 ] - [ -0.0000381700000000, -0.0010182700000000, -0.0001389900000000 ] - [ 0.0002121700000000, -0.0005923800000000, 0.0002179900000000 ] - [ -0.0006064600000000, -0.0003712100000000, 0.0002004300000000 ] - [ 0.0005387600000000, -0.0001592100000000, -0.0001733800000000 ] - [ 0.0001856800000000, -0.0006317700000000, -0.0000149400000000 ] - [ -0.0000225400000000, -0.0011744100000000, 0.0001004000000000 ] - [ -0.0003211400000000, -0.0012452800000000, 0.0001199800000000 ] - [ -0.0000866300000000, -0.0000911500000000, -0.0002696800000000 ] - [ 0.0007398300000000, -0.0002641700000000, -0.0003852100000000 ] - [ 0.0001767900000000, -0.0000052100000000, -0.0000681200000000 ] - [ 0.0000759800000000, 0.0002260500000000, 0.0000329500000000 ] - [ -0.0003500700000000, 0.0005496600000000, 0.0002597500000000 ] - [ -0.0005080300000000, 0.0001614800000000, 0.0001313400000000 ] - [ 0.0012340600000000, -0.0014379000000000, -0.0011766700000000 ] - [ -0.0003596700000000, -0.0000641000000000, 0.0000630800000000 ] - [ -0.0062608800000000, 0.0072364300000000, -0.0034480100000000 ] - [ -0.0005662100000000, -0.0001980600000000, 0.0001147300000000 ] - [ 0.0020136000000000, 0.0045241400000000, 0.0005207000000000 ] - [ -0.0003465200000000, 0.0000581800000000, 0.0000916900000000 ] - [ 0.0003040500000000, -0.0003657100000000, -0.0000182500000000 ] - [ -0.0009481600000000, -0.0003402500000000, -0.0007947600000000 ] - [ -0.0004719800000000, 0.0008945300000000, -0.0000067300000000 ] - [ 0.0001933700000000, 0.0005183500000000, -0.0000421300000000 ] - [ 0.0358850100000000, -0.0533749400000000, 0.0138709900000000 ] - [ -0.0011528100000000, 0.0007070400000000, 0.0002558600000000 ] - [ -0.0008945800000000, 0.0017612100000000, 0.0001329600000000 ] - [ -0.0012638100000000, 0.0009493100000000, 0.0001234200000000 ] - [ 0.0002050800000000, 0.0007875300000000, -0.0000932400000000 ] - [ 0.0023317800000000, 0.0014901800000000, 0.0003075500000000 ] - [ 0.0010003400000000, 0.0007900000000000, -0.0001403700000000 ] - [ -0.0012976200000000, 0.0014880800000000, -0.0010016300000000 ] - [ 0.0002942500000000, -0.0005072800000000, -0.0003694300000000 ] - [ 0.0012358000000000, -0.0006364500000000, -0.0003149100000000 ] - [ 0.0007929100000000, -0.0008341100000000, -0.0002346200000000 ] - [ -0.0000654200000000, -0.0005044000000000, 0.0001721500000000 ] - [ -0.0006279000000000, -0.0012668700000000, 0.0001546900000000 ] - [ -0.0012673900000000, -0.0009311600000000, 0.0001413700000000 ] - [ -0.0001994300000000, -0.0002090700000000, 0.0003854600000000 ] - [ -0.0010447900000000, -0.0007152700000000, 0.0002509400000000 ] - [ 0.0014828900000000, -0.0019750600000000, 0.0010745400000000 ] - [ -0.0000532100000000, -0.0005213500000000, 0.0006692500000000 ] - [ 0.0000355200000000, 0.0001390300000000, 0.0005284800000000 ] - [ -0.0000057400000000, -0.0003172200000000, 0.0006834800000000 ] - [ -0.0002289400000000, -0.0005808200000000, -0.0007430400000000 ] - [ -0.0000120400000000, -0.0005587900000000, -0.0007543400000000 ] - [ -0.0000614500000000, -0.0004172700000000, -0.0007581800000000 ] - [ -0.0001888800000000, -0.0002280900000000, -0.0006712100000000 ] - [ -0.0002097100000000, 0.0010466400000000, -0.0009003600000000 ] - [ 0.0000205100000000, 0.0006682700000000, -0.0007609200000000 ] - [ -0.0001884900000000, -0.0002353000000000, -0.0001660000000000 ] - [ -0.0012503500000000, 0.0005266200000000, -0.0007707800000000 ] - [ -0.0050828400000000, 0.0033073300000000, 0.0044565300000000 ] - [ -0.0000234300000000, 0.0002809500000000, 0.0006545300000000 ] - [ 0.0007249600000000, 0.0014952600000000, 0.0005420500000000 ] - [ -0.0000685800000000, 0.0005629900000000, 0.0006796000000000 ] - [ 0.0004450800000000, 0.0003148200000000, 0.0002312200000000 ] - [ 0.0001313700000000, 0.0007754200000000, 0.0003240800000000 ] - [ 0.0003703600000000, -0.0001181300000000, 0.0000853400000000 ] - [ 0.0001249700000000, -0.0003267900000000, 0.0001375000000000 ] - [ -0.0006287900000000, -0.0003454800000000, 0.0009545700000000 ] - [ 0.0000459500000000, 0.0001212900000000, -0.0001401300000000 ] - [ -0.0007197800000000, -0.0005352500000000, -0.0014900700000000 ] - [ -0.0000159200000000, 0.0001155600000000, -0.0001535900000000 ] - [ -0.0006810200000000, -0.0017131100000000, -0.0009635600000000 ] - [ 0.0000817900000000, -0.0001534500000000, -0.0001389300000000 ] - [ -0.0001722800000000, 0.0049734100000000, -0.0020723200000000 ] - [ 0.0000100800000000, -0.0000924400000000, -0.0001586200000000 ] - [ 0.0009560600000000, 0.0002640100000000, 0.0000861200000000 ] - [ 0.0064426300000000, 0.0050903600000000, -0.0001263900000000 ] - [ 0.0003278100000000, -0.0003623100000000, 0.0002073800000000 ] - [ 0.0003918200000000, -0.0009877500000000, 0.0001120800000000 ] - [ 0.0008330000000000, -0.0003432600000000, 0.0009740100000000 ] - [ -0.0007265400000000, 0.0004899100000000, 0.0003425000000000 ] - [ -0.0003184200000000, 0.0010508300000000, 0.0001132200000000 ] - [ 0.0014317200000000, -0.0000012300000000, -0.0004313400000000 ] - [ -0.0014984700000000, 0.0041624900000000, 0.0000514600000000 ] - [ 0.0008314900000000, 0.0011308600000000, 0.0000313800000000 ] - [ -0.0006889400000000, -0.0010797600000000, 0.0000091600000000 ] - [ 0.0005316400000000, 0.0000042900000000, -0.0002579300000000 ] - [ -0.0352745800000000, 0.0332395200000000, -0.0110319600000000 ] - [ 0.0006939700000000, 0.0001924100000000, -0.0003271100000000 ] - [ -0.0021148800000000, -0.0049649200000000, 0.0008349300000000 ] - [ 0.0008907900000000, -0.0012413400000000, -0.0000312200000000 ] - [ 0.0013154800000000, -0.0035406200000000, -0.0012547900000000 ] - [ -0.0011941300000000, -0.0013256400000000, -0.0000049100000000 ] - [ -0.0014469100000000, -0.0001776800000000, -0.0002441700000000 ] - [ 0.0032916100000000, -0.0008622400000000, 0.0008287200000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0043145100000000, -0.0035237300000000, -0.0024473000000000 ] - [ -0.0000906200000000, 0.0010147300000000, 0.0000773800000000 ] - [ -0.0002255600000000, 0.0009745800000000, 0.0000864700000000 ] - [ 0.0007778100000000, 0.0001583100000000, -0.0003043500000000 ] - [ -0.0072235300000000, 0.0042320200000000, -0.0002790100000000 ] - [ 0.0006059500000000, 0.0014571900000000, -0.0003582000000000 ] - [ -0.0006407100000000, -0.0007837900000000, 0.0007997500000000 ] - [ -0.0003069800000000, 0.0005259100000000, 0.0001178200000000 ] - [ -0.0001237800000000, -0.0004506500000000, 0.0014322200000000 ] - [ -0.0002077900000000, -0.0006251300000000, 0.0000518100000000 ] - [ -0.0004641800000000, -0.0010503800000000, -0.0003079600000000 ] - [ 0.0003625800000000, -0.0012742100000000, -0.0002887600000000 ] - [ -0.0002986700000000, -0.0014948100000000, 0.0002638500000000 ] - [ 0.0000601400000000, -0.0010136900000000, 0.0001028300000000 ] - [ 0.0002691300000000, -0.0004649300000000, -0.0000153800000000 ] - [ 0.0005690200000000, -0.0003961800000000, -0.0000339500000000 ] - [ 0.0005378600000000, -0.0000288200000000, 0.0001056800000000 ] - [ -0.0002953700000000, 0.0001387100000000, 0.0002213000000000 ] - [ 0.0002714000000000, -0.0001155500000000, -0.0000982400000000 ] - [ 0.0003750300000000, -0.0003466700000000, -0.0002011600000000 ] - [ -0.0000985800000000, -0.0006754300000000, -0.0000955400000000 ] - [ 0.0000568900000000, -0.0002793800000000, 0.0000340800000000 ] - [ -0.0016919300000000, 0.0013287600000000, 0.0013472100000000 ] - [ -0.0000910800000000, -0.0000535300000000, 0.0001021100000000 ] - [ 0.0056594800000000, -0.0068734500000000, 0.0035037000000000 ] - [ 0.0001195800000000, 0.0003174000000000, 0.0000513800000000 ] - [ -0.0024879000000000, -0.0044620900000000, -0.0003635600000000 ] - [ -0.0001038900000000, 0.0000579100000000, 0.0000749300000000 ] - [ 0.0001428600000000, 0.0004902200000000, -0.0001479300000000 ] - [ 0.0013940000000000, 0.0004693000000000, 0.0006293000000000 ] - [ 0.0009278500000000, -0.0007831200000000, -0.0001592700000000 ] - [ 0.0002592200000000, -0.0004038000000000, -0.0001235500000000 ] - [ -0.0363024800000000, 0.0549366400000000, -0.0134545500000000 ] - [ -0.0004948200000000, 0.0007813900000000, 0.0002299700000000 ] - [ -0.0007494800000000, -0.0002761000000000, 0.0003574400000000 ] - [ -0.0003815800000000, 0.0005366200000000, 0.0003637800000000 ] - [ 0.0014508700000000, 0.0006997200000000, -0.0003970600000000 ] - [ -0.0006852800000000, -0.0000028500000000, -0.0007950300000000 ] - [ 0.0006548000000000, 0.0007025600000000, -0.0003444800000000 ] - [ 0.0029653500000000, -0.0000048300000000, 0.0005212600000000 ] - [ 0.0013608900000000, -0.0009850800000000, -0.0001151900000000 ] - [ 0.0004047700000000, -0.0008508900000000, -0.0001761200000000 ] - [ 0.0008526200000000, -0.0006527000000000, -0.0002535100000000 ] - [ 0.0017204800000000, -0.0009844400000000, -0.0006615300000000 ] - [ -0.0010128200000000, -0.0002194400000000, 0.0003362400000000 ] - [ -0.0003797600000000, -0.0005595200000000, 0.0003455200000000 ] - [ -0.0014509100000000, -0.0012833600000000, 0.0001012300000000 ] - [ -0.0006008500000000, -0.0007749800000000, 0.0002362800000000 ] - [ -0.0013256600000000, 0.0010983600000000, 0.0002746900000000 ] - [ 0.0002149100000000, -0.0003665700000000, 0.0006780700000000 ] - [ 0.0001222400000000, -0.0010268500000000, 0.0008138900000000 ] - [ 0.0001658900000000, -0.0005680000000000, 0.0006601900000000 ] - [ 0.0000691100000000, -0.0003037800000000, -0.0006030600000000 ] - [ -0.0001501900000000, -0.0003297300000000, -0.0005927400000000 ] - [ -0.0001014100000000, -0.0004707700000000, -0.0005923400000000 ] - [ 0.0000288500000000, -0.0006562500000000, -0.0006743600000000 ] - [ 0.0000477300000000, -0.0001661600000000, -0.0004458400000000 ] - [ -0.0001800600000000, 0.0002145600000000, -0.0005849000000000 ] - [ 0.0000287100000000, 0.0011264200000000, -0.0011815500000000 ] - [ 0.0010954500000000, 0.0003618900000000, -0.0005759900000000 ] - [ 0.0051429600000000, -0.0023829600000000, -0.0030562400000000 ] - [ 0.0001833700000000, 0.0005992500000000, 0.0006871300000000 ] - [ -0.0005721900000000, -0.0006200000000000, 0.0008062400000000 ] - [ 0.0002287100000000, 0.0003167900000000, 0.0006628900000000 ] - [ -0.0000099200000000, -0.0001079500000000, 0.0000751600000000 ] - [ 0.0003066300000000, -0.0005699800000000, -0.0000177600000000 ] - [ 0.0000657000000000, 0.0003292200000000, 0.0002221700000000 ] - [ 0.0003087500000000, 0.0005374800000000, 0.0001686600000000 ] - [ 0.0001951600000000, 0.0005621200000000, -0.0012561200000000 ] - [ -0.0004865300000000, 0.0000912400000000, -0.0001675200000000 ] - [ 0.0002862100000000, 0.0007477700000000, 0.0011970800000000 ] - [ -0.0004235500000000, 0.0000961200000000, -0.0001532600000000 ] - [ 0.0002484300000000, 0.0015050400000000, 0.0006509400000000 ] - [ -0.0005229700000000, -0.0000559200000000, -0.0001680900000000 ] - [ -0.0003242400000000, -0.0055968500000000, 0.0020594500000000 ] - [ -0.0004505500000000, -0.0001181500000000, -0.0001483500000000 ] - [ -0.0005273600000000, -0.0004825000000000, 0.0002201800000000 ] - [ -0.0058929900000000, -0.0053339400000000, 0.0004317300000000 ] - [ 0.0001088300000000, 0.0001502200000000, 0.0000982900000000 ] - [ 0.0000395100000000, 0.0007801500000000, 0.0001951600000000 ] - [ -0.0009731800000000, 0.0015123000000000, -0.0007985400000000 ] - [ 0.0005926300000000, 0.0006703500000000, -0.0001567800000000 ] - [ 0.0001894200000000, 0.0000965900000000, 0.0000754200000000 ] - [ -0.0015771400000000, 0.0011545600000000, 0.0006219700000000 ] - [ 0.0016373000000000, -0.0030237600000000, -0.0002453700000000 ] - [ -0.0007033800000000, 0.0000215300000000, -0.0002196000000000 ] - [ 0.0008339300000000, 0.0022430800000000, -0.0001951400000000 ] - [ -0.0004029400000000, 0.0011533500000000, 0.0000723000000000 ] - [ 0.0343727300000000, -0.0341924200000000, 0.0107040300000000 ] - [ -0.0005670500000000, -0.0013527100000000, 0.0001427600000000 ] - [ 0.0022783100000000, 0.0038405200000000, -0.0010341100000000 ] - [ -0.0007649400000000, 0.0000870900000000, -0.0001549100000000 ] - [ -0.0014561100000000, 0.0024269300000000, 0.0014618700000000 ] - [ 0.0010571600000000, 0.0001752300000000, 0.0001915400000000 ] - [ 0.0013098800000000, -0.0009960500000000, 0.0004290600000000 ] - [ -0.0034506800000000, -0.0003052900000000, -0.0006501900000000 ]- atom: 33 displacement: [ -0.0000313680234493, 0.0000000000000000, 0.0099999508022342 ] forces: - [ 0.0048670300000000, -0.0036986700000000, -0.0026459200000000 ] - [ 0.0002905400000000, 0.0008328000000000, -0.0001152600000000 ] - [ 0.0001744000000000, 0.0006572800000000, -0.0001652300000000 ] - [ 0.0004422100000000, 0.0003428700000000, -0.0004463100000000 ] - [ -0.0082026300000000, 0.0014803600000000, -0.0012253800000000 ] - [ 0.0002563200000000, 0.0011576500000000, -0.0002482100000000 ] - [ -0.0005201100000000, 0.0004838600000000, 0.0000373100000000 ] - [ 0.0000429300000000, 0.0009093300000000, -0.0000942700000000 ] - [ -0.0003297600000000, -0.0003294500000000, 0.0010895600000000 ] - [ -0.0001518800000000, -0.0007247400000000, 0.0000133500000000 ] - [ -0.0001558500000000, -0.0007871000000000, 0.0000324500000000 ] - [ -0.0000978400000000, -0.0008410500000000, -0.0000524600000000 ] - [ -0.0001268100000000, -0.0012103100000000, 0.0001694500000000 ] - [ 0.0001091600000000, -0.0009201900000000, 0.0002200100000000 ] - [ -0.0000313000000000, -0.0009525200000000, 0.0003536800000000 ] - [ 0.0002105100000000, -0.0008071200000000, 0.0002604700000000 ] - [ 0.0004195400000000, -0.0000694200000000, 0.0000917400000000 ] - [ -0.0006581200000000, -0.0007124800000000, 0.0002522200000000 ] - [ 0.0002748100000000, -0.0000850700000000, -0.0000824900000000 ] - [ 0.0001261400000000, -0.0000643300000000, -0.0001122300000000 ] - [ -0.0003636500000000, 0.0000894200000000, 0.0002106200000000 ] - [ -0.0000719300000000, -0.0001469200000000, 0.0000677500000000 ] - [ -0.0013809800000000, 0.0003805200000000, 0.0019318500000000 ] - [ -0.0001539600000000, -0.0000601200000000, 0.0001093200000000 ] - [ 0.0006536900000000, -0.0027746400000000, -0.0006069400000000 ] - [ -0.0000006600000000, 0.0002160100000000, 0.0000548400000000 ] - [ -0.0002885600000000, 0.0002939200000000, -0.0004415100000000 ] - [ -0.0001395400000000, 0.0000963700000000, 0.0000508000000000 ] - [ 0.0001384800000000, 0.0004104900000000, -0.0001466500000000 ] - [ 0.0029429600000000, -0.0011305100000000, 0.0006795400000000 ] - [ 0.0007222700000000, -0.0005131300000000, -0.0001221000000000 ] - [ 0.0002310500000000, 0.0000656900000000, -0.0000409300000000 ] - [ -0.0113096500000000, 0.0144300900000000, -0.0226034200000000 ] - [ -0.0005828900000000, 0.0007580400000000, 0.0002426000000000 ] - [ -0.0009800700000000, 0.0006302500000000, 0.0001410200000000 ] - [ -0.0005336700000000, 0.0006243900000000, 0.0002998400000000 ] - [ 0.0012766800000000, 0.0006430900000000, -0.0004459200000000 ] - [ 0.0014876600000000, 0.0015001800000000, -0.0002859900000000 ] - [ 0.0004418600000000, 0.0005922600000000, -0.0004472300000000 ] - [ 0.0016369100000000, 0.0001956900000000, -0.0002852400000000 ] - [ 0.0011239300000000, -0.0008706500000000, -0.0001751400000000 ] - [ 0.0006662500000000, -0.0008121700000000, -0.0001618000000000 ] - [ 0.0009003700000000, -0.0007336400000000, -0.0002020900000000 ] - [ 0.0001315100000000, -0.0003273300000000, 0.0001280200000000 ] - [ -0.0010700800000000, -0.0006490600000000, 0.0011563500000000 ] - [ -0.0005869200000000, -0.0006437100000000, 0.0002979000000000 ] - [ -0.0010797200000000, -0.0008855300000000, 0.0003006500000000 ] - [ -0.0007004500000000, -0.0007520000000000, 0.0002570700000000 ] - [ 0.0015045800000000, -0.0010438600000000, 0.0034753600000000 ] - [ 0.0001350600000000, -0.0004462300000000, 0.0006851100000000 ] - [ 0.0000501600000000, -0.0006183600000000, 0.0008299100000000 ] - [ 0.0001279300000000, -0.0004994200000000, 0.0006559900000000 ] - [ -0.0000403500000000, -0.0002660500000000, -0.0005744700000000 ] - [ -0.0000501900000000, -0.0003492500000000, -0.0003360800000000 ] - [ -0.0000748100000000, -0.0004989000000000, -0.0004442000000000 ] - [ -0.0000889200000000, -0.0004374500000000, -0.0004040800000000 ] - [ 0.0000223600000000, 0.0000279000000000, -0.0005894400000000 ] - [ -0.0000631800000000, 0.0004839000000000, -0.0008528800000000 ] - [ -0.0000826600000000, 0.0008929800000000, -0.0011496000000000 ] - [ 0.0000489800000000, 0.0004737600000000, -0.0013304700000000 ] - [ -0.0078661400000000, 0.0053230000000000, -0.0004250500000000 ] - [ 0.0001821600000000, 0.0004936800000000, 0.0006759400000000 ] - [ -0.0001981400000000, -0.0001051900000000, 0.0003930700000000 ] - [ 0.0001694600000000, 0.0003737600000000, 0.0006660000000000 ] - [ 0.0001239100000000, -0.0000320900000000, 0.0000675700000000 ] - [ 0.0001826400000000, -0.0000181200000000, -0.0009894300000000 ] - [ 0.0001229500000000, 0.0002517100000000, 0.0001905500000000 ] - [ 0.0002675500000000, 0.0001805200000000, 0.0000311900000000 ] - [ -0.0001007600000000, 0.0004580500000000, -0.0007738000000000 ] - [ -0.0003869400000000, 0.0000949600000000, -0.0001597900000000 ] - [ -0.0002170600000000, -0.0005477200000000, -0.0009462000000000 ] - [ -0.0003063900000000, 0.0001083500000000, -0.0001519800000000 ] - [ 0.0000248700000000, -0.0007071500000000, 0.0003151400000000 ] - [ -0.0004678900000000, -0.0000693600000000, -0.0001687400000000 ] - [ -0.0004026300000000, -0.0025902100000000, 0.0033783300000000 ] - [ -0.0003237200000000, -0.0001196300000000, -0.0001530000000000 ] - [ -0.0003332000000000, -0.0004366400000000, 0.0002098200000000 ] - [ -0.0007718500000000, -0.0008519700000000, 0.0019501000000000 ] - [ 0.0001050300000000, 0.0000898700000000, 0.0001424600000000 ] - [ 0.0003018400000000, 0.0000888500000000, 0.0003425600000000 ] - [ -0.0004042800000000, 0.0010489400000000, -0.0007195100000000 ] - [ 0.0004445900000000, 0.0010289400000000, -0.0003364100000000 ] - [ -0.0002230900000000, 0.0004227100000000, -0.0001700500000000 ] - [ 0.0005239300000000, 0.0003206300000000, 0.0000196900000000 ] - [ 0.0017773000000000, -0.0001519400000000, -0.0048912800000000 ] - [ -0.0002994600000000, 0.0003697000000000, -0.0002592800000000 ] - [ 0.0006597600000000, 0.0008991400000000, -0.0004018800000000 ] - [ -0.0001752900000000, 0.0007202200000000, -0.0001420300000000 ] - [ 0.0186978600000000, -0.0095373700000000, 0.0213327300000000 ] - [ -0.0004775400000000, -0.0008745900000000, 0.0001349200000000 ] - [ 0.0003577300000000, 0.0001016700000000, 0.0003698400000000 ] - [ -0.0004544000000000, -0.0003839100000000, 0.0000184100000000 ] - [ -0.0005858900000000, 0.0015735300000000, 0.0015416800000000 ] - [ -0.0007560800000000, -0.0010243500000000, 0.0001296300000000 ] - [ 0.0015032700000000, -0.0002670100000000, 0.0006254600000000 ] - [ -0.0022332800000000, 0.0007612900000000, 0.0008925500000000 ]- atom: 33 displacement: [ 0.0000313680234493, 0.0000000000000000, -0.0099999508022342 ] forces: - [ -0.0045727800000000, 0.0052916300000000, 0.0026899500000000 ] - [ -0.0000438800000000, 0.0008092300000000, 0.0001999700000000 ] - [ 0.0000702100000000, 0.0009873400000000, 0.0002521200000000 ] - [ -0.0001940700000000, 0.0012965400000000, 0.0005288300000000 ] - [ 0.0079087200000000, 0.0001391200000000, 0.0011161400000000 ] - [ -0.0004992600000000, 0.0004883100000000, 0.0001577900000000 ] - [ 0.0002686800000000, 0.0011537600000000, -0.0001241600000000 ] - [ -0.0002882100000000, 0.0007334400000000, 0.0000056400000000 ] - [ 0.0000781500000000, -0.0013080600000000, -0.0011534100000000 ] - [ -0.0000933300000000, -0.0009176800000000, -0.0001018900000000 ] - [ -0.0000929600000000, -0.0008574800000000, -0.0001215200000000 ] - [ -0.0001459600000000, -0.0008030100000000, -0.0000370000000000 ] - [ 0.0003698600000000, -0.0004397500000000, -0.0000814200000000 ] - [ 0.0001368100000000, -0.0007221100000000, -0.0001354300000000 ] - [ 0.0002698300000000, -0.0006927000000000, -0.0002673100000000 ] - [ 0.0000381900000000, -0.0008357400000000, -0.0001746200000000 ] - [ 0.0000327600000000, -0.0000491900000000, -0.0002575500000000 ] - [ 0.0011114500000000, 0.0005970500000000, -0.0004197900000000 ] - [ 0.0001736500000000, -0.0000360900000000, -0.0000848300000000 ] - [ 0.0003210700000000, -0.0000578100000000, -0.0000550700000000 ] - [ -0.0000864600000000, -0.0002116000000000, -0.0000473100000000 ] - [ -0.0003793300000000, 0.0000297700000000, 0.0000960600000000 ] - [ 0.0009167400000000, -0.0004992100000000, -0.0017544800000000 ] - [ -0.0002966500000000, -0.0000581100000000, 0.0000540900000000 ] - [ -0.0011250200000000, 0.0029018000000000, 0.0007930900000000 ] - [ -0.0004462400000000, -0.0000958200000000, 0.0001097200000000 ] - [ -0.0001646300000000, -0.0001769900000000, 0.0006080700000000 ] - [ -0.0003110700000000, 0.0000205300000000, 0.0001141700000000 ] - [ 0.0003096800000000, -0.0002862100000000, -0.0000217200000000 ] - [ -0.0024660800000000, 0.0012407400000000, -0.0008423500000000 ] - [ -0.0002670300000000, 0.0006273800000000, -0.0000454900000000 ] - [ 0.0002189600000000, 0.0000533300000000, -0.0001264900000000 ] - [ 0.0096037900000000, -0.0126518300000000, 0.0229604100000000 ] - [ -0.0010643300000000, 0.0007306700000000, 0.0002420200000000 ] - [ -0.0006638100000000, 0.0008537100000000, 0.0003462600000000 ] - [ -0.0011117300000000, 0.0008622700000000, 0.0001859000000000 ] - [ 0.0003790200000000, 0.0008461900000000, -0.0000446800000000 ] - [ 0.0001568300000000, -0.0000096700000000, -0.0002071800000000 ] - [ 0.0012122100000000, 0.0008999200000000, -0.0000405900000000 ] - [ 0.0000103900000000, 0.0012888800000000, -0.0002071900000000 ] - [ 0.0005307800000000, -0.0006203000000000, -0.0003113500000000 ] - [ 0.0009703700000000, -0.0006712300000000, -0.0003304900000000 ] - [ 0.0007457600000000, -0.0007531000000000, -0.0002869100000000 ] - [ 0.0015259300000000, -0.0011665800000000, -0.0006162400000000 ] - [ -0.0005761400000000, -0.0008325900000000, -0.0006653600000000 ] - [ -0.0010597400000000, -0.0008457000000000, 0.0001877500000000 ] - [ -0.0005696400000000, -0.0006060000000000, 0.0001856900000000 ] - [ -0.0009448900000000, -0.0007372000000000, 0.0002288300000000 ] - [ -0.0013854500000000, 0.0001617100000000, -0.0021659900000000 ] - [ 0.0000267500000000, -0.0004412700000000, 0.0006611300000000 ] - [ 0.0001086700000000, -0.0002698700000000, 0.0005158400000000 ] - [ 0.0000323400000000, -0.0003848200000000, 0.0006862400000000 ] - [ -0.0001195200000000, -0.0006165300000000, -0.0007725100000000 ] - [ -0.0001101600000000, -0.0005365100000000, -0.0010124400000000 ] - [ -0.0000871900000000, -0.0003897700000000, -0.0009069100000000 ] - [ -0.0000712200000000, -0.0004472400000000, -0.0009429400000000 ] - [ -0.0001830200000000, 0.0008569400000000, -0.0007596900000000 ] - [ -0.0000973800000000, 0.0004018500000000, -0.0004951600000000 ] - [ -0.0000765800000000, -0.0000010200000000, -0.0002018800000000 ] - [ -0.0002090500000000, 0.0004132700000000, -0.0000202500000000 ] - [ 0.0079708400000000, -0.0043508100000000, 0.0017919400000000 ] - [ -0.0000221200000000, 0.0003874200000000, 0.0006641500000000 ] - [ 0.0003549200000000, 0.0009857100000000, 0.0009481500000000 ] - [ -0.0000091600000000, 0.0005074700000000, 0.0006753200000000 ] - [ 0.0003127700000000, 0.0002398200000000, 0.0002372400000000 ] - [ 0.0002482900000000, 0.0002256700000000, 0.0012921200000000 ] - [ 0.0003130600000000, -0.0000399900000000, 0.0001155200000000 ] - [ 0.0001695100000000, 0.0000300700000000, 0.0002737100000000 ] - [ -0.0003295700000000, -0.0002482400000000, 0.0004593600000000 ] - [ -0.0000542700000000, 0.0001181500000000, -0.0001494900000000 ] - [ -0.0002186400000000, 0.0007696600000000, 0.0006378800000000 ] - [ -0.0001332100000000, 0.0001043700000000, -0.0001566500000000 ] - [ -0.0004582600000000, 0.0004975300000000, -0.0006189100000000 ] - [ 0.0000264700000000, -0.0001395800000000, -0.0001398400000000 ] - [ -0.0000516800000000, 0.0022157000000000, -0.0036190300000000 ] - [ -0.0001169700000000, -0.0000899500000000, -0.0001555000000000 ] - [ 0.0007634600000000, 0.0002202300000000, 0.0000957000000000 ] - [ 0.0011400700000000, 0.0006018900000000, -0.0016337700000000 ] - [ 0.0003305300000000, -0.0003015500000000, 0.0001620800000000 ] - [ 0.0001360600000000, -0.0002999100000000, -0.0000363600000000 ] - [ 0.0002635600000000, 0.0001154300000000, 0.0008932800000000 ] - [ -0.0005797100000000, 0.0001218200000000, 0.0005219000000000 ] - [ 0.0000925100000000, 0.0007332800000000, 0.0003512000000000 ] - [ -0.0006663300000000, 0.0008399000000000, 0.0001641100000000 ] - [ -0.0016067100000000, 0.0012770100000000, 0.0046875400000000 ] - [ 0.0004266100000000, 0.0007842500000000, 0.0000697400000000 ] - [ -0.0005176100000000, 0.0002631000000000, 0.0002129000000000 ] - [ 0.0003039300000000, 0.0004372800000000, -0.0000451100000000 ] - [ -0.0182913400000000, 0.0082745700000000, -0.0212805800000000 ] - [ 0.0006040100000000, -0.0002835800000000, -0.0003210800000000 ] - [ -0.0002180100000000, -0.0012486400000000, -0.0005581100000000 ] - [ 0.0005815200000000, -0.0007701400000000, -0.0002062000000000 ] - [ 0.0004419800000000, -0.0027005400000000, -0.0013393600000000 ] - [ 0.0006204000000000, -0.0001312600000000, 0.0000559500000000 ] - [ -0.0016372000000000, -0.0008956800000000, -0.0004351300000000 ] - [ 0.0020855000000000, -0.0019070400000000, -0.0007008300000000 ]- atom: 49 displacement: [ 0.0099997061045471, 0.0000000000000000, 0.0000766669595341 ] forces: - [ -0.0000145300000000, 0.0009488900000000, 0.0002080700000000 ] - [ 0.0003434200000000, 0.0007586000000000, 0.0000375600000000 ] - [ -0.0003964600000000, 0.0014347000000000, 0.0001318400000000 ] - [ 0.0004176800000000, 0.0005259300000000, -0.0000157500000000 ] - [ -0.0005385900000000, 0.0012498300000000, 0.0006358200000000 ] - [ 0.0002160300000000, 0.0010385400000000, -0.0001544000000000 ] - [ -0.0004158000000000, 0.0004458800000000, 0.0002047700000000 ] - [ 0.0000558100000000, 0.0009151900000000, -0.0001072700000000 ] - [ -0.0003631700000000, -0.0047903200000000, 0.0010398200000000 ] - [ 0.0001373200000000, -0.0009658600000000, -0.0001255500000000 ] - [ -0.0013526100000000, -0.0001665700000000, 0.0002696400000000 ] - [ 0.0004974400000000, -0.0012942100000000, -0.0003163800000000 ] - [ -0.0002239300000000, -0.0011826400000000, 0.0002785800000000 ] - [ 0.0003489200000000, -0.0006075100000000, -0.0001411600000000 ] - [ 0.0062614000000000, 0.0003023500000000, 0.0052977600000000 ] - [ 0.0007426900000000, -0.0004997000000000, -0.0002036100000000 ] - [ 0.0004067800000000, -0.0003219800000000, -0.0001680000000000 ] - [ 0.0008633200000000, 0.0006487000000000, -0.0000691100000000 ] - [ 0.0012241300000000, 0.0011136400000000, -0.0002559500000000 ] - [ 0.0003317500000000, -0.0003303800000000, 0.0000027700000000 ] - [ -0.0006193100000000, 0.0000834900000000, 0.0000435000000000 ] - [ 0.0000608900000000, -0.0002311600000000, 0.0000696400000000 ] - [ -0.0024925800000000, 0.0001292600000000, -0.0093468700000000 ] - [ 0.0001579700000000, -0.0002577800000000, 0.0000701000000000 ] - [ -0.0014222100000000, -0.0005539300000000, 0.0008172000000000 ] - [ 0.0000526100000000, 0.0002051800000000, 0.0000515400000000 ] - [ -0.0011542900000000, -0.0013025000000000, 0.0007861600000000 ] - [ 0.0001177000000000, 0.0002282300000000, 0.0000416000000000 ] - [ 0.0004243700000000, 0.0001065200000000, 0.0001678900000000 ] - [ 0.0005036300000000, -0.0000839100000000, -0.0002312900000000 ] - [ 0.0003465800000000, 0.0000421500000000, -0.0000842500000000 ] - [ 0.0002119200000000, 0.0000003900000000, -0.0000988500000000 ] - [ -0.0027546800000000, 0.0021550700000000, 0.0017166000000000 ] - [ -0.0003231100000000, 0.0006101500000000, 0.0002983500000000 ] - [ -0.0012512000000000, 0.0006969500000000, 0.0002151300000000 ] - [ -0.0003813800000000, 0.0006574000000000, 0.0002921300000000 ] - [ 0.0009759800000000, 0.0007263600000000, -0.0002348700000000 ] - [ 0.0008150900000000, 0.0008523900000000, -0.0002514000000000 ] - [ 0.0011845000000000, 0.0008961100000000, -0.0002007700000000 ] - [ 0.0010116800000000, 0.0006757500000000, -0.0002112400000000 ] - [ 0.0012168700000000, -0.0008775300000000, -0.0001376200000000 ] - [ 0.0008352400000000, -0.0006431700000000, -0.0002301800000000 ] - [ 0.0016604500000000, -0.0008483700000000, -0.0002476900000000 ] - [ 0.0036467700000000, -0.0019254200000000, -0.0001114800000000 ] - [ -0.0024963700000000, 0.0043785300000000, -0.0077175800000000 ] - [ -0.0002231800000000, -0.0006414900000000, 0.0003470600000000 ] - [ -0.0016274600000000, -0.0013928900000000, -0.0000386200000000 ] - [ -0.0002707900000000, -0.0005967900000000, 0.0003340100000000 ] - [ -0.0295733100000000, 0.0165128700000000, -0.0122777900000000 ] - [ 0.0003106900000000, -0.0004529500000000, 0.0006813900000000 ] - [ -0.0001494400000000, -0.0004919600000000, 0.0006717800000000 ] - [ 0.0002432300000000, -0.0004872900000000, 0.0006809400000000 ] - [ 0.0000634800000000, -0.0007686400000000, -0.0007082100000000 ] - [ 0.0001107200000000, -0.0002729700000000, -0.0007075100000000 ] - [ 0.0000548000000000, 0.0001354800000000, -0.0000551200000000 ] - [ 0.0001132900000000, -0.0006558900000000, -0.0009145900000000 ] - [ -0.0000876300000000, 0.0003828900000000, -0.0007550100000000 ] - [ -0.0000547300000000, 0.0004400500000000, -0.0006228700000000 ] - [ -0.0000256200000000, 0.0003917200000000, -0.0009278800000000 ] - [ 0.0001351600000000, 0.0003773600000000, -0.0004858800000000 ] - [ -0.0005120300000000, -0.0003970100000000, 0.0025387700000000 ] - [ 0.0002192500000000, 0.0004810300000000, 0.0006607100000000 ] - [ -0.0002537700000000, 0.0002536700000000, 0.0007278800000000 ] - [ 0.0002443300000000, 0.0004655700000000, 0.0006640700000000 ] - [ -0.0006102100000000, 0.0005292500000000, 0.0000369800000000 ] - [ -0.0010041300000000, -0.0003274700000000, 0.0008180400000000 ] - [ -0.0000222200000000, -0.0000639200000000, 0.0000171100000000 ] - [ 0.0002858600000000, 0.0002748300000000, 0.0002431200000000 ] - [ 0.0004557800000000, -0.0006159100000000, -0.0002381000000000 ] - [ -0.0005430000000000, 0.0001032100000000, -0.0001628800000000 ] - [ 0.0032683600000000, -0.0020834600000000, -0.0005157100000000 ] - [ -0.0007541800000000, 0.0000447100000000, -0.0001688600000000 ] - [ 0.0001778800000000, 0.0000287100000000, -0.0001516300000000 ] - [ -0.0004648100000000, -0.0000875200000000, -0.0001538600000000 ] - [ 0.0002190200000000, 0.0000064400000000, -0.0000967800000000 ] - [ -0.0005877800000000, -0.0000938800000000, -0.0001630600000000 ] - [ -0.0000688400000000, 0.0000261100000000, 0.0002186100000000 ] - [ -0.0000316300000000, -0.0004234800000000, -0.0002067900000000 ] - [ 0.0000164800000000, -0.0002488500000000, 0.0003041200000000 ] - [ 0.0002627000000000, 0.0000769600000000, 0.0000539300000000 ] - [ -0.0008053300000000, 0.0016571600000000, 0.0002590900000000 ] - [ -0.0007719600000000, -0.0000605700000000, 0.0002357200000000 ] - [ -0.0017851900000000, -0.0031016600000000, 0.0010000400000000 ] - [ -0.0024418000000000, 0.0017125400000000, 0.0000978700000000 ] - [ 0.0243335700000000, -0.0106220200000000, 0.0225323500000000 ] - [ -0.0011435300000000, 0.0005048300000000, -0.0000047700000000 ] - [ 0.0016884800000000, 0.0008292700000000, -0.0003156000000000 ] - [ -0.0008860500000000, 0.0007539800000000, 0.0000639700000000 ] - [ 0.0047610900000000, -0.0035134500000000, -0.0046064100000000 ] - [ -0.0008255400000000, -0.0006551500000000, -0.0000284400000000 ] - [ 0.0018257200000000, 0.0002421100000000, -0.0004348400000000 ] - [ -0.0008369200000000, -0.0005365300000000, -0.0000769700000000 ] - [ -0.0000747200000000, -0.0002537100000000, -0.0000393300000000 ] - [ -0.0003204200000000, -0.0006700400000000, 0.0001509800000000 ] - [ -0.0000683300000000, -0.0013265000000000, -0.0006683200000000 ] - [ -0.0008340700000000, -0.0003319900000000, 0.0001720900000000 ]- atom: 49 displacement: [ -0.0099997061045471, 0.0000000000000000, -0.0000766669595341 ] forces: - [ 0.0002689700000000, 0.0006850900000000, -0.0001237200000000 ] - [ -0.0000982900000000, 0.0008842600000000, 0.0000499700000000 ] - [ 0.0006429500000000, 0.0002080600000000, -0.0000415900000000 ] - [ -0.0001725700000000, 0.0011172600000000, 0.0001044200000000 ] - [ 0.0002976300000000, 0.0004115300000000, -0.0007134900000000 ] - [ -0.0004626600000000, 0.0006051800000000, 0.0000670400000000 ] - [ 0.0001670200000000, 0.0011923000000000, -0.0002892500000000 ] - [ -0.0003033400000000, 0.0007265400000000, 0.0000208100000000 ] - [ 0.0001501900000000, 0.0031584300000000, -0.0011481700000000 ] - [ -0.0003843500000000, -0.0006764100000000, 0.0000387700000000 ] - [ 0.0011117200000000, -0.0014783900000000, -0.0003607900000000 ] - [ -0.0007412200000000, -0.0003513300000000, 0.0002277000000000 ] - [ 0.0004687400000000, -0.0004662500000000, -0.0001896100000000 ] - [ -0.0001045400000000, -0.0010363700000000, 0.0002278200000000 ] - [ -0.0061921700000000, -0.0019819600000000, -0.0053630800000000 ] - [ -0.0004946500000000, -0.0011426600000000, 0.0002890900000000 ] - [ 0.0000447800000000, 0.0002096400000000, 0.0000015700000000 ] - [ -0.0004124100000000, -0.0007645100000000, -0.0000974700000000 ] - [ -0.0007836100000000, -0.0012435600000000, 0.0000916800000000 ] - [ 0.0001153500000000, 0.0002073400000000, -0.0001682000000000 ] - [ 0.0001708000000000, -0.0002105700000000, 0.0001203900000000 ] - [ -0.0005131900000000, 0.0001143200000000, 0.0000960100000000 ] - [ 0.0019925100000000, -0.0002646400000000, 0.0095002500000000 ] - [ -0.0006106300000000, 0.0001406500000000, 0.0000947800000000 ] - [ 0.0009639400000000, 0.0006724000000000, -0.0006436200000000 ] - [ -0.0005014300000000, -0.0000864600000000, 0.0001148300000000 ] - [ 0.0006994100000000, 0.0014143800000000, -0.0006157500000000 ] - [ -0.0005703500000000, -0.0001129900000000, 0.0001257000000000 ] - [ 0.0000239500000000, 0.0000174900000000, -0.0003349700000000 ] - [ -0.0000567100000000, 0.0002040500000000, 0.0000660800000000 ] - [ 0.0001050800000000, 0.0000742600000000, -0.0000815900000000 ] - [ 0.0002368000000000, 0.0001182400000000, -0.0000669100000000 ] - [ 0.0011007400000000, -0.0006588900000000, -0.0012030900000000 ] - [ -0.0013279300000000, 0.0008794000000000, 0.0001876300000000 ] - [ -0.0003920600000000, 0.0007867800000000, 0.0002750100000000 ] - [ -0.0012671300000000, 0.0008299500000000, 0.0001948300000000 ] - [ 0.0006778400000000, 0.0007649200000000, -0.0002515800000000 ] - [ 0.0008261300000000, 0.0006354000000000, -0.0002370800000000 ] - [ 0.0004713000000000, 0.0005967600000000, -0.0002835500000000 ] - [ 0.0006299600000000, 0.0008125200000000, -0.0002769300000000 ] - [ 0.0004403800000000, -0.0006151400000000, -0.0003464700000000 ] - [ 0.0008014400000000, -0.0008413300000000, -0.0002610300000000 ] - [ -0.0000191100000000, -0.0006377300000000, -0.0002395000000000 ] - [ -0.0019682300000000, 0.0004223100000000, -0.0003758800000000 ] - [ 0.0008659200000000, -0.0057882400000000, 0.0081475000000000 ] - [ -0.0014264300000000, -0.0008487600000000, 0.0001396500000000 ] - [ -0.0000213000000000, -0.0000977700000000, 0.0005247000000000 ] - [ -0.0013774600000000, -0.0008938600000000, 0.0001528500000000 ] - [ 0.0296673700000000, -0.0171157700000000, 0.0136147200000000 ] - [ -0.0001544900000000, -0.0004337600000000, 0.0006658200000000 ] - [ 0.0003083000000000, -0.0003961400000000, 0.0006733400000000 ] - [ -0.0000839000000000, -0.0003970300000000, 0.0006629800000000 ] - [ -0.0002194900000000, -0.0001188600000000, -0.0006406900000000 ] - [ -0.0002732000000000, -0.0006134800000000, -0.0006402600000000 ] - [ -0.0002179900000000, -0.0010281400000000, -0.0013006100000000 ] - [ -0.0002740100000000, -0.0002292500000000, -0.0004334500000000 ] - [ -0.0000736700000000, 0.0005026400000000, -0.0005926500000000 ] - [ -0.0001066300000000, 0.0004445100000000, -0.0007222100000000 ] - [ -0.0001341400000000, 0.0004955500000000, -0.0004137500000000 ] - [ -0.0002957800000000, 0.0005081400000000, -0.0008578300000000 ] - [ 0.0006619500000000, 0.0012730600000000, -0.0011625900000000 ] - [ -0.0000605600000000, 0.0003990200000000, 0.0006804200000000 ] - [ 0.0004129400000000, 0.0006306600000000, 0.0006188400000000 ] - [ -0.0000854600000000, 0.0004152600000000, 0.0006786400000000 ] - [ 0.0010472700000000, -0.0003261700000000, 0.0002720000000000 ] - [ 0.0014370100000000, 0.0005310900000000, -0.0005010600000000 ] - [ 0.0004577400000000, 0.0002769300000000, 0.0002908200000000 ] - [ 0.0001515900000000, -0.0000643600000000, 0.0000648000000000 ] - [ -0.0008879200000000, 0.0008294500000000, -0.0000673000000000 ] - [ 0.0001024400000000, 0.0001092000000000, -0.0001439300000000 ] - [ -0.0036569200000000, 0.0021521800000000, 0.0002024400000000 ] - [ 0.0003167400000000, 0.0001679700000000, -0.0001378100000000 ] - [ -0.0006115000000000, -0.0002337100000000, -0.0001566900000000 ] - [ 0.0000247100000000, -0.0001217200000000, -0.0001528200000000 ] - [ -0.0006534300000000, -0.0002199400000000, -0.0002205700000000 ] - [ 0.0001486400000000, -0.0001159000000000, -0.0001436100000000 ] - [ 0.0005034000000000, -0.0002417500000000, 0.0000870200000000 ] - [ 0.0004668500000000, 0.0002072900000000, 0.0005092800000000 ] - [ 0.0004188000000000, 0.0000373600000000, 0.0000009900000000 ] - [ 0.0001743900000000, -0.0002889700000000, 0.0002522900000000 ] - [ 0.0006515800000000, -0.0004939900000000, -0.0000687300000000 ] - [ 0.0006379400000000, 0.0012121900000000, -0.0000467000000000 ] - [ 0.0016533200000000, 0.0042778600000000, -0.0008189000000000 ] - [ 0.0022904500000000, -0.0005477800000000, 0.0000887900000000 ] - [ -0.0239532800000000, 0.0116664500000000, -0.0224561800000000 ] - [ 0.0012747400000000, 0.0006481100000000, -0.0001820300000000 ] - [ -0.0015539900000000, 0.0003336600000000, 0.0001319200000000 ] - [ 0.0010177600000000, 0.0004043900000000, -0.0002489600000000 ] - [ -0.0045768500000000, 0.0023194100000000, 0.0043625900000000 ] - [ 0.0009567200000000, -0.0005021300000000, -0.0001575300000000 ] - [ -0.0016903000000000, -0.0013889700000000, 0.0002421600000000 ] - [ 0.0009687200000000, -0.0006174700000000, -0.0001105600000000 ] - [ -0.0000682300000000, -0.0008911400000000, 0.0002265300000000 ] - [ 0.0001889700000000, -0.0004834900000000, 0.0000349300000000 ] - [ -0.0000823000000000, 0.0001600700000000, 0.0008574700000000 ] - [ 0.0007019200000000, -0.0008241300000000, 0.0000129000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010567300000000, 0.0018666600000000, 0.0004934100000000 ] - [ 0.0002022800000000, 0.0007861500000000, 0.0000522300000000 ] - [ 0.0004169400000000, 0.0006090800000000, -0.0005125100000000 ] - [ -0.0000210500000000, 0.0009041200000000, -0.0000088300000000 ] - [ -0.0008120700000000, -0.0021991400000000, -0.0000974500000000 ] - [ -0.0002768500000000, 0.0006435500000000, 0.0000501900000000 ] - [ 0.0004026400000000, 0.0020174200000000, -0.0006700100000000 ] - [ -0.0000372700000000, 0.0009794800000000, -0.0001261200000000 ] - [ -0.0061301700000000, 0.0098206800000000, -0.0034705300000000 ] - [ -0.0000533200000000, -0.0009481100000000, -0.0001099900000000 ] - [ 0.0009111300000000, 0.0022578500000000, 0.0010059600000000 ] - [ -0.0004154000000000, -0.0005059900000000, 0.0001395700000000 ] - [ 0.0007891800000000, 0.0003367200000000, -0.0005081600000000 ] - [ 0.0002002600000000, -0.0006188500000000, -0.0000425300000000 ] - [ 0.0013785700000000, -0.0036902100000000, 0.0030077600000000 ] - [ -0.0001444700000000, -0.0011547400000000, 0.0002584400000000 ] - [ -0.0001829700000000, -0.0006766800000000, -0.0000432900000000 ] - [ 0.0005920600000000, -0.0000437100000000, -0.0000007200000000 ] - [ 0.0010660000000000, 0.0011515900000000, -0.0002552500000000 ] - [ -0.0001194700000000, 0.0000485500000000, -0.0000961000000000 ] - [ -0.0007909800000000, 0.0013778000000000, 0.0001708000000000 ] - [ -0.0004158300000000, 0.0001220200000000, 0.0000942900000000 ] - [ -0.0006929800000000, -0.0044434400000000, 0.0103466700000000 ] - [ -0.0001661100000000, -0.0001580100000000, 0.0001152900000000 ] - [ 0.0001043400000000, 0.0002292800000000, -0.0000280600000000 ] - [ -0.0003919900000000, -0.0000541800000000, 0.0001193600000000 ] - [ 0.0003789400000000, 0.0025289900000000, -0.0016551500000000 ] - [ -0.0001580200000000, 0.0001282700000000, 0.0000168600000000 ] - [ 0.0002593800000000, -0.0003540800000000, -0.0001197400000000 ] - [ 0.0003679300000000, -0.0002785400000000, -0.0001387700000000 ] - [ -0.0001427800000000, 0.0006148100000000, 0.0000105400000000 ] - [ 0.0001391100000000, 0.0002934500000000, -0.0000566300000000 ] - [ 0.0004663500000000, -0.0007876900000000, -0.0003564500000000 ] - [ -0.0008822200000000, 0.0006692300000000, 0.0002401000000000 ] - [ -0.0010719700000000, 0.0013243800000000, 0.0000705100000000 ] - [ -0.0009647300000000, 0.0008709900000000, 0.0001854600000000 ] - [ 0.0005958900000000, 0.0007733300000000, -0.0001895300000000 ] - [ 0.0012812000000000, 0.0009589200000000, -0.0002479300000000 ] - [ 0.0005691100000000, 0.0006096100000000, -0.0004181000000000 ] - [ 0.0004543300000000, 0.0006320400000000, -0.0003387100000000 ] - [ -0.0003501000000000, -0.0001362000000000, -0.0006629300000000 ] - [ 0.0010676700000000, -0.0005156200000000, -0.0002034600000000 ] - [ 0.0020025100000000, -0.0014196300000000, 0.0002040000000000 ] - [ -0.0010366700000000, -0.0006580700000000, -0.0002196500000000 ] - [ 0.0023222300000000, 0.0021228900000000, -0.0046328800000000 ] - [ -0.0010557500000000, -0.0009037000000000, 0.0001895200000000 ] - [ -0.0004304500000000, 0.0003112600000000, 0.0007885400000000 ] - [ -0.0007653800000000, -0.0006209200000000, 0.0003106900000000 ] - [ 0.0165609500000000, -0.0573505100000000, 0.0405422600000000 ] - [ 0.0000702100000000, -0.0005545300000000, 0.0006996800000000 ] - [ 0.0000346100000000, 0.0004696000000000, 0.0005205600000000 ] - [ 0.0000346900000000, -0.0003296600000000, 0.0006508200000000 ] - [ -0.0006618700000000, -0.0002223200000000, -0.0008014400000000 ] - [ 0.0001313800000000, -0.0003615100000000, -0.0006280200000000 ] - [ 0.0002346600000000, -0.0002195900000000, 0.0003538000000000 ] - [ -0.0002521300000000, -0.0003590200000000, -0.0005091600000000 ] - [ -0.0001416600000000, 0.0009653800000000, -0.0005182100000000 ] - [ -0.0000818100000000, 0.0005768800000000, -0.0007150700000000 ] - [ -0.0001274500000000, 0.0000465500000000, -0.0012288800000000 ] - [ -0.0001453200000000, 0.0003356200000000, -0.0007758400000000 ] - [ 0.0009225100000000, 0.0017685300000000, -0.0005663100000000 ] - [ 0.0000378400000000, 0.0003772700000000, 0.0006786400000000 ] - [ 0.0002702500000000, 0.0006095900000000, 0.0003855900000000 ] - [ 0.0000539500000000, 0.0004801900000000, 0.0006601000000000 ] - [ 0.0004149100000000, 0.0006953700000000, 0.0000499200000000 ] - [ -0.0003467900000000, 0.0010384600000000, -0.0000296900000000 ] - [ 0.0001680200000000, -0.0003869900000000, 0.0000341000000000 ] - [ 0.0003740200000000, -0.0002701000000000, 0.0000821700000000 ] - [ -0.0009015000000000, -0.0013714400000000, -0.0004224000000000 ] - [ 0.0000241700000000, 0.0001223500000000, -0.0001413800000000 ] - [ -0.0022684100000000, 0.0051966200000000, 0.0002286000000000 ] - [ -0.0003802800000000, 0.0000999900000000, -0.0001702300000000 ] - [ -0.0005075600000000, -0.0009703900000000, -0.0000638600000000 ] - [ -0.0000635400000000, -0.0001575800000000, -0.0001496200000000 ] - [ -0.0003863700000000, 0.0004442500000000, 0.0000796200000000 ] - [ -0.0001887500000000, -0.0000662800000000, -0.0001495000000000 ] - [ 0.0004955500000000, 0.0002333200000000, 0.0001453300000000 ] - [ -0.0000078400000000, 0.0002014400000000, 0.0002031900000000 ] - [ 0.0001700000000000, -0.0004111200000000, 0.0003712600000000 ] - [ 0.0004395600000000, -0.0003706600000000, 0.0002823500000000 ] - [ 0.0035733100000000, -0.0016011600000000, 0.0000762600000000 ] - [ -0.0005804300000000, 0.0002571000000000, 0.0000432300000000 ] - [ -0.0046572600000000, -0.0000798800000000, -0.0007159500000000 ] - [ 0.0015056600000000, 0.0002741000000000, 0.0000087200000000 ] - [ -0.0097491600000000, 0.0406199600000000, -0.0448875800000000 ] - [ 0.0003079200000000, 0.0010181900000000, -0.0000895800000000 ] - [ -0.0000861300000000, -0.0034400000000000, -0.0012782800000000 ] - [ 0.0001873800000000, 0.0000865700000000, -0.0002222100000000 ] - [ -0.0021247200000000, 0.0050099400000000, 0.0031910000000000 ] - [ 0.0002123500000000, -0.0002513700000000, -0.0001480800000000 ] - [ -0.0011540100000000, -0.0036037300000000, 0.0014992700000000 ] - [ 0.0002337500000000, -0.0009185600000000, 0.0000279400000000 ] - [ 0.0003267600000000, -0.0022004900000000, -0.0001300500000000 ] - [ -0.0004371700000000, -0.0010190000000000, 0.0001327400000000 ] - [ 0.0007512100000000, 0.0009422800000000, 0.0005782800000000 ] - [ 0.0003121600000000, -0.0001752700000000, 0.0001552300000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013148700000000, -0.0002338600000000, -0.0004100100000000 ] - [ 0.0000427400000000, 0.0008576700000000, 0.0000343400000000 ] - [ -0.0001745700000000, 0.0010408100000000, 0.0006055600000000 ] - [ 0.0002663000000000, 0.0007423600000000, 0.0000973800000000 ] - [ 0.0005714600000000, 0.0038559000000000, 0.0000218100000000 ] - [ 0.0000303900000000, 0.0010010900000000, -0.0001371500000000 ] - [ -0.0006514100000000, -0.0003821500000000, 0.0005874900000000 ] - [ -0.0002099300000000, 0.0006635400000000, 0.0000398800000000 ] - [ 0.0057317400000000, -0.0111626400000000, 0.0032872700000000 ] - [ -0.0001936400000000, -0.0006920700000000, 0.0000233500000000 ] - [ -0.0011754800000000, -0.0039403100000000, -0.0011052300000000 ] - [ 0.0001690100000000, -0.0011342400000000, -0.0002262100000000 ] - [ -0.0005453600000000, -0.0019833100000000, 0.0005958500000000 ] - [ 0.0000442800000000, -0.0010250000000000, 0.0001307200000000 ] - [ -0.0011009600000000, 0.0020892500000000, -0.0029132200000000 ] - [ 0.0003898500000000, -0.0004863200000000, -0.0001722100000000 ] - [ 0.0006316200000000, 0.0005530000000000, -0.0001230900000000 ] - [ -0.0001478000000000, -0.0000792900000000, -0.0001651300000000 ] - [ -0.0006207300000000, -0.0012750800000000, 0.0000904400000000 ] - [ 0.0005717300000000, -0.0001661600000000, -0.0000704800000000 ] - [ 0.0003493900000000, -0.0015102200000000, -0.0000084000000000 ] - [ -0.0000380000000000, -0.0002361100000000, 0.0000714300000000 ] - [ 0.0002662100000000, 0.0043732300000000, -0.0101726400000000 ] - [ -0.0002864400000000, 0.0000427500000000, 0.0000497300000000 ] - [ -0.0005625100000000, -0.0001198200000000, 0.0002021200000000 ] - [ -0.0000580700000000, 0.0001736000000000, 0.0000473700000000 ] - [ -0.0008287700000000, -0.0024300300000000, 0.0018407600000000 ] - [ -0.0002945200000000, -0.0000107000000000, 0.0001502500000000 ] - [ 0.0001887900000000, 0.0004815800000000, -0.0000433200000000 ] - [ 0.0000788500000000, 0.0004029400000000, -0.0000260700000000 ] - [ 0.0005940500000000, -0.0004953700000000, -0.0001764100000000 ] - [ 0.0003129500000000, -0.0001741300000000, -0.0001095900000000 ] - [ -0.0021140100000000, 0.0022841900000000, 0.0008410400000000 ] - [ -0.0007694700000000, 0.0008219400000000, 0.0002457600000000 ] - [ -0.0005657400000000, 0.0001574400000000, 0.0004208000000000 ] - [ -0.0006856200000000, 0.0006189600000000, 0.0003011800000000 ] - [ 0.0010559200000000, 0.0007181500000000, -0.0002974900000000 ] - [ 0.0003603300000000, 0.0005286200000000, -0.0002418600000000 ] - [ 0.0010865300000000, 0.0008857200000000, -0.0000664300000000 ] - [ 0.0011910000000000, 0.0008600400000000, -0.0001494200000000 ] - [ 0.0019944000000000, -0.0013499800000000, 0.0001736800000000 ] - [ 0.0005721900000000, -0.0009696700000000, -0.0002871900000000 ] - [ -0.0003658700000000, -0.0000583700000000, -0.0006976800000000 ] - [ 0.0026903300000000, -0.0008231800000000, -0.0002689100000000 ] - [ -0.0039106000000000, -0.0035682000000000, 0.0050220500000000 ] - [ -0.0005952000000000, -0.0005859500000000, 0.0002967200000000 ] - [ -0.0012132700000000, -0.0018042600000000, -0.0003051400000000 ] - [ -0.0008843400000000, -0.0008675500000000, 0.0001761100000000 ] - [ -0.0164714100000000, 0.0563098200000000, -0.0379650600000000 ] - [ 0.0000900400000000, -0.0003310800000000, 0.0006477500000000 ] - [ 0.0001275700000000, -0.0013604800000000, 0.0008258700000000 ] - [ 0.0001243800000000, -0.0005527500000000, 0.0006931800000000 ] - [ 0.0005012500000000, -0.0006675800000000, -0.0005523600000000 ] - [ -0.0002936600000000, -0.0005251700000000, -0.0007190800000000 ] - [ -0.0003980200000000, -0.0006647100000000, -0.0017100200000000 ] - [ 0.0000922800000000, -0.0005220600000000, -0.0008368000000000 ] - [ -0.0000194600000000, -0.0000770400000000, -0.0008252000000000 ] - [ -0.0000781600000000, 0.0003091700000000, -0.0006307300000000 ] - [ -0.0000320700000000, 0.0008437300000000, -0.0001126900000000 ] - [ -0.0000159100000000, 0.0005536400000000, -0.0005703000000000 ] - [ -0.0007656400000000, -0.0008886800000000, 0.0019471600000000 ] - [ 0.0001209100000000, 0.0005042600000000, 0.0006626700000000 ] - [ -0.0001102600000000, 0.0002781500000000, 0.0009633400000000 ] - [ 0.0001052600000000, 0.0004029900000000, 0.0006829900000000 ] - [ 0.0000182200000000, -0.0004835200000000, 0.0002584200000000 ] - [ 0.0007911600000000, -0.0008273000000000, 0.0003348400000000 ] - [ 0.0002716900000000, 0.0005991000000000, 0.0002742100000000 ] - [ 0.0000591500000000, 0.0004826800000000, 0.0002249400000000 ] - [ 0.0004621400000000, 0.0015918400000000, 0.0001150900000000 ] - [ -0.0004607200000000, 0.0000927900000000, -0.0001656000000000 ] - [ 0.0021174400000000, -0.0054132700000000, -0.0005828400000000 ] - [ -0.0000557500000000, 0.0001141500000000, -0.0001366400000000 ] - [ 0.0000735500000000, 0.0007711400000000, -0.0002427400000000 ] - [ -0.0003739100000000, -0.0000498300000000, -0.0001573200000000 ] - [ -0.0000506200000000, -0.0006613300000000, -0.0003983400000000 ] - [ -0.0002488400000000, -0.0001423000000000, -0.0001575400000000 ] - [ -0.0000589500000000, -0.0004453000000000, 0.0001601200000000 ] - [ 0.0004478700000000, -0.0004130700000000, 0.0001039600000000 ] - [ 0.0002692300000000, 0.0001997700000000, -0.0000660200000000 ] - [ -0.0000059000000000, 0.0001603600000000, 0.0000235600000000 ] - [ -0.0036830100000000, 0.0027674000000000, 0.0001111500000000 ] - [ 0.0004509700000000, 0.0009054800000000, 0.0001424600000000 ] - [ 0.0045646900000000, 0.0012142300000000, 0.0009234100000000 ] - [ -0.0016435100000000, 0.0008785600000000, 0.0001785100000000 ] - [ 0.0097006600000000, -0.0393805100000000, 0.0436114400000000 ] - [ -0.0001710900000000, 0.0001383400000000, -0.0000977300000000 ] - [ 0.0002127700000000, 0.0046229900000000, 0.0011074500000000 ] - [ -0.0000502800000000, 0.0010711800000000, 0.0000361400000000 ] - [ 0.0022442100000000, -0.0061626000000000, -0.0033235700000000 ] - [ -0.0000762500000000, -0.0009027300000000, -0.0000379700000000 ] - [ 0.0012953200000000, 0.0024720300000000, -0.0017039900000000 ] - [ -0.0000974600000000, -0.0002354900000000, -0.0002150200000000 ] - [ -0.0004647100000000, 0.0010617400000000, 0.0003177600000000 ] - [ 0.0003063500000000, -0.0001294400000000, 0.0000536900000000 ] - [ -0.0008914200000000, -0.0021140300000000, -0.0004022300000000 ] - [ -0.0004427100000000, -0.0009840300000000, 0.0000298800000000 ]- atom: 49 displacement: [ -0.0000313680234493, 0.0000000000000000, 0.0099999508022342 ] forces: - [ -0.0047802600000000, 0.0050411900000000, 0.0024680600000000 ] - [ 0.0001511000000000, 0.0008584000000000, 0.0000711900000000 ] - [ -0.0002004700000000, 0.0012011500000000, 0.0004884100000000 ] - [ 0.0001155700000000, 0.0008914400000000, 0.0001637800000000 ] - [ -0.0005811500000000, -0.0020846800000000, 0.0058241200000000 ] - [ -0.0001418000000000, 0.0007991400000000, 0.0000018600000000 ] - [ -0.0002096100000000, 0.0005974500000000, 0.0003840600000000 ] - [ -0.0001485000000000, 0.0007998400000000, -0.0000250500000000 ] - [ 0.0009424500000000, -0.0025439100000000, -0.0056494300000000 ] - [ -0.0001360300000000, -0.0008167800000000, -0.0000665500000000 ] - [ -0.0002308800000000, -0.0013133500000000, -0.0008389600000000 ] - [ -0.0000496300000000, -0.0008893000000000, -0.0000969200000000 ] - [ 0.0001066900000000, -0.0009472500000000, 0.0001460700000000 ] - [ 0.0000856600000000, -0.0008546100000000, 0.0000285700000000 ] - [ 0.0052162000000000, 0.0022224900000000, -0.0014586200000000 ] - [ 0.0001420600000000, -0.0006690800000000, -0.0000934400000000 ] - [ 0.0002669000000000, 0.0002582900000000, -0.0005151200000000 ] - [ 0.0003587700000000, 0.0001377200000000, -0.0004957900000000 ] - [ 0.0001196500000000, -0.0002394100000000, -0.0000394200000000 ] - [ 0.0004015200000000, -0.0000671200000000, -0.0001700900000000 ] - [ 0.0000044400000000, -0.0008019200000000, 0.0001396800000000 ] - [ -0.0002129000000000, -0.0000839700000000, 0.0001106500000000 ] - [ -0.0054293900000000, 0.0048795700000000, 0.0141802400000000 ] - [ -0.0002058400000000, -0.0000372700000000, 0.0000792500000000 ] - [ 0.0022802300000000, 0.0025516400000000, -0.0007260900000000 ] - [ -0.0002445600000000, 0.0000547100000000, 0.0000569300000000 ] - [ -0.0005782600000000, -0.0024203600000000, 0.0012809000000000 ] - [ -0.0002410900000000, 0.0000559600000000, 0.0000886900000000 ] - [ 0.0003081600000000, 0.0003995500000000, 0.0004299800000000 ] - [ -0.0002382700000000, 0.0002684600000000, 0.0003901700000000 ] - [ -0.0000776600000000, 0.0003847300000000, -0.0000568500000000 ] - [ 0.0002230400000000, 0.0000508600000000, -0.0000234700000000 ] - [ 0.0000957100000000, 0.0011431300000000, 0.0030835600000000 ] - [ -0.0008705000000000, 0.0007401400000000, 0.0002551500000000 ] - [ -0.0007157000000000, 0.0006011400000000, 0.0004026500000000 ] - [ -0.0008757400000000, 0.0007564000000000, 0.0002281900000000 ] - [ 0.0004618100000000, 0.0008286700000000, -0.0000112800000000 ] - [ 0.0008746400000000, 0.0007434100000000, 0.0000268800000000 ] - [ 0.0008893900000000, 0.0008144400000000, -0.0001440000000000 ] - [ 0.0007300700000000, 0.0008244400000000, 0.0000939500000000 ] - [ 0.0012477600000000, -0.0009716600000000, -0.0001547300000000 ] - [ 0.0006993900000000, -0.0008300800000000, -0.0004245700000000 ] - [ 0.0005300200000000, -0.0002371600000000, -0.0007161700000000 ] - [ 0.0014437300000000, -0.0008325700000000, -0.0008983100000000 ] - [ -0.0057769400000000, -0.0045118800000000, -0.0008354400000000 ] - [ -0.0007094700000000, -0.0007293000000000, 0.0002500500000000 ] - [ -0.0007488700000000, -0.0006047500000000, -0.0000285300000000 ] - [ -0.0008315800000000, -0.0007523700000000, 0.0002401200000000 ] - [ -0.0113455100000000, 0.0372942700000000, -0.1194373200000000 ] - [ 0.0000879800000000, -0.0004182700000000, 0.0006340600000000 ] - [ 0.0000820200000000, -0.0005940100000000, 0.0003582300000000 ] - [ 0.0000888800000000, -0.0004625300000000, 0.0006726800000000 ] - [ 0.0005467300000000, -0.0014737700000000, -0.0012394200000000 ] - [ -0.0003209600000000, -0.0006083600000000, -0.0008406100000000 ] - [ -0.0001088300000000, -0.0003197600000000, -0.0012413000000000 ] - [ -0.0001141300000000, -0.0004854500000000, -0.0008378500000000 ] - [ -0.0001616000000000, 0.0006016000000000, -0.0008448000000000 ] - [ -0.0000303900000000, 0.0004007900000000, -0.0006288000000000 ] - [ -0.0003457500000000, -0.0001189100000000, 0.0000750000000000 ] - [ 0.0001034900000000, 0.0003403300000000, -0.0003984100000000 ] - [ 0.0018397400000000, 0.0017234800000000, 0.0154567600000000 ] - [ 0.0000687700000000, 0.0004317800000000, 0.0006935200000000 ] - [ 0.0001288400000000, 0.0007306800000000, 0.0014980600000000 ] - [ 0.0000717300000000, 0.0004524900000000, 0.0006894000000000 ] - [ -0.0005549800000000, 0.0001577100000000, 0.0003404800000000 ] - [ 0.0014480500000000, -0.0001869300000000, 0.0007554300000000 ] - [ 0.0002163400000000, 0.0001682100000000, 0.0000950000000000 ] - [ 0.0002824100000000, 0.0001503000000000, 0.0002252900000000 ] - [ -0.0001198000000000, 0.0006099500000000, 0.0013090400000000 ] - [ -0.0002834900000000, 0.0001131100000000, -0.0001238100000000 ] - [ -0.0021156700000000, 0.0030292000000000, 0.0034088500000000 ] - [ -0.0002244500000000, 0.0000825300000000, -0.0001272500000000 ] - [ -0.0003141600000000, -0.0000470600000000, -0.0009058200000000 ] - [ -0.0001441000000000, -0.0001040800000000, -0.0001679400000000 ] - [ -0.0001248400000000, -0.0003902600000000, -0.0030424000000000 ] - [ -0.0002213200000000, -0.0001259400000000, -0.0001897400000000 ] - [ 0.0006919500000000, 0.0000291200000000, 0.0000840200000000 ] - [ -0.0005642600000000, -0.0003616400000000, -0.0002609800000000 ] - [ 0.0003034300000000, -0.0001283200000000, 0.0001650900000000 ] - [ 0.0000121000000000, -0.0000498500000000, 0.0000335200000000 ] - [ -0.0013176200000000, 0.0014086700000000, 0.0018935200000000 ] - [ 0.0000608800000000, 0.0005965900000000, 0.0005247100000000 ] - [ 0.0011757900000000, -0.0007692000000000, 0.0032887600000000 ] - [ -0.0006322300000000, 0.0006628600000000, 0.0004080400000000 ] - [ 0.0174398800000000, -0.0373892200000000, 0.1017210700000000 ] - [ 0.0000023900000000, 0.0005089600000000, -0.0000723300000000 ] - [ -0.0004535000000000, 0.0011664300000000, 0.0004095500000000 ] - [ 0.0000716200000000, 0.0006525600000000, -0.0000773300000000 ] - [ -0.0007542800000000, -0.0071187000000000, -0.0154985700000000 ] - [ 0.0000904500000000, -0.0005737700000000, -0.0001051800000000 ] - [ 0.0010818500000000, 0.0009581400000000, -0.0013600100000000 ] - [ 0.0001105200000000, -0.0005745300000000, -0.0001136000000000 ] - [ 0.0006359500000000, -0.0019935100000000, -0.0018669600000000 ] - [ -0.0000373600000000, -0.0005126600000000, -0.0001173900000000 ] - [ -0.0000530400000000, -0.0013150600000000, -0.0022082700000000 ] - [ 0.0002406300000000, -0.0008135600000000, -0.0004783400000000 ]- atom: 49 displacement: [ 0.0000313680234493, 0.0000000000000000, -0.0099999508022342 ] forces: - [ 0.0049532900000000, -0.0033420600000000, -0.0023562300000000 ] - [ 0.0000960500000000, 0.0007843400000000, 0.0000164900000000 ] - [ 0.0004456000000000, 0.0004423500000000, -0.0004033100000000 ] - [ 0.0001298900000000, 0.0007527600000000, -0.0000764500000000 ] - [ 0.0003198000000000, 0.0036868600000000, -0.0058920200000000 ] - [ -0.0001048200000000, 0.0008438500000000, -0.0000871000000000 ] - [ -0.0000321100000000, 0.0010562200000000, -0.0004720900000000 ] - [ -0.0000969600000000, 0.0008444900000000, -0.0000609700000000 ] - [ -0.0011431800000000, 0.0008130700000000, 0.0055911900000000 ] - [ -0.0001105600000000, -0.0008254200000000, -0.0000193300000000 ] - [ -0.0000063200000000, -0.0002981500000000, 0.0007585400000000 ] - [ -0.0002006900000000, -0.0007480000000000, 0.0000141200000000 ] - [ 0.0001443800000000, -0.0006913000000000, -0.0000554000000000 ] - [ 0.0001594400000000, -0.0007884500000000, 0.0000607500000000 ] - [ -0.0049700100000000, -0.0038589000000000, 0.0015691300000000 ] - [ 0.0000993700000000, -0.0009771300000000, 0.0001850300000000 ] - [ 0.0001839000000000, -0.0003766800000000, 0.0003465200000000 ] - [ 0.0000873800000000, -0.0002628500000000, 0.0003279800000000 ] - [ 0.0003390500000000, 0.0001331400000000, -0.0001272400000000 ] - [ 0.0000452300000000, -0.0000503200000000, 0.0000034800000000 ] - [ -0.0004556400000000, 0.0006874300000000, 0.0000311900000000 ] - [ -0.0002422900000000, -0.0000296200000000, 0.0000577100000000 ] - [ 0.0051340600000000, -0.0051267300000000, -0.0143459800000000 ] - [ -0.0002460400000000, -0.0000803000000000, 0.0000883800000000 ] - [ -0.0026842400000000, -0.0023977400000000, 0.0008603800000000 ] - [ -0.0002064200000000, 0.0000631800000000, 0.0001104000000000 ] - [ 0.0001344500000000, 0.0025305400000000, -0.0011216800000000 ] - [ -0.0002105600000000, 0.0000612700000000, 0.0000778400000000 ] - [ 0.0001380500000000, -0.0002792900000000, -0.0005901100000000 ] - [ 0.0006927300000000, -0.0001504700000000, -0.0005510500000000 ] - [ 0.0005169400000000, -0.0002511400000000, -0.0001052100000000 ] - [ 0.0002279200000000, 0.0000700700000000, -0.0001397900000000 ] - [ -0.0017134800000000, 0.0003528600000000, -0.0025549700000000 ] - [ -0.0007825400000000, 0.0007491200000000, 0.0002314200000000 ] - [ -0.0009250500000000, 0.0008867900000000, 0.0000875400000000 ] - [ -0.0007753800000000, 0.0007333700000000, 0.0002586500000000 ] - [ 0.0011795000000000, 0.0006631800000000, -0.0004720900000000 ] - [ 0.0007778500000000, 0.0007483500000000, -0.0005120800000000 ] - [ 0.0007576000000000, 0.0006751700000000, -0.0003427100000000 ] - [ 0.0009183300000000, 0.0006631000000000, -0.0005816000000000 ] - [ 0.0004060100000000, -0.0005176400000000, -0.0003275800000000 ] - [ 0.0009399600000000, -0.0006540800000000, -0.0000661000000000 ] - [ 0.0011271500000000, -0.0012537300000000, 0.0002329400000000 ] - [ 0.0001757900000000, -0.0006460200000000, 0.0004087000000000 ] - [ 0.0041636700000000, 0.0030318100000000, 0.0013632000000000 ] - [ -0.0009426500000000, -0.0007626600000000, 0.0002379400000000 ] - [ -0.0008926700000000, -0.0008738300000000, 0.0005244000000000 ] - [ -0.0008161100000000, -0.0007359900000000, 0.0002497200000000 ] - [ 0.0125031700000000, -0.0411762700000000, 0.1266779600000000 ] - [ 0.0000723200000000, -0.0004700300000000, 0.0007147700000000 ] - [ 0.0000776800000000, -0.0002891100000000, 0.0009855900000000 ] - [ 0.0000704100000000, -0.0004204300000000, 0.0006725200000000 ] - [ -0.0007070800000000, 0.0005876600000000, -0.0000988900000000 ] - [ 0.0001589500000000, -0.0002797400000000, -0.0005045300000000 ] - [ -0.0000492900000000, -0.0005652600000000, -0.0000963100000000 ] - [ -0.0000481800000000, -0.0003960500000000, -0.0005028300000000 ] - [ -0.0000022200000000, 0.0002945900000000, -0.0005108000000000 ] - [ -0.0001288400000000, 0.0004856100000000, -0.0007167800000000 ] - [ 0.0001801300000000, 0.0009965900000000, -0.0014225300000000 ] - [ -0.0002626100000000, 0.0005451500000000, -0.0009485500000000 ] - [ -0.0016400100000000, -0.0007958000000000, -0.0139920300000000 ] - [ 0.0000895600000000, 0.0004480000000000, 0.0006497700000000 ] - [ 0.0000307600000000, 0.0001510800000000, -0.0001508900000000 ] - [ 0.0000872200000000, 0.0004293400000000, 0.0006550700000000 ] - [ 0.0009895200000000, 0.0000575200000000, -0.0000366000000000 ] - [ -0.0009968800000000, 0.0004020300000000, -0.0004568500000000 ] - [ 0.0002213200000000, 0.0000387400000000, 0.0002092700000000 ] - [ 0.0001546500000000, 0.0000569200000000, 0.0000812300000000 ] - [ -0.0003119500000000, -0.0003864600000000, -0.0016068300000000 ] - [ -0.0001534100000000, 0.0000999700000000, -0.0001815300000000 ] - [ 0.0016941600000000, -0.0028450400000000, -0.0036749000000000 ] - [ -0.0002145300000000, 0.0001302600000000, -0.0001783900000000 ] - [ -0.0001293300000000, -0.0001741600000000, 0.0005956500000000 ] - [ -0.0002903800000000, -0.0001057000000000, -0.0001377200000000 ] - [ -0.0003164300000000, 0.0001926700000000, 0.0027297400000000 ] - [ -0.0002148100000000, -0.0000832400000000, -0.0001160100000000 ] - [ -0.0002451500000000, -0.0002378100000000, 0.0002274100000000 ] - [ 0.0009889600000000, 0.0001483600000000, 0.0005727600000000 ] - [ 0.0001356800000000, -0.0000873200000000, 0.0001474000000000 ] - [ 0.0004229100000000, -0.0001637300000000, 0.0002768300000000 ] - [ 0.0011588100000000, -0.0002428100000000, -0.0016951600000000 ] - [ -0.0001923000000000, 0.0005617800000000, -0.0003351600000000 ] - [ -0.0013642600000000, 0.0018909600000000, -0.0030789900000000 ] - [ 0.0005198700000000, 0.0004821300000000, -0.0002187800000000 ] - [ -0.0185028700000000, 0.0417299200000000, -0.1077892400000000 ] - [ 0.0001366100000000, 0.0006500300000000, -0.0001151700000000 ] - [ 0.0005871200000000, -0.0000408900000000, -0.0006123100000000 ] - [ 0.0000654400000000, 0.0004984200000000, -0.0001104000000000 ] - [ 0.0008582100000000, 0.0058825000000000, 0.0152326200000000 ] - [ 0.0000459900000000, -0.0005796800000000, -0.0000780200000000 ] - [ -0.0009495400000000, -0.0021199500000000, 0.0011863000000000 ] - [ 0.0000258100000000, -0.0005840400000000, -0.0000690200000000 ] - [ -0.0007494000000000, 0.0007972100000000, 0.0020378300000000 ] - [ -0.0001022500000000, -0.0006449100000000, 0.0003032300000000 ] - [ -0.0000604100000000, 0.0001758900000000, 0.0023820500000000 ] - [ -0.0003788200000000, -0.0003396900000000, 0.0006647100000000 ]- atom: 65 displacement: [ 0.0099997061045471, 0.0000000000000000, 0.0000766669595341 ] forces: - [ 0.0003274900000000, 0.0006592600000000, -0.0000823900000000 ] - [ -0.0005978600000000, 0.0013584200000000, 0.0003084400000000 ] - [ -0.0000418300000000, 0.0014129500000000, 0.0002492300000000 ] - [ 0.0000405900000000, 0.0006830000000000, 0.0000221300000000 ] - [ -0.0001777700000000, 0.0010046500000000, 0.0002627700000000 ] - [ -0.0008033900000000, 0.0002533500000000, -0.0003350500000000 ] - [ -0.0003306500000000, 0.0006675900000000, 0.0000288100000000 ] - [ -0.0002368200000000, 0.0008252900000000, -0.0000560100000000 ] - [ -0.0004625200000000, -0.0015740400000000, -0.0005748200000000 ] - [ -0.0019926200000000, 0.0008377500000000, 0.0012491300000000 ] - [ -0.0003151800000000, -0.0005253900000000, -0.0000125600000000 ] - [ -0.0003230200000000, -0.0010172000000000, 0.0000543400000000 ] - [ -0.0001706100000000, -0.0015780200000000, 0.0002357800000000 ] - [ -0.0000479200000000, -0.0007695300000000, 0.0000145900000000 ] - [ 0.0028541000000000, 0.0000757900000000, -0.0010713800000000 ] - [ -0.0019290200000000, -0.0024902700000000, 0.0009771800000000 ] - [ 0.0030741100000000, 0.0001751900000000, -0.0001776600000000 ] - [ -0.0004881300000000, -0.0003907400000000, -0.0000252800000000 ] - [ 0.0017842600000000, 0.0010369400000000, -0.0001497100000000 ] - [ -0.0005073800000000, -0.0005823000000000, -0.0000119500000000 ] - [ -0.0006805300000000, -0.0000019900000000, 0.0001349900000000 ] - [ -0.0001375200000000, 0.0006080800000000, 0.0000270300000000 ] - [ -0.0014575600000000, 0.0010897800000000, 0.0003080800000000 ] - [ -0.0028039900000000, -0.0011719700000000, -0.0006433800000000 ] - [ -0.0008494200000000, -0.0003495300000000, 0.0001158100000000 ] - [ 0.0001408200000000, 0.0005014900000000, 0.0002664900000000 ] - [ -0.0006495000000000, -0.0000133400000000, 0.0000788700000000 ] - [ 0.0000192300000000, -0.0002285300000000, 0.0001811800000000 ] - [ 0.0028241700000000, -0.0003739300000000, -0.0013750500000000 ] - [ -0.0004770100000000, 0.0003362800000000, -0.0000713300000000 ] - [ 0.0010099400000000, -0.0003422500000000, -0.0001792500000000 ] - [ -0.0003373900000000, 0.0003882700000000, -0.0000303800000000 ] - [ -0.0017407700000000, 0.0009703600000000, 0.0001464200000000 ] - [ -0.0004035800000000, 0.0006595600000000, 0.0002021200000000 ] - [ -0.0015516200000000, 0.0008934700000000, 0.0001480000000000 ] - [ -0.0001643600000000, 0.0006527100000000, 0.0002924000000000 ] - [ 0.0024871300000000, 0.0012607300000000, -0.0002442900000000 ] - [ -0.0000884300000000, 0.0005406900000000, -0.0003339100000000 ] - [ 0.0025263700000000, 0.0011472300000000, -0.0001287100000000 ] - [ -0.0002363500000000, 0.0004792600000000, -0.0004140600000000 ] - [ 0.0029331300000000, -0.0012135500000000, 0.0000093300000000 ] - [ -0.0003916300000000, -0.0004411000000000, -0.0004960700000000 ] - [ 0.0054544400000000, -0.0006765200000000, -0.0003832600000000 ] - [ -0.0003615400000000, -0.0005144500000000, -0.0003505000000000 ] - [ -0.0030245600000000, -0.0014855300000000, -0.0003106200000000 ] - [ 0.0072422700000000, -0.0067297600000000, -0.0006653100000000 ] - [ -0.0015967100000000, -0.0008528400000000, 0.0001289700000000 ] - [ -0.0002597500000000, -0.0009208800000000, 0.0003289200000000 ] - [ -0.0007424300000000, -0.0002442700000000, -0.0001028600000000 ] - [ -0.0011399400000000, -0.0010119400000000, 0.0018935600000000 ] - [ -0.0001582300000000, -0.0004953600000000, 0.0006693000000000 ] - [ 0.0001461000000000, -0.0002847200000000, 0.0007360400000000 ] - [ 0.0034249700000000, 0.0018245200000000, -0.0025451800000000 ] - [ -0.0006154100000000, -0.0002815400000000, -0.0006785500000000 ] - [ 0.0005912200000000, 0.0002398700000000, -0.0005645000000000 ] - [ -0.0004021900000000, -0.0006825700000000, -0.0007367500000000 ] - [ 0.0003142900000000, 0.0001550300000000, -0.0007708900000000 ] - [ -0.0003248000000000, 0.0005967600000000, -0.0005992400000000 ] - [ 0.0003573600000000, 0.0002749300000000, -0.0005994200000000 ] - [ -0.0004481700000000, 0.0004729500000000, -0.0006762800000000 ] - [ -0.0002067800000000, 0.0001644900000000, 0.0011420800000000 ] - [ -0.0001662700000000, 0.0006665100000000, -0.0001080500000000 ] - [ -0.0001179900000000, 0.0004898900000000, 0.0007556000000000 ] - [ 0.0001237500000000, 0.0002168800000000, 0.0004653500000000 ] - [ -0.0299778300000000, 0.0032508600000000, 0.0015345400000000 ] - [ 0.0013792000000000, -0.0000196800000000, 0.0001892300000000 ] - [ -0.0006481900000000, 0.0001560400000000, 0.0000480000000000 ] - [ 0.0008274700000000, 0.0000800500000000, 0.0002021600000000 ] - [ 0.0005910500000000, 0.0004710800000000, -0.0000384000000000 ] - [ -0.0005136400000000, -0.0019508700000000, -0.0011096300000000 ] - [ 0.0005897900000000, -0.0001642400000000, 0.0000198400000000 ] - [ -0.0005119500000000, 0.0019378200000000, -0.0010876900000000 ] - [ 0.0003933800000000, 0.0000378700000000, -0.0001780800000000 ] - [ -0.0007923200000000, -0.0007122200000000, 0.0001635900000000 ] - [ 0.0004810400000000, -0.0003309700000000, -0.0003290900000000 ] - [ -0.0008016200000000, 0.0007607600000000, 0.0008261800000000 ] - [ -0.0013444800000000, -0.0001619000000000, 0.0002244100000000 ] - [ 0.0010062100000000, -0.0000733100000000, 0.0001507400000000 ] - [ -0.0004899000000000, -0.0001364200000000, 0.0002296100000000 ] - [ 0.0007771700000000, -0.0000582800000000, 0.0001369800000000 ] - [ -0.0017558700000000, 0.0059475100000000, 0.0041917500000000 ] - [ 0.0025237400000000, -0.0002160400000000, -0.0000902000000000 ] - [ -0.0048569600000000, -0.0056022300000000, 0.0038907200000000 ] - [ 0.0020473500000000, 0.0017479200000000, -0.0005579000000000 ] - [ 0.0074595700000000, 0.0014336000000000, -0.0003660600000000 ] - [ 0.0123021100000000, 0.0019165600000000, -0.0001440000000000 ] - [ 0.0013063600000000, 0.0005633600000000, -0.0002861100000000 ] - [ -0.0000851900000000, 0.0004458900000000, -0.0001253500000000 ] - [ 0.0013518700000000, -0.0003649000000000, -0.0000296300000000 ] - [ 0.0006846700000000, -0.0009325100000000, -0.0003434300000000 ] - [ 0.0011549700000000, -0.0007207600000000, -0.0001005300000000 ] - [ -0.0004227800000000, -0.0002279500000000, -0.0000676200000000 ] - [ -0.0019023200000000, 0.0003896100000000, -0.0008839200000000 ] - [ 0.0014333900000000, -0.0010856900000000, -0.0000177000000000 ] - [ -0.0018919800000000, -0.0027237500000000, -0.0023402600000000 ] - [ 0.0019691200000000, -0.0000330300000000, 0.0003595800000000 ]- atom: 65 displacement: [ -0.0099997061045471, 0.0000000000000000, -0.0000766669595341 ] forces: - [ -0.0000742800000000, 0.0009808800000000, 0.0001701900000000 ] - [ 0.0008458800000000, 0.0002835300000000, -0.0002214100000000 ] - [ 0.0002919900000000, 0.0002268900000000, -0.0001650700000000 ] - [ 0.0002042500000000, 0.0009638100000000, 0.0000671000000000 ] - [ -0.0000620100000000, 0.0006458200000000, -0.0003507200000000 ] - [ 0.0005580900000000, 0.0013913300000000, 0.0002499600000000 ] - [ 0.0000877400000000, 0.0009783700000000, -0.0001175400000000 ] - [ -0.0000107300000000, 0.0008173100000000, -0.0000304000000000 ] - [ 0.0002204300000000, -0.0000824500000000, 0.0004818400000000 ] - [ 0.0017476900000000, -0.0024876000000000, -0.0013404300000000 ] - [ 0.0000738400000000, -0.0011212300000000, -0.0000771700000000 ] - [ 0.0000756700000000, -0.0006223900000000, -0.0001406200000000 ] - [ 0.0004229000000000, -0.0000595600000000, -0.0001506900000000 ] - [ 0.0002929500000000, -0.0008762200000000, 0.0000742800000000 ] - [ -0.0023036000000000, -0.0018909100000000, 0.0011824300000000 ] - [ 0.0021797600000000, 0.0008501500000000, -0.0008909600000000 ] - [ -0.0026179600000000, -0.0002797000000000, 0.0000033000000000 ] - [ 0.0009368700000000, 0.0002703400000000, -0.0001411200000000 ] - [ -0.0013314300000000, -0.0011547200000000, -0.0000150300000000 ] - [ 0.0009578900000000, 0.0004655700000000, -0.0001544600000000 ] - [ 0.0002361900000000, -0.0001226700000000, 0.0000301600000000 ] - [ -0.0003180000000000, -0.0007225100000000, 0.0001394700000000 ] - [ 0.0010049200000000, -0.0012014200000000, -0.0001414000000000 ] - [ 0.0023737300000000, 0.0010647900000000, 0.0008163900000000 ] - [ 0.0004035700000000, 0.0004685400000000, 0.0000502600000000 ] - [ -0.0005940900000000, -0.0003872300000000, -0.0001000700000000 ] - [ 0.0002038500000000, 0.0001338900000000, 0.0000874000000000 ] - [ -0.0004736300000000, 0.0003432300000000, -0.0000141600000000 ] - [ -0.0023788900000000, 0.0004872400000000, 0.0012323200000000 ] - [ 0.0009275300000000, -0.0002175000000000, -0.0000937100000000 ] - [ -0.0005619600000000, 0.0004626700000000, 0.0000140600000000 ] - [ 0.0007898400000000, -0.0002714800000000, -0.0001356900000000 ] - [ 0.0000986000000000, 0.0005168700000000, 0.0003422300000000 ] - [ -0.0012565100000000, 0.0008320800000000, 0.0002832400000000 ] - [ -0.0000857700000000, 0.0005917000000000, 0.0003419400000000 ] - [ -0.0014907200000000, 0.0008377100000000, 0.0001932500000000 ] - [ -0.0008355400000000, 0.0002359700000000, -0.0002431700000000 ] - [ 0.0017359500000000, 0.0009481100000000, -0.0001542600000000 ] - [ -0.0008741100000000, 0.0003424900000000, -0.0003573000000000 ] - [ 0.0018840600000000, 0.0010109500000000, -0.0000745300000000 ] - [ -0.0012816200000000, -0.0002733000000000, -0.0004931100000000 ] - [ 0.0020349800000000, -0.0010453900000000, 0.0000064100000000 ] - [ -0.0037792200000000, -0.0007974400000000, -0.0001137300000000 ] - [ 0.0020151100000000, -0.0009749800000000, -0.0001356200000000 ] - [ 0.0013804900000000, -0.0000046600000000, 0.0007990900000000 ] - [ -0.0096770800000000, 0.0056062600000000, 0.0011667400000000 ] - [ -0.0000448600000000, -0.0006351800000000, 0.0003596900000000 ] - [ -0.0013938700000000, -0.0005693900000000, 0.0001576400000000 ] - [ 0.0009029300000000, -0.0006392000000000, 0.0014436300000000 ] - [ 0.0013120000000000, 0.0001256100000000, -0.0005505900000000 ] - [ 0.0003210900000000, -0.0003906300000000, 0.0006763600000000 ] - [ 0.0000130900000000, -0.0005984500000000, 0.0006075400000000 ] - [ -0.0035218200000000, -0.0025488600000000, 0.0011892500000000 ] - [ 0.0004545600000000, -0.0006065700000000, -0.0006682100000000 ] - [ -0.0007481900000000, -0.0011268100000000, -0.0007834900000000 ] - [ 0.0002420200000000, -0.0001987400000000, -0.0006074900000000 ] - [ -0.0004757200000000, 0.0007337000000000, -0.0005771000000000 ] - [ 0.0001649600000000, 0.0002871600000000, -0.0007459600000000 ] - [ -0.0005130900000000, 0.0006063500000000, -0.0007495800000000 ] - [ 0.0002878300000000, 0.0004127800000000, -0.0006691300000000 ] - [ 0.0003695100000000, 0.0007191300000000, 0.0002076800000000 ] - [ 0.0003262300000000, 0.0002121100000000, 0.0014538400000000 ] - [ 0.0002805600000000, 0.0003939100000000, 0.0005887500000000 ] - [ 0.0000353600000000, 0.0006649600000000, 0.0008783400000000 ] - [ 0.0308764100000000, -0.0034443800000000, -0.0012808000000000 ] - [ -0.0009441900000000, 0.0002296400000000, 0.0001166700000000 ] - [ 0.0010868600000000, 0.0000535500000000, 0.0002584400000000 ] - [ -0.0003949300000000, 0.0001290300000000, 0.0001036600000000 ] - [ -0.0010259800000000, -0.0002556400000000, -0.0002670300000000 ] - [ 0.0000837200000000, 0.0021705100000000, 0.0008060800000000 ] - [ -0.0010256600000000, 0.0003743300000000, -0.0003245800000000 ] - [ 0.0000856800000000, -0.0017354300000000, 0.0007880800000000 ] - [ -0.0008289800000000, -0.0002457000000000, -0.0001279200000000 ] - [ 0.0003620800000000, 0.0005043400000000, -0.0004696700000000 ] - [ -0.0009170600000000, 0.0001203100000000, 0.0000218200000000 ] - [ 0.0003737600000000, -0.0009731000000000, -0.0011368000000000 ] - [ 0.0017841800000000, -0.0000525800000000, 0.0000814900000000 ] - [ -0.0005739000000000, -0.0001393600000000, 0.0001556300000000 ] - [ 0.0009278900000000, -0.0000758200000000, 0.0000766600000000 ] - [ -0.0003449200000000, -0.0001548700000000, 0.0001695300000000 ] - [ 0.0015827900000000, -0.0047958300000000, -0.0040024400000000 ] - [ -0.0026602000000000, 0.0013769900000000, 0.0002779000000000 ] - [ 0.0046721700000000, 0.0067514300000000, -0.0036952800000000 ] - [ -0.0021846100000000, -0.0005983800000000, 0.0007465700000000 ] - [ -0.0072864600000000, -0.0002816900000000, 0.0001801400000000 ] - [ -0.0122534500000000, -0.0007307000000000, -0.0000458400000000 ] - [ -0.0011832400000000, 0.0005934200000000, 0.0001008500000000 ] - [ 0.0002259300000000, 0.0007085300000000, -0.0000613200000000 ] - [ -0.0012290900000000, -0.0007898700000000, -0.0001555600000000 ] - [ -0.0005448400000000, -0.0002211500000000, 0.0001592200000000 ] - [ -0.0010311900000000, -0.0004358200000000, -0.0000849000000000 ] - [ 0.0005638000000000, -0.0009300000000000, -0.0001191600000000 ] - [ 0.0017607000000000, -0.0015509100000000, 0.0010747600000000 ] - [ -0.0015679500000000, -0.0000659800000000, 0.0002039900000000 ] - [ 0.0017250600000000, 0.0015867500000000, 0.0025337300000000 ] - [ -0.0021046000000000, -0.0011266200000000, -0.0001747700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007651700000000, 0.0017947400000000, 0.0000259100000000 ] - [ 0.0001707300000000, 0.0008122100000000, 0.0000441900000000 ] - [ 0.0008796200000000, -0.0005699600000000, -0.0004162500000000 ] - [ 0.0000991500000000, 0.0008318100000000, 0.0000426500000000 ] - [ 0.0009022400000000, 0.0019466600000000, -0.0006328800000000 ] - [ -0.0002058700000000, 0.0011889900000000, -0.0002174400000000 ] - [ -0.0012149700000000, -0.0003459700000000, 0.0005277300000000 ] - [ -0.0000962500000000, 0.0005488800000000, 0.0001249500000000 ] - [ -0.0019643700000000, 0.0007498400000000, 0.0005427000000000 ] - [ 0.0004235300000000, -0.0005781100000000, 0.0001265200000000 ] - [ 0.0017115900000000, -0.0026931600000000, -0.0010167200000000 ] - [ -0.0003202700000000, -0.0011124200000000, -0.0001975300000000 ] - [ -0.0011744600000000, -0.0032375000000000, 0.0009841100000000 ] - [ 0.0000499400000000, -0.0009475900000000, 0.0001147000000000 ] - [ 0.0012091300000000, 0.0020906600000000, -0.0001347400000000 ] - [ 0.0005947600000000, -0.0003304000000000, -0.0002571500000000 ] - [ -0.0007533300000000, 0.0014234300000000, 0.0003555100000000 ] - [ 0.0002848600000000, 0.0000025900000000, -0.0000827500000000 ] - [ -0.0003693300000000, -0.0021233600000000, 0.0004195800000000 ] - [ 0.0002749500000000, -0.0000524400000000, -0.0000917200000000 ] - [ -0.0000562100000000, -0.0004182600000000, 0.0000565400000000 ] - [ 0.0005724000000000, -0.0010808500000000, 0.0000383600000000 ] - [ -0.0003547900000000, 0.0003175100000000, 0.0000935600000000 ] - [ -0.0033796900000000, 0.0016615800000000, 0.0000262200000000 ] - [ -0.0001380600000000, 0.0003181400000000, -0.0000199200000000 ] - [ 0.0004776800000000, 0.0005194600000000, -0.0002332900000000 ] - [ -0.0002552900000000, -0.0001762200000000, 0.0001698100000000 ] - [ -0.0008603000000000, -0.0005104800000000, 0.0003303000000000 ] - [ 0.0004161300000000, 0.0024549600000000, 0.0021425500000000 ] - [ 0.0002461600000000, 0.0001135700000000, -0.0000769300000000 ] - [ 0.0006151300000000, -0.0010440700000000, -0.0001955400000000 ] - [ 0.0002823300000000, -0.0000178900000000, -0.0000852700000000 ] - [ -0.0010074300000000, 0.0009546700000000, 0.0001075100000000 ] - [ -0.0012485100000000, 0.0014170500000000, 0.0001189500000000 ] - [ -0.0005586700000000, 0.0005194700000000, 0.0003912500000000 ] - [ -0.0006184300000000, 0.0003131800000000, 0.0003188100000000 ] - [ 0.0001844400000000, 0.0001046300000000, 0.0004169800000000 ] - [ 0.0008525800000000, 0.0007540000000000, -0.0002462900000000 ] - [ 0.0008391700000000, 0.0002900600000000, -0.0005945700000000 ] - [ 0.0008998700000000, 0.0007587000000000, -0.0002334300000000 ] - [ 0.0008343100000000, -0.0023550100000000, -0.0008500100000000 ] - [ 0.0009068600000000, -0.0007902200000000, -0.0002104500000000 ] - [ 0.0051828100000000, 0.0043285800000000, -0.0024839000000000 ] - [ 0.0009275100000000, -0.0007316400000000, -0.0002579200000000 ] - [ -0.0002599100000000, -0.0003685600000000, 0.0005765400000000 ] - [ -0.0031100000000000, 0.0044661300000000, 0.0009634200000000 ] - [ -0.0009800200000000, -0.0009999300000000, 0.0000483800000000 ] - [ -0.0015485300000000, -0.0016265400000000, 0.0000473400000000 ] - [ 0.0005083200000000, 0.0001452100000000, 0.0007250700000000 ] - [ -0.0003469000000000, 0.0004863900000000, 0.0003787100000000 ] - [ -0.0000905300000000, -0.0009357000000000, 0.0007365700000000 ] - [ 0.0002498500000000, -0.0008173000000000, 0.0007182400000000 ] - [ 0.0022074500000000, 0.0050802500000000, -0.0036285500000000 ] - [ -0.0000197900000000, -0.0004506700000000, -0.0006492900000000 ] - [ 0.0006403700000000, -0.0019227300000000, -0.0011718600000000 ] - [ -0.0000778000000000, -0.0004276800000000, -0.0006792800000000 ] - [ 0.0000499700000000, -0.0004262500000000, -0.0006105000000000 ] - [ -0.0000629100000000, 0.0003888400000000, -0.0006722200000000 ] - [ 0.0000372400000000, 0.0009915900000000, -0.0009657500000000 ] - [ -0.0000693900000000, 0.0004806300000000, -0.0006944400000000 ] - [ -0.0000522600000000, 0.0007828100000000, 0.0005392200000000 ] - [ 0.0003923200000000, 0.0007476100000000, 0.0009259900000000 ] - [ 0.0002229400000000, 0.0001363800000000, 0.0006931300000000 ] - [ -0.0001024700000000, 0.0001755800000000, 0.0006141800000000 ] - [ 0.0034140000000000, -0.0330180800000000, -0.0009715500000000 ] - [ 0.0000949500000000, 0.0000680100000000, 0.0001452700000000 ] - [ 0.0002695500000000, 0.0019610700000000, 0.0002495800000000 ] - [ 0.0001945400000000, 0.0001612100000000, 0.0001525200000000 ] - [ 0.0000512400000000, 0.0001196900000000, -0.0001804500000000 ] - [ -0.0020683000000000, 0.0012232600000000, 0.0005684100000000 ] - [ -0.0005821700000000, 0.0001204000000000, -0.0001602500000000 ] - [ 0.0018425700000000, 0.0012226500000000, -0.0008088400000000 ] - [ -0.0000768600000000, -0.0000852600000000, -0.0001557800000000 ] - [ -0.0008262700000000, 0.0003586500000000, -0.0004781700000000 ] - [ -0.0004448700000000, -0.0001141800000000, -0.0001285400000000 ] - [ 0.0006430900000000, -0.0000324200000000, 0.0004703500000000 ] - [ 0.0002697700000000, -0.0018348700000000, 0.0006493600000000 ] - [ 0.0001859500000000, -0.0001577000000000, 0.0001641100000000 ] - [ 0.0002506900000000, 0.0010121700000000, -0.0000924600000000 ] - [ 0.0001710000000000, -0.0000606800000000, 0.0001494400000000 ] - [ 0.0064800500000000, 0.0089972500000000, 0.0064456100000000 ] - [ -0.0004182800000000, 0.0007293400000000, 0.0000966800000000 ] - [ -0.0079344400000000, 0.0093479000000000, -0.0042894000000000 ] - [ -0.0000552700000000, 0.0003639300000000, 0.0001911500000000 ] - [ -0.0016455000000000, -0.0034312200000000, -0.0005241000000000 ] - [ -0.0014257600000000, -0.0048048300000000, -0.0007133600000000 ] - [ 0.0005882600000000, 0.0030474400000000, 0.0004212400000000 ] - [ 0.0001841500000000, 0.0022207600000000, 0.0001250700000000 ] - [ 0.0006198500000000, -0.0024142500000000, 0.0004112700000000 ] - [ -0.0001928800000000, -0.0019467600000000, -0.0000006800000000 ] - [ -0.0005320000000000, 0.0011689500000000, -0.0005612300000000 ] - [ 0.0003702500000000, 0.0004699800000000, -0.0002280500000000 ] - [ 0.0018517400000000, 0.0020228100000000, -0.0021367500000000 ] - [ -0.0002057400000000, -0.0004387600000000, 0.0000948500000000 ] - [ -0.0030773700000000, 0.0014344200000000, 0.0041536800000000 ] - [ -0.0000803500000000, -0.0007168200000000, 0.0000614700000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010106500000000, -0.0001471900000000, 0.0000626100000000 ] - [ 0.0000736800000000, 0.0008322300000000, 0.0000435700000000 ] - [ -0.0006325100000000, 0.0022106900000000, 0.0005004200000000 ] - [ 0.0001472700000000, 0.0008112100000000, 0.0000444300000000 ] - [ -0.0011484900000000, -0.0003037400000000, 0.0005444900000000 ] - [ -0.0000418600000000, 0.0004528600000000, 0.0001301000000000 ] - [ 0.0009663600000000, 0.0019877600000000, -0.0006140400000000 ] - [ -0.0001492400000000, 0.0010949400000000, -0.0002118000000000 ] - [ 0.0017135400000000, -0.0023884500000000, -0.0006294300000000 ] - [ -0.0006746300000000, -0.0010609100000000, -0.0002114300000000 ] - [ -0.0019614300000000, 0.0010513000000000, 0.0009297400000000 ] - [ 0.0000755200000000, -0.0005313900000000, 0.0001096100000000 ] - [ 0.0014191400000000, 0.0015956500000000, -0.0008968600000000 ] - [ 0.0001970500000000, -0.0006944800000000, -0.0000282600000000 ] - [ -0.0008756100000000, -0.0037868300000000, 0.0002347800000000 ] - [ -0.0003541000000000, -0.0013181900000000, 0.0003471900000000 ] - [ 0.0012251400000000, -0.0014797300000000, -0.0004386800000000 ] - [ 0.0001629600000000, -0.0001236700000000, -0.0000829600000000 ] - [ 0.0008170300000000, 0.0019990400000000, -0.0005870700000000 ] - [ 0.0001720400000000, -0.0000684900000000, -0.0000743000000000 ] - [ -0.0003924900000000, 0.0002967700000000, 0.0001082700000000 ] - [ -0.0010209700000000, 0.0009634500000000, 0.0001276900000000 ] - [ -0.0000935300000000, -0.0004390800000000, 0.0000711500000000 ] - [ 0.0029376200000000, -0.0017930700000000, 0.0001401800000000 ] - [ -0.0003089500000000, -0.0001965700000000, 0.0001852600000000 ] - [ -0.0009255500000000, -0.0003982400000000, 0.0003992100000000 ] - [ -0.0001940600000000, 0.0002948000000000, -0.0000037800000000 ] - [ 0.0004093300000000, 0.0006258500000000, -0.0001641500000000 ] - [ 0.0000538600000000, -0.0023416800000000, -0.0023522700000000 ] - [ 0.0002037700000000, 0.0000055600000000, -0.0000890300000000 ] - [ -0.0001680100000000, 0.0011656900000000, 0.0000319900000000 ] - [ 0.0001676800000000, 0.0001374200000000, -0.0000803100000000 ] - [ -0.0006371000000000, 0.0005321800000000, 0.0003805900000000 ] - [ -0.0004061000000000, 0.0000729100000000, 0.0003657600000000 ] - [ -0.0010823700000000, 0.0009656000000000, 0.0000983000000000 ] - [ -0.0010285900000000, 0.0011748200000000, 0.0001676700000000 ] - [ 0.0014639500000000, 0.0013870900000000, -0.0008969100000000 ] - [ 0.0007913600000000, 0.0007343200000000, -0.0002425800000000 ] - [ 0.0008085500000000, 0.0011967300000000, 0.0001108500000000 ] - [ 0.0007421700000000, 0.0007286900000000, -0.0002569600000000 ] - [ 0.0008064000000000, 0.0008612100000000, 0.0003550600000000 ] - [ 0.0007309300000000, -0.0006934300000000, -0.0002806800000000 ] - [ -0.0035982200000000, -0.0062413300000000, 0.0022991100000000 ] - [ 0.0007219000000000, -0.0007575200000000, -0.0002283800000000 ] - [ -0.0013755700000000, -0.0011156200000000, -0.0000843300000000 ] - [ 0.0013309400000000, -0.0059565800000000, -0.0004762700000000 ] - [ -0.0006659800000000, -0.0004890100000000, 0.0004398500000000 ] - [ -0.0000950100000000, 0.0001386100000000, 0.0004399700000000 ] - [ -0.0003467100000000, -0.0010326500000000, 0.0006231300000000 ] - [ 0.0005059500000000, -0.0013772100000000, 0.0009705100000000 ] - [ 0.0002502700000000, 0.0000497600000000, 0.0006086000000000 ] - [ -0.0000888200000000, -0.0000658900000000, 0.0006245700000000 ] - [ -0.0020774400000000, -0.0055265000000000, 0.0022337300000000 ] - [ -0.0001421300000000, -0.0004358900000000, -0.0006979300000000 ] - [ -0.0008122700000000, 0.0010392200000000, -0.0001816500000000 ] - [ -0.0000832000000000, -0.0004566600000000, -0.0006663900000000 ] - [ -0.0002121500000000, 0.0013147300000000, -0.0007381000000000 ] - [ -0.0000974200000000, 0.0004970600000000, -0.0006735500000000 ] - [ -0.0001939100000000, -0.0001112100000000, -0.0003841800000000 ] - [ -0.0000919800000000, 0.0004056600000000, -0.0006521000000000 ] - [ 0.0002135400000000, 0.0001045000000000, 0.0008073500000000 ] - [ -0.0002335600000000, 0.0001343600000000, 0.0004148500000000 ] - [ -0.0000626700000000, 0.0007469300000000, 0.0006512800000000 ] - [ 0.0002624300000000, 0.0007052300000000, 0.0007288100000000 ] - [ -0.0032812400000000, 0.0331953200000000, 0.0009023500000000 ] - [ 0.0003441100000000, 0.0001416600000000, 0.0001620600000000 ] - [ 0.0001679100000000, -0.0017509800000000, 0.0000567800000000 ] - [ 0.0002433800000000, 0.0000484500000000, 0.0001545600000000 ] - [ -0.0004878700000000, 0.0000928000000000, -0.0001271100000000 ] - [ 0.0016165800000000, -0.0010102500000000, -0.0008689300000000 ] - [ 0.0001435400000000, 0.0000935800000000, -0.0001473600000000 ] - [ -0.0022888000000000, -0.0010109100000000, 0.0005092600000000 ] - [ -0.0003606400000000, -0.0001248300000000, -0.0001519000000000 ] - [ 0.0003863000000000, -0.0005691600000000, 0.0001693500000000 ] - [ 0.0000061200000000, -0.0000951800000000, -0.0001783800000000 ] - [ -0.0010811200000000, -0.0001729600000000, -0.0007793100000000 ] - [ 0.0001675000000000, 0.0016167200000000, -0.0003418700000000 ] - [ 0.0002518700000000, -0.0000554000000000, 0.0001431500000000 ] - [ 0.0001859200000000, -0.0012241700000000, 0.0003994800000000 ] - [ 0.0002672300000000, -0.0001522900000000, 0.0001581400000000 ] - [ -0.0065593200000000, -0.0078125000000000, -0.0062058500000000 ] - [ 0.0002883400000000, 0.0004236800000000, 0.0000906100000000 ] - [ 0.0078496300000000, -0.0082222900000000, 0.0045278000000000 ] - [ -0.0000773800000000, 0.0007955700000000, -0.0000064500000000 ] - [ 0.0017627300000000, 0.0045808600000000, 0.0003361100000000 ] - [ 0.0015950900000000, 0.0059788900000000, 0.0005299300000000 ] - [ -0.0004506400000000, -0.0018918200000000, -0.0006083700000000 ] - [ -0.0000575000000000, -0.0010640000000000, -0.0003102300000000 ] - [ -0.0004890100000000, 0.0012564100000000, -0.0005977800000000 ] - [ 0.0003314800000000, 0.0007871600000000, -0.0001855100000000 ] - [ 0.0006652300000000, -0.0023221800000000, 0.0003749100000000 ] - [ -0.0002391000000000, -0.0016252800000000, 0.0000422200000000 ] - [ -0.0019738500000000, -0.0031779200000000, 0.0023122000000000 ] - [ 0.0000729300000000, -0.0007179600000000, 0.0000905400000000 ] - [ 0.0029424000000000, -0.0025579500000000, -0.0039825300000000 ] - [ -0.0000502500000000, -0.0004367500000000, 0.0001258400000000 ]- atom: 65 displacement: [ -0.0000313680234493, 0.0000000000000000, 0.0099999508022342 ] forces: - [ 0.0001979900000000, 0.0009253800000000, -0.0008278400000000 ] - [ 0.0001082800000000, 0.0008236400000000, 0.0000115300000000 ] - [ 0.0007092400000000, -0.0006979600000000, -0.0018559900000000 ] - [ 0.0001343100000000, 0.0007964600000000, 0.0000103900000000 ] - [ 0.0008052400000000, 0.0016433900000000, -0.0006436200000000 ] - [ -0.0002607400000000, 0.0009309600000000, -0.0002262800000000 ] - [ 0.0001306200000000, 0.0010214400000000, -0.0001401800000000 ] - [ -0.0001397900000000, 0.0008500100000000, -0.0000798200000000 ] - [ -0.0008734200000000, -0.0002697900000000, 0.0004791300000000 ] - [ -0.0001156700000000, -0.0006094300000000, 0.0002375100000000 ] - [ -0.0008521600000000, -0.0001838100000000, 0.0003365200000000 ] - [ -0.0000698300000000, -0.0007996700000000, 0.0000003500000000 ] - [ -0.0002587300000000, -0.0018422700000000, 0.0014492000000000 ] - [ 0.0001319700000000, -0.0008103700000000, 0.0000498800000000 ] - [ -0.0002440200000000, -0.0010100800000000, 0.0024341200000000 ] - [ 0.0000990400000000, -0.0008674000000000, 0.0001270600000000 ] - [ -0.0023174000000000, -0.0028965400000000, 0.0041666100000000 ] - [ 0.0002169400000000, -0.0000566200000000, -0.0000903000000000 ] - [ 0.0002347200000000, 0.0005438100000000, -0.0003739900000000 ] - [ 0.0002144100000000, -0.0000630200000000, -0.0000981500000000 ] - [ -0.0003288800000000, 0.0000501100000000, 0.0001474400000000 ] - [ -0.0002766900000000, 0.0000621600000000, 0.0002551100000000 ] - [ -0.0002482800000000, -0.0000052800000000, 0.0001865900000000 ] - [ -0.0016412800000000, 0.0000355000000000, 0.0011448900000000 ] - [ -0.0001568100000000, 0.0001976300000000, -0.0000024300000000 ] - [ 0.0002525600000000, 0.0001933700000000, -0.0004085900000000 ] - [ -0.0001868600000000, 0.0001205200000000, -0.0000119600000000 ] - [ -0.0001198000000000, 0.0001814800000000, -0.0001929000000000 ] - [ 0.0022194500000000, -0.0013758700000000, 0.0090292800000000 ] - [ 0.0002123200000000, 0.0000738600000000, -0.0000748500000000 ] - [ 0.0002331900000000, 0.0001689200000000, 0.0000411800000000 ] - [ 0.0002075200000000, 0.0000731300000000, -0.0000647400000000 ] - [ -0.0008087800000000, 0.0008206200000000, 0.0001593400000000 ] - [ -0.0010714400000000, 0.0009143500000000, -0.0008975500000000 ] - [ -0.0006454200000000, 0.0006736100000000, 0.0002829600000000 ] - [ -0.0008535600000000, 0.0007283900000000, 0.0001223300000000 ] - [ 0.0016446900000000, 0.0020795800000000, -0.0010322800000000 ] - [ 0.0008119800000000, 0.0007441700000000, -0.0002425600000000 ] - [ 0.0005506900000000, -0.0003587500000000, -0.0008608800000000 ] - [ 0.0008130700000000, 0.0007310500000000, -0.0002498200000000 ] - [ 0.0009561900000000, -0.0015502800000000, 0.0002262400000000 ] - [ 0.0007691000000000, -0.0007284200000000, -0.0002593900000000 ] - [ -0.0022808300000000, -0.0028989600000000, 0.0032880900000000 ] - [ 0.0008095700000000, -0.0007505800000000, -0.0002415200000000 ] - [ -0.0008570600000000, -0.0006722800000000, 0.0003051600000000 ] - [ -0.0008966300000000, -0.0004638100000000, 0.0020338900000000 ] - [ -0.0010438200000000, -0.0007982900000000, 0.0002336600000000 ] - [ -0.0006690300000000, -0.0007028300000000, 0.0004331700000000 ] - [ -0.0000346100000000, -0.0005480600000000, 0.0008649100000000 ] - [ 0.0007396900000000, -0.0006257200000000, 0.0012821400000000 ] - [ -0.0000550200000000, -0.0005627800000000, 0.0006152300000000 ] - [ 0.0001685100000000, -0.0005136300000000, 0.0007440500000000 ] - [ -0.0004837700000000, -0.0008644900000000, 0.0028865400000000 ] - [ -0.0000950900000000, -0.0004269800000000, -0.0006482600000000 ] - [ -0.0001788100000000, -0.0001786800000000, 0.0007817900000000 ] - [ -0.0000891800000000, -0.0004530100000000, -0.0006438700000000 ] - [ -0.0000742800000000, 0.0005344900000000, -0.0014236100000000 ] - [ -0.0000798000000000, 0.0004456500000000, -0.0006878000000000 ] - [ 0.0000011500000000, 0.0006861100000000, -0.0035636400000000 ] - [ -0.0000887600000000, 0.0004475800000000, -0.0007103600000000 ] - [ 0.0001477100000000, 0.0004511200000000, 0.0005983800000000 ] - [ -0.0002723700000000, 0.0003899700000000, 0.0002539800000000 ] - [ 0.0002323500000000, 0.0002238900000000, 0.0006809200000000 ] - [ -0.0000183300000000, 0.0003120700000000, 0.0005491700000000 ] - [ 0.0018068900000000, -0.0006860000000000, -0.0258400400000000 ] - [ 0.0002507200000000, 0.0000969000000000, 0.0001351300000000 ] - [ 0.0001196800000000, 0.0002003200000000, -0.0002855300000000 ] - [ 0.0002664900000000, 0.0001039100000000, 0.0001429700000000 ] - [ -0.0000484500000000, 0.0001115900000000, -0.0001205100000000 ] - [ -0.0011528500000000, 0.0007710500000000, -0.0005006800000000 ] - [ -0.0001076400000000, 0.0001341800000000, -0.0001206300000000 ] - [ -0.0011716300000000, -0.0006173300000000, -0.0004996800000000 ] - [ -0.0002446800000000, -0.0001070400000000, -0.0001960900000000 ] - [ 0.0000964400000000, -0.0004249100000000, 0.0001121400000000 ] - [ -0.0003955900000000, -0.0000793000000000, -0.0001743400000000 ] - [ 0.0007559000000000, 0.0005145000000000, 0.0005731400000000 ] - [ 0.0002646800000000, -0.0005990300000000, 0.0043802100000000 ] - [ 0.0002130600000000, -0.0001171300000000, 0.0001691200000000 ] - [ 0.0002938100000000, 0.0001391200000000, 0.0006403400000000 ] - [ 0.0002004600000000, -0.0001022900000000, 0.0001666100000000 ] - [ 0.0048648600000000, 0.0080458500000000, -0.0037076800000000 ] - [ -0.0000431300000000, 0.0005438200000000, 0.0000915100000000 ] - [ 0.0050585500000000, -0.0047692200000000, 0.0002035600000000 ] - [ -0.0000886600000000, 0.0006008400000000, 0.0000597400000000 ] - [ 0.0004918000000000, 0.0002692500000000, -0.0015677900000000 ] - [ 0.0009302100000000, -0.0000869500000000, -0.0022510200000000 ] - [ 0.0006657200000000, 0.0005776300000000, -0.0005954400000000 ] - [ -0.0000260400000000, 0.0005456500000000, -0.0003433900000000 ] - [ -0.0001925000000000, -0.0012896300000000, 0.0010309300000000 ] - [ -0.0001329800000000, -0.0008662300000000, 0.0011415700000000 ] - [ -0.0005017100000000, -0.0002750200000000, 0.0003698600000000 ] - [ 0.0000307800000000, -0.0005882800000000, 0.0002023400000000 ] - [ -0.0016777400000000, -0.0023418700000000, 0.0008495900000000 ] - [ -0.0000139800000000, -0.0006168100000000, 0.0000926200000000 ] - [ -0.0056214900000000, 0.0071561300000000, 0.0058263200000000 ] - [ 0.0000434400000000, -0.0005324600000000, 0.0001195000000000 ]- atom: 65 displacement: [ 0.0000313680234493, 0.0000000000000000, -0.0099999508022342 ] forces: - [ 0.0000434500000000, 0.0007121900000000, 0.0009151200000000 ] - [ 0.0001402700000000, 0.0008169100000000, 0.0000736700000000 ] - [ -0.0004655700000000, 0.0023487200000000, 0.0019505000000000 ] - [ 0.0001117100000000, 0.0008471900000000, 0.0000765100000000 ] - [ -0.0010549100000000, -0.0000013400000000, 0.0005552300000000 ] - [ 0.0000170000000000, 0.0007141200000000, 0.0001350100000000 ] - [ -0.0003782900000000, 0.0006205300000000, 0.0000527200000000 ] - [ -0.0001060500000000, 0.0007924400000000, -0.0000079700000000 ] - [ 0.0006285300000000, -0.0013733000000000, -0.0005640200000000 ] - [ -0.0001357400000000, -0.0010295700000000, -0.0003201500000000 ] - [ 0.0006070300000000, -0.0014611100000000, -0.0004251500000000 ] - [ -0.0001768000000000, -0.0008426600000000, -0.0000872800000000 ] - [ 0.0005069200000000, 0.0001977900000000, -0.0013572400000000 ] - [ 0.0001133400000000, -0.0008334800000000, 0.0000368400000000 ] - [ 0.0004827300000000, -0.0006296700000000, -0.0023490200000000 ] - [ 0.0001412200000000, -0.0007816900000000, -0.0000369800000000 ] - [ 0.0028082000000000, 0.0029504300000000, -0.0040206200000000 ] - [ 0.0002310100000000, -0.0000650900000000, -0.0000755800000000 ] - [ 0.0002138500000000, -0.0006681000000000, 0.0002091300000000 ] - [ 0.0002329000000000, -0.0000580300000000, -0.0000682900000000 ] - [ -0.0001186900000000, -0.0001728000000000, 0.0000164000000000 ] - [ -0.0001769400000000, -0.0001760400000000, -0.0000909300000000 ] - [ -0.0001995000000000, -0.0001173100000000, -0.0000232100000000 ] - [ 0.0011837000000000, -0.0001551800000000, -0.0009896500000000 ] - [ -0.0002923600000000, -0.0000791200000000, 0.0001679100000000 ] - [ -0.0006972600000000, -0.0000754600000000, 0.0005748800000000 ] - [ -0.0002626400000000, -0.0000017000000000, 0.0001780300000000 ] - [ -0.0003307200000000, -0.0000636900000000, 0.0003598700000000 ] - [ -0.0016377300000000, 0.0012436500000000, -0.0099471300000000 ] - [ 0.0002377500000000, 0.0000457800000000, -0.0000919700000000 ] - [ 0.0002165200000000, -0.0000494100000000, -0.0002084700000000 ] - [ 0.0002433200000000, 0.0000460000000000, -0.0001017500000000 ] - [ -0.0008382500000000, 0.0006670800000000, 0.0003276100000000 ] - [ -0.0005639800000000, 0.0005729200000000, 0.0013843300000000 ] - [ -0.0009960300000000, 0.0008116800000000, 0.0002057300000000 ] - [ -0.0007931800000000, 0.0007588900000000, 0.0003642000000000 ] - [ -0.0000016900000000, -0.0006039800000000, 0.0005464500000000 ] - [ 0.0008310500000000, 0.0007432500000000, -0.0002478600000000 ] - [ 0.0011009800000000, 0.0018545100000000, 0.0003748200000000 ] - [ 0.0008294600000000, 0.0007565800000000, -0.0002411800000000 ] - [ 0.0006957300000000, 0.0000613400000000, -0.0007074600000000 ] - [ 0.0008691200000000, -0.0007555800000000, -0.0002321100000000 ] - [ 0.0039127300000000, 0.0012290000000000, -0.0036913300000000 ] - [ 0.0008403000000000, -0.0007384400000000, -0.0002452600000000 ] - [ -0.0007759900000000, -0.0008112000000000, 0.0001873100000000 ] - [ -0.0007162800000000, -0.0010607700000000, -0.0015558100000000 ] - [ -0.0006014200000000, -0.0006905500000000, 0.0002537900000000 ] - [ -0.0009782700000000, -0.0007871000000000, 0.0000534500000000 ] - [ 0.0001972800000000, -0.0003385800000000, 0.0004843800000000 ] - [ -0.0005781700000000, -0.0002645200000000, 0.0000734100000000 ] - [ 0.0002154700000000, -0.0003236400000000, 0.0007306100000000 ] - [ -0.0000088400000000, -0.0003699000000000, 0.0005999300000000 ] - [ 0.0003107400000000, -0.0000399700000000, -0.0042071000000000 ] - [ -0.0000667400000000, -0.0004597700000000, -0.0006999100000000 ] - [ 0.0000184900000000, -0.0007121400000000, -0.0021330200000000 ] - [ -0.0000717200000000, -0.0004306300000000, -0.0007024200000000 ] - [ -0.0000884800000000, 0.0003540400000000, 0.0000758600000000 ] - [ -0.0000803300000000, 0.0004399900000000, -0.0006583800000000 ] - [ -0.0001644000000000, 0.0002072300000000, 0.0022079100000000 ] - [ -0.0000718800000000, 0.0004395200000000, -0.0006367200000000 ] - [ 0.0000124000000000, 0.0004349000000000, 0.0007444300000000 ] - [ 0.0004351200000000, 0.0004906700000000, 0.0010845700000000 ] - [ -0.0000728100000000, 0.0006609100000000, 0.0006626300000000 ] - [ 0.0001780700000000, 0.0005690700000000, 0.0007917500000000 ] - [ -0.0015997500000000, 0.0012209500000000, 0.0266387200000000 ] - [ 0.0001868100000000, 0.0001128100000000, 0.0001713600000000 ] - [ 0.0003178600000000, 0.0000102200000000, 0.0005929400000000 ] - [ 0.0001704600000000, 0.0001058100000000, 0.0001633100000000 ] - [ -0.0003873200000000, 0.0001010800000000, -0.0001882100000000 ] - [ 0.0007155900000000, -0.0005597900000000, 0.0001847800000000 ] - [ -0.0003304800000000, 0.0000792000000000, -0.0001878900000000 ] - [ 0.0007368500000000, 0.0008318600000000, 0.0001859000000000 ] - [ -0.0001914200000000, -0.0001023400000000, -0.0001111900000000 ] - [ -0.0005365200000000, 0.0002182100000000, -0.0004179200000000 ] - [ -0.0000407400000000, -0.0001306500000000, -0.0001324800000000 ] - [ -0.0011998600000000, -0.0007297400000000, -0.0008793000000000 ] - [ 0.0001766200000000, 0.0003916400000000, -0.0040746000000000 ] - [ 0.0002234700000000, -0.0000958800000000, 0.0001371600000000 ] - [ 0.0001435900000000, -0.0003529700000000, -0.0003356600000000 ] - [ 0.0002368500000000, -0.0001105600000000, 0.0001398400000000 ] - [ -0.0049890100000000, -0.0068723200000000, 0.0038426400000000 ] - [ -0.0000859000000000, 0.0006113800000000, 0.0000933700000000 ] - [ -0.0051935500000000, 0.0059288900000000, -0.0000462400000000 ] - [ -0.0000425200000000, 0.0005573500000000, 0.0001233800000000 ] - [ -0.0003827700000000, 0.0008800000000000, 0.0013825300000000 ] - [ -0.0007543600000000, 0.0012562200000000, 0.0020646700000000 ] - [ -0.0005328400000000, 0.0005797700000000, 0.0004097100000000 ] - [ 0.0001620000000000, 0.0006099300000000, 0.0001566300000000 ] - [ 0.0003336200000000, 0.0001362300000000, -0.0012206200000000 ] - [ 0.0002482300000000, -0.0002861400000000, -0.0013289000000000 ] - [ 0.0006376200000000, -0.0008806900000000, -0.0005586400000000 ] - [ 0.0001012700000000, -0.0005679900000000, -0.0003893200000000 ] - [ 0.0015567800000000, 0.0012003000000000, -0.0006541200000000 ] - [ -0.0001190500000000, -0.0005361500000000, 0.0000942300000000 ] - [ 0.0055094900000000, -0.0083488800000000, -0.0056554000000000 ] - [ -0.0001757700000000, -0.0006236100000000, 0.0000682800000000 ]- atom: 81 displacement: [ 0.0099997061045471, 0.0000000000000000, 0.0000766669595341 ] forces: - [ 0.0050278400000000, -0.0003308700000000, -0.0023405700000000 ] - [ -0.0017100700000000, 0.0019480300000000, 0.0006849700000000 ] - [ 0.0022304000000000, -0.0002513600000000, -0.0004101900000000 ] - [ -0.0014499800000000, 0.0019083800000000, 0.0006708900000000 ] - [ 0.0025228100000000, 0.0043237300000000, -0.0010888500000000 ] - [ -0.0016577800000000, -0.0008907200000000, 0.0009914800000000 ] - [ 0.0025586200000000, 0.0022722400000000, -0.0005437100000000 ] - [ -0.0018388100000000, 0.0000446900000000, 0.0002605100000000 ] - [ 0.0007523000000000, 0.0088688500000000, 0.0045509600000000 ] - [ -0.0028240100000000, -0.0001917000000000, 0.0003325500000000 ] - [ 0.0024640900000000, -0.0037631100000000, -0.0017642500000000 ] - [ -0.0018381400000000, 0.0009457500000000, 0.0010197700000000 ] - [ 0.0100086000000000, -0.0043802600000000, 0.0016763100000000 ] - [ -0.0018976300000000, -0.0020761900000000, 0.0006956000000000 ] - [ 0.0052389400000000, 0.0020475100000000, -0.0021571300000000 ] - [ -0.0019977100000000, -0.0022216100000000, 0.0008358300000000 ] - [ 0.0488111600000000, 0.0377670200000000, -0.0055819900000000 ] - [ -0.0019836500000000, -0.0012094200000000, -0.0000156300000000 ] - [ 0.0038234400000000, 0.0041695900000000, -0.0002183100000000 ] - [ -0.0013564700000000, -0.0009341100000000, -0.0000550700000000 ] - [ -0.0013530400000000, -0.0014702100000000, 0.0014983300000000 ] - [ -0.0037973300000000, 0.0025575900000000, -0.0013056800000000 ] - [ -0.0042964500000000, 0.0044158000000000, 0.0006481200000000 ] - [ -0.0002559700000000, -0.0005759400000000, -0.0002443900000000 ] - [ -0.0013191800000000, 0.0013320600000000, -0.0020820100000000 ] - [ -0.0042999100000000, -0.0028288100000000, 0.0023265000000000 ] - [ -0.0007744800000000, 0.0000342900000000, 0.0000954500000000 ] - [ -0.0003099700000000, 0.0001793300000000, 0.0001864400000000 ] - [ 0.0025066700000000, -0.0020118100000000, -0.0004420900000000 ] - [ -0.0015875200000000, 0.0010871500000000, 0.0001756400000000 ] - [ 0.0036657000000000, -0.0010062400000000, -0.0008529900000000 ] - [ -0.0014165900000000, 0.0008845000000000, 0.0001288400000000 ] - [ -0.0028583000000000, 0.0016558100000000, -0.0001033800000000 ] - [ -0.0019223000000000, 0.0000897100000000, 0.0007460900000000 ] - [ -0.0013383500000000, 0.0004855700000000, 0.0000822100000000 ] - [ -0.0027351500000000, 0.0022443200000000, 0.0008279600000000 ] - [ 0.0060840600000000, 0.0023080000000000, 0.0014270700000000 ] - [ -0.0020965200000000, -0.0000251500000000, -0.0006168900000000 ] - [ 0.0035492900000000, 0.0015085500000000, 0.0003531600000000 ] - [ -0.0015560000000000, 0.0002798900000000, -0.0004902200000000 ] - [ 0.0976511400000000, -0.0342525300000000, 0.0181789200000000 ] - [ -0.0028672200000000, -0.0001141800000000, -0.0007947300000000 ] - [ 0.0043930600000000, -0.0029326000000000, 0.0000577000000000 ] - [ -0.0020851800000000, 0.0000852800000000, -0.0007695900000000 ] - [ -0.0040701000000000, 0.0006448800000000, 0.0018130400000000 ] - [ -0.0059600200000000, -0.0041115400000000, -0.0019188400000000 ] - [ -0.0036795700000000, -0.0021145400000000, -0.0002615000000000 ] - [ -0.0023337300000000, 0.0003793600000000, -0.0004500300000000 ] - [ -0.0006387100000000, 0.0031948000000000, -0.0005553000000000 ] - [ -0.0006233500000000, -0.0009570700000000, 0.0007998900000000 ] - [ -0.0016366300000000, -0.0050852300000000, 0.0019777700000000 ] - [ -0.0022796000000000, 0.0011297200000000, 0.0000923000000000 ] - [ 0.0241993800000000, 0.0096719300000000, 0.0182767700000000 ] - [ -0.0012881400000000, -0.0006824600000000, -0.0007420100000000 ] - [ 0.0015425800000000, -0.0002805100000000, -0.0011853200000000 ] - [ -0.0010293700000000, -0.0005571500000000, -0.0006696500000000 ] - [ 0.0045707100000000, -0.0017051900000000, -0.0015440100000000 ] - [ -0.0009702300000000, 0.0005857000000000, -0.0006527300000000 ] - [ 0.0016686500000000, -0.0007704300000000, 0.0003390100000000 ] - [ -0.0009817400000000, 0.0006101700000000, -0.0006327600000000 ] - [ 0.0000868900000000, -0.0003890800000000, 0.0006589400000000 ] - [ -0.0006938600000000, 0.0000612000000000, 0.0009721100000000 ] - [ 0.0000724700000000, 0.0000497900000000, 0.0013473400000000 ] - [ -0.0001754400000000, 0.0008105900000000, 0.0007015400000000 ] - [ -0.0014417700000000, 0.0066719700000000, 0.0050396000000000 ] - [ 0.0028139800000000, -0.0002488800000000, 0.0001817200000000 ] - [ -0.0045395900000000, -0.0078146800000000, 0.0052591600000000 ] - [ 0.0023298300000000, 0.0001175400000000, 0.0001351100000000 ] - [ 0.0071845400000000, 0.0018241300000000, 0.0002960500000000 ] - [ 0.0120059200000000, 0.0016272500000000, 0.0007059500000000 ] - [ 0.0010197800000000, -0.0004226900000000, 0.0004471500000000 ] - [ -0.0003727100000000, -0.0000170700000000, -0.0002491200000000 ] - [ 0.0010724200000000, 0.0004589500000000, -0.0004039700000000 ] - [ 0.0004022200000000, -0.0003659100000000, -0.0003311400000000 ] - [ 0.0008774700000000, -0.0007124300000000, -0.0007184400000000 ] - [ -0.0007111100000000, 0.0001997100000000, -0.0001887100000000 ] - [ -0.0015575100000000, 0.0028764400000000, -0.0053695300000000 ] - [ 0.0022601300000000, -0.0000927300000000, 0.0002704200000000 ] - [ -0.0016027400000000, -0.0020127000000000, -0.0014630600000000 ] - [ 0.0017159400000000, 0.0000324200000000, 0.0002111300000000 ] - [ -0.1958937700000000, -0.0074758700000000, -0.0278083800000000 ] - [ 0.0068353700000000, 0.0008263700000000, -0.0003468100000000 ] - [ -0.0098942300000000, -0.0003375300000000, 0.0025497700000000 ] - [ 0.0051812400000000, 0.0006259600000000, -0.0003322500000000 ] - [ 0.0058870600000000, -0.0233149500000000, -0.0143036800000000 ] - [ 0.0062277600000000, 0.0038113300000000, 0.0004737400000000 ] - [ 0.0057417900000000, 0.0112025300000000, -0.0050899600000000 ] - [ 0.0062351900000000, -0.0030921900000000, 0.0006422800000000 ] - [ -0.0005099500000000, -0.0057498800000000, 0.0076697200000000 ] - [ 0.0054998600000000, 0.0026978000000000, -0.0022570400000000 ] - [ -0.0014565000000000, 0.0009955700000000, 0.0019735800000000 ] - [ 0.0038057900000000, -0.0024172400000000, -0.0010376700000000 ] - [ -0.0135577600000000, -0.0007788300000000, 0.0003837700000000 ] - [ 0.0053524700000000, -0.0006072100000000, -0.0003762300000000 ] - [ -0.0073421800000000, -0.0000680900000000, -0.0005319600000000 ] - [ 0.0047865100000000, -0.0009008700000000, -0.0003713600000000 ]- atom: 81 displacement: [ -0.0099997061045471, 0.0000000000000000, -0.0000766669595341 ] forces: - [ -0.0047284000000000, 0.0019312200000000, 0.0024278200000000 ] - [ 0.0019567700000000, -0.0003053600000000, -0.0005987200000000 ] - [ -0.0019780000000000, 0.0019019500000000, 0.0004998500000000 ] - [ 0.0016948500000000, -0.0002606200000000, -0.0005810800000000 ] - [ -0.0027553700000000, -0.0026591900000000, 0.0009937600000000 ] - [ 0.0014101800000000, 0.0025379000000000, -0.0010805300000000 ] - [ -0.0027735400000000, -0.0006085200000000, 0.0004454800000000 ] - [ 0.0015885300000000, 0.0015959000000000, -0.0003457500000000 ] - [ -0.0005032300000000, -0.0107630300000000, -0.0047485600000000 ] - [ 0.0025804200000000, -0.0014481600000000, -0.0004180300000000 ] - [ -0.0027088600000000, 0.0021244800000000, 0.0016820400000000 ] - [ 0.0015888700000000, -0.0025880700000000, -0.0011067700000000 ] - [ -0.0096273400000000, 0.0027990300000000, -0.0016355800000000 ] - [ 0.0021419800000000, 0.0004276000000000, -0.0006049600000000 ] - [ -0.0049608800000000, -0.0036765600000000, 0.0022320000000000 ] - [ 0.0022466700000000, 0.0005808700000000, -0.0007499600000000 ] - [ -0.0491368300000000, -0.0394746900000000, 0.0058306600000000 ] - [ 0.0024277000000000, 0.0010890100000000, -0.0001510200000000 ] - [ -0.0033789300000000, -0.0042752000000000, 0.0000509500000000 ] - [ 0.0018077400000000, 0.0008179200000000, -0.0001114900000000 ] - [ 0.0009159600000000, 0.0013114700000000, -0.0013199500000000 ] - [ 0.0033475100000000, -0.0026797800000000, 0.0014783600000000 ] - [ 0.0038264300000000, -0.0045021500000000, -0.0004795400000000 ] - [ -0.0002017600000000, 0.0004668100000000, 0.0004115400000000 ] - [ 0.0008722700000000, -0.0011982100000000, 0.0022247100000000 ] - [ 0.0038669900000000, 0.0029570000000000, -0.0021766600000000 ] - [ 0.0003357300000000, 0.0000947000000000, 0.0000691600000000 ] - [ -0.0001467600000000, -0.0000665600000000, -0.0000192800000000 ] - [ -0.0020598000000000, 0.0021221300000000, 0.0002752000000000 ] - [ 0.0020348500000000, -0.0009663700000000, -0.0003399200000000 ] - [ -0.0032397900000000, 0.0011399800000000, 0.0007017800000000 ] - [ 0.0018698900000000, -0.0007700500000000, -0.0002951300000000 ] - [ 0.0012145900000000, -0.0001651100000000, 0.0005910000000000 ] - [ 0.0002598400000000, 0.0014047200000000, -0.0002634200000000 ] - [ -0.0002908700000000, 0.0009953700000000, 0.0004052300000000 ] - [ 0.0010747400000000, -0.0007551900000000, -0.0003470100000000 ] - [ -0.0044630300000000, -0.0008270500000000, -0.0019171700000000 ] - [ 0.0037402100000000, 0.0015117600000000, 0.0001279300000000 ] - [ -0.0018952000000000, -0.0000124000000000, -0.0008366600000000 ] - [ 0.0032036300000000, 0.0012115200000000, 0.0000025800000000 ] - [ -0.1011406100000000, 0.0356087700000000, -0.0197810200000000 ] - [ 0.0045032100000000, -0.0013738400000000, 0.0003056900000000 ] - [ -0.0027507100000000, 0.0014461400000000, -0.0005465500000000 ] - [ 0.0037344500000000, -0.0015713400000000, 0.0002826600000000 ] - [ 0.0024312100000000, -0.0021181300000000, -0.0013122800000000 ] - [ 0.0043286400000000, 0.0026416700000000, 0.0024198700000000 ] - [ 0.0020719200000000, 0.0006355800000000, 0.0007660100000000 ] - [ 0.0006752300000000, -0.0018731000000000, 0.0009365900000000 ] - [ 0.0007981700000000, -0.0040617700000000, 0.0018993100000000 ] - [ 0.0007841000000000, 0.0000734500000000, 0.0005472000000000 ] - [ 0.0018075400000000, 0.0041482800000000, -0.0006014400000000 ] - [ 0.0024420900000000, -0.0020190000000000, 0.0012553100000000 ] - [ -0.0241416600000000, -0.0104555400000000, -0.0193962300000000 ] - [ 0.0011254400000000, -0.0002049000000000, -0.0006044900000000 ] - [ -0.0017042200000000, -0.0005968400000000, -0.0001629800000000 ] - [ 0.0008692400000000, -0.0003240700000000, -0.0006757900000000 ] - [ -0.0047096800000000, 0.0026158900000000, 0.0002730800000000 ] - [ 0.0008098300000000, 0.0002976700000000, -0.0006944700000000 ] - [ -0.0018262500000000, 0.0016536000000000, -0.0016829400000000 ] - [ 0.0008202600000000, 0.0002772100000000, -0.0007147000000000 ] - [ 0.0000829200000000, 0.0012626800000000, 0.0006864000000000 ] - [ 0.0008513300000000, 0.0008179700000000, 0.0003679900000000 ] - [ 0.0000915000000000, 0.0008394100000000, -0.0000089200000000 ] - [ 0.0003327400000000, 0.0000695300000000, 0.0006422300000000 ] - [ 0.0019144300000000, -0.0064648500000000, -0.0047455400000000 ] - [ -0.0023718600000000, 0.0004571300000000, 0.0001244700000000 ] - [ 0.0050125500000000, 0.0080372800000000, -0.0049646800000000 ] - [ -0.0018947300000000, 0.0000955000000000, 0.0001712100000000 ] - [ -0.0075549500000000, -0.0015913000000000, -0.0006031800000000 ] - [ -0.0125398200000000, -0.0014030600000000, -0.0010234300000000 ] - [ -0.0014594600000000, 0.0006244000000000, -0.0007517300000000 ] - [ -0.0000587800000000, 0.0002281900000000, -0.0000566800000000 ] - [ -0.0015170800000000, -0.0006593800000000, 0.0000981400000000 ] - [ -0.0008271400000000, 0.0001584800000000, 0.0000260700000000 ] - [ -0.0013170500000000, 0.0004943400000000, 0.0004072900000000 ] - [ 0.0002788600000000, -0.0004105900000000, -0.0001187400000000 ] - [ 0.0020158000000000, -0.0030823600000000, 0.0056842500000000 ] - [ -0.0018208800000000, -0.0001220000000000, 0.0000379700000000 ] - [ 0.0020571300000000, 0.0017825100000000, 0.0017706900000000 ] - [ -0.0012807500000000, -0.0002454500000000, 0.0000970600000000 ] - [ 0.2007947200000000, 0.0075832600000000, 0.0286556500000000 ] - [ -0.0069624600000000, 0.0003361600000000, 0.0005332400000000 ] - [ 0.0097526500000000, 0.0014670000000000, -0.0023563600000000 ] - [ -0.0053133100000000, 0.0005222900000000, 0.0005202800000000 ] - [ -0.0057381000000000, 0.0242843900000000, 0.0139907800000000 ] - [ -0.0061022100000000, -0.0026730100000000, -0.0006661300000000 ] - [ -0.0057427500000000, -0.0100198600000000, 0.0048351600000000 ] - [ -0.0060925400000000, 0.0042595200000000, -0.0008321100000000 ] - [ 0.0005842000000000, 0.0045786600000000, -0.0077952700000000 ] - [ -0.0053646100000000, -0.0038705000000000, 0.0020820000000000 ] - [ 0.0015497300000000, -0.0021673500000000, -0.0021397700000000 ] - [ -0.0036590300000000, 0.0012630100000000, 0.0008524000000000 ] - [ 0.0134220200000000, -0.0003701800000000, -0.0001924300000000 ] - [ -0.0054828500000000, -0.0005413300000000, 0.0005631300000000 ] - [ 0.0071917300000000, -0.0010967900000000, 0.0007165400000000 ] - [ -0.0049179600000000, -0.0002625300000000, 0.0005563300000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006837300000000, 0.0072466600000000, 0.0048824400000000 ] - [ -0.0005414100000000, 0.0017130500000000, 0.0005390300000000 ] - [ 0.0015205200000000, -0.0025226100000000, -0.0015379400000000 ] - [ 0.0005922800000000, 0.0000905200000000, -0.0003667600000000 ] - [ -0.0009759000000000, -0.0014692200000000, 0.0006566700000000 ] - [ -0.0007604600000000, 0.0001714200000000, 0.0002201700000000 ] - [ 0.0009586200000000, 0.0027186100000000, -0.0001955700000000 ] - [ 0.0003531200000000, 0.0012659900000000, -0.0000676900000000 ] - [ -0.0019465700000000, 0.0063543900000000, 0.0008665700000000 ] - [ -0.0008071500000000, 0.0001398000000000, 0.0002833600000000 ] - [ 0.0020745600000000, -0.0055355100000000, -0.0026230500000000 ] - [ 0.0004486300000000, -0.0017274900000000, -0.0005008100000000 ] - [ -0.0103115300000000, 0.0140324600000000, -0.0101287900000000 ] - [ 0.0006992000000000, 0.0000143700000000, -0.0003837300000000 ] - [ 0.0000816200000000, -0.0072560300000000, 0.0014300900000000 ] - [ -0.0006503800000000, -0.0018100300000000, 0.0005961100000000 ] - [ 0.0376089000000000, 0.0614214100000000, -0.0073895800000000 ] - [ 0.0008737400000000, 0.0005690200000000, -0.0001533600000000 ] - [ -0.0018028500000000, -0.0076019300000000, -0.0002140600000000 ] - [ -0.0005191400000000, -0.0007420200000000, -0.0001226100000000 ] - [ -0.0025166900000000, 0.0037816600000000, 0.0008399700000000 ] - [ 0.0014311800000000, -0.0001638300000000, 0.0008204300000000 ] - [ 0.0025639000000000, -0.0041731700000000, -0.0004087100000000 ] - [ -0.0006424200000000, -0.0006479000000000, -0.0000537800000000 ] - [ 0.0011070100000000, 0.0022677500000000, 0.0004236300000000 ] - [ -0.0013126300000000, 0.0012243500000000, 0.0003105200000000 ] - [ -0.0013867500000000, -0.0019256700000000, 0.0003789100000000 ] - [ -0.0002784600000000, -0.0007778100000000, 0.0000691500000000 ] - [ 0.0014323900000000, -0.0027478400000000, -0.0009617100000000 ] - [ 0.0007601000000000, -0.0004388600000000, -0.0002206900000000 ] - [ -0.0012753600000000, 0.0029274200000000, 0.0022406700000000 ] - [ -0.0004590400000000, 0.0006548200000000, 0.0001614100000000 ] - [ 0.0012057900000000, -0.0001835900000000, 0.0007171800000000 ] - [ -0.0032626400000000, 0.0006549300000000, 0.0006879000000000 ] - [ -0.0017528500000000, 0.0012211700000000, 0.0000841400000000 ] - [ 0.0009376100000000, 0.0001696100000000, -0.0000112600000000 ] - [ 0.0032833200000000, 0.0043384300000000, 0.0004774400000000 ] - [ 0.0011688200000000, 0.0012983400000000, -0.0000357000000000 ] - [ -0.0001782500000000, -0.0009142100000000, -0.0005651000000000 ] - [ 0.0003588500000000, 0.0001690100000000, -0.0003869400000000 ] - [ -0.0340430000000000, 0.0330915800000000, -0.0093634200000000 ] - [ 0.0001565700000000, 0.0000320500000000, -0.0005429100000000 ] - [ 0.0028611900000000, -0.0051437200000000, 0.0004383900000000 ] - [ 0.0012607100000000, -0.0014068200000000, -0.0000489300000000 ] - [ 0.0020845100000000, -0.0003359900000000, -0.0000633200000000 ] - [ -0.0049349700000000, -0.0010284000000000, -0.0011027100000000 ] - [ -0.0073912200000000, -0.0037259600000000, -0.0019131700000000 ] - [ 0.0011012100000000, -0.0014919400000000, 0.0006968700000000 ] - [ 0.0011464800000000, -0.0026353200000000, 0.0015033900000000 ] - [ -0.0005561100000000, -0.0007676100000000, 0.0006894300000000 ] - [ -0.0036044800000000, -0.0010885200000000, -0.0006666300000000 ] - [ 0.0012068500000000, -0.0007406500000000, 0.0007659600000000 ] - [ 0.0106558000000000, 0.0394902700000000, 0.0383264600000000 ] - [ -0.0000099300000000, -0.0000031400000000, -0.0006037600000000 ] - [ -0.0003238000000000, -0.0044786000000000, -0.0012762300000000 ] - [ -0.0002545900000000, -0.0009331400000000, -0.0007490100000000 ] - [ -0.0029598000000000, 0.0060578300000000, -0.0071717200000000 ] - [ -0.0001555800000000, 0.0007691800000000, -0.0006712700000000 ] - [ 0.0007229500000000, -0.0025907800000000, 0.0008615500000000 ] - [ -0.0000392300000000, 0.0001007400000000, -0.0006696600000000 ] - [ 0.0008185900000000, 0.0019676200000000, 0.0014210000000000 ] - [ -0.0001698000000000, 0.0008423500000000, 0.0009069800000000 ] - [ -0.0002507300000000, -0.0011913200000000, 0.0020678400000000 ] - [ 0.0001737600000000, -0.0000020800000000, 0.0006064000000000 ] - [ 0.0055036200000000, 0.0084918500000000, 0.0075950200000000 ] - [ -0.0005779600000000, 0.0002596400000000, 0.0001177400000000 ] - [ -0.0059511000000000, 0.0089083500000000, -0.0052416500000000 ] - [ 0.0013923900000000, -0.0001104300000000, 0.0001773100000000 ] - [ -0.0010817700000000, -0.0038989300000000, 0.0001507800000000 ] - [ -0.0015355500000000, -0.0052798900000000, 0.0005144800000000 ] - [ -0.0001999600000000, 0.0025789700000000, -0.0001524300000000 ] - [ -0.0000912000000000, 0.0017515600000000, -0.0001211600000000 ] - [ -0.0000005700000000, -0.0019427500000000, -0.0008670600000000 ] - [ -0.0005692300000000, -0.0014743400000000, -0.0004443500000000 ] - [ -0.0003625900000000, 0.0016441300000000, 0.0001499700000000 ] - [ 0.0001320800000000, 0.0009460700000000, -0.0001619400000000 ] - [ 0.0024258300000000, 0.0018936200000000, -0.0075758900000000 ] - [ -0.0003305700000000, -0.0002470300000000, 0.0001056000000000 ] - [ -0.0007689700000000, 0.0024892100000000, 0.0019284600000000 ] - [ 0.0007286900000000, 0.0000336100000000, 0.0001952300000000 ] - [ -0.0060117800000000, -0.1795001500000000, -0.0126377400000000 ] - [ 0.0001788100000000, -0.0015230700000000, 0.0004941700000000 ] - [ -0.0009501600000000, 0.0173384500000000, -0.0013723800000000 ] - [ -0.0000115100000000, 0.0026646600000000, -0.0001733400000000 ] - [ -0.0105848400000000, 0.0130054800000000, 0.0080059600000000 ] - [ 0.0037404800000000, 0.0015650400000000, 0.0001760200000000 ] - [ 0.0239267800000000, 0.0130017800000000, -0.0032952300000000 ] - [ -0.0031695800000000, 0.0015518800000000, -0.0005307100000000 ] - [ -0.0050671800000000, 0.0002445700000000, -0.0050181500000000 ] - [ 0.0033584000000000, -0.0013099100000000, -0.0008129500000000 ] - [ 0.0016377800000000, 0.0021756800000000, 0.0015280500000000 ] - [ -0.0017766400000000, 0.0007500500000000, 0.0003007200000000 ] - [ 0.0001131000000000, -0.0208529900000000, 0.0031262700000000 ] - [ -0.0000278200000000, -0.0023899800000000, -0.0003940000000000 ] - [ -0.0005811500000000, 0.0074836200000000, 0.0000612700000000 ] - [ 0.0002533200000000, 0.0011561600000000, 0.0003724700000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004304900000000, -0.0056360700000000, -0.0047551500000000 ] - [ 0.0007869400000000, -0.0000695500000000, -0.0004515600000000 ] - [ -0.0012766900000000, 0.0041699500000000, 0.0016220000000000 ] - [ -0.0003478800000000, 0.0015552700000000, 0.0004553000000000 ] - [ 0.0007242400000000, 0.0031061600000000, -0.0007421300000000 ] - [ 0.0005126900000000, 0.0014694400000000, -0.0003050200000000 ] - [ -0.0011833100000000, -0.0010521700000000, 0.0000997200000000 ] - [ -0.0006014500000000, 0.0003786000000000, -0.0000202100000000 ] - [ 0.0020108200000000, -0.0081846400000000, -0.0010696500000000 ] - [ 0.0005577700000000, -0.0017849100000000, -0.0003715700000000 ] - [ -0.0023357700000000, 0.0038981500000000, 0.0025420100000000 ] - [ -0.0006961200000000, 0.0000891500000000, 0.0004166900000000 ] - [ 0.0108767300000000, -0.0146425700000000, 0.0092171400000000 ] - [ -0.0004547300000000, -0.0016587400000000, 0.0004714000000000 ] - [ 0.0001414500000000, 0.0056309900000000, -0.0013237200000000 ] - [ 0.0008951400000000, 0.0001643000000000, -0.0005077100000000 ] - [ -0.0394903300000000, -0.0642153300000000, 0.0081028700000000 ] - [ -0.0004260900000000, -0.0006897500000000, -0.0000127800000000 ] - [ 0.0022591500000000, 0.0074465100000000, 0.0000420200000000 ] - [ 0.0009659100000000, 0.0006227900000000, -0.0000434200000000 ] - [ 0.0020659400000000, -0.0038951800000000, -0.0006730800000000 ] - [ -0.0018947800000000, 0.0000591800000000, -0.0006575000000000 ] - [ -0.0030100500000000, 0.0040480900000000, 0.0005747900000000 ] - [ 0.0001951800000000, 0.0005279000000000, 0.0002196500000000 ] - [ -0.0015560100000000, -0.0021569100000000, -0.0002544400000000 ] - [ 0.0008549600000000, -0.0011161400000000, -0.0001398600000000 ] - [ 0.0009365400000000, 0.0020441400000000, -0.0002133200000000 ] - [ -0.0001680800000000, 0.0008964200000000, 0.0000956500000000 ] - [ -0.0009803900000000, 0.0028595000000000, 0.0007987000000000 ] - [ -0.0003107800000000, 0.0005575500000000, 0.0000552000000000 ] - [ 0.0017110700000000, -0.0027843000000000, -0.0023895500000000 ] - [ 0.0009082300000000, -0.0005353200000000, -0.0003270800000000 ] - [ -0.0028476700000000, 0.0016678400000000, -0.0002284900000000 ] - [ 0.0016157400000000, 0.0008312100000000, -0.0002028000000000 ] - [ 0.0001059100000000, 0.0002687800000000, 0.0004018300000000 ] - [ -0.0025886000000000, 0.0013249500000000, 0.0004963500000000 ] - [ -0.0016343200000000, -0.0028457600000000, -0.0009670500000000 ] - [ 0.0004749000000000, 0.0001902500000000, -0.0004529700000000 ] - [ 0.0018345500000000, 0.0024069300000000, 0.0000786800000000 ] - [ 0.0012827700000000, 0.0013186000000000, -0.0001024500000000 ] - [ 0.0346289500000000, -0.0343431200000000, 0.0086654800000000 ] - [ 0.0014806200000000, -0.0015151700000000, 0.0000522900000000 ] - [ -0.0012092100000000, 0.0036605800000000, -0.0009246900000000 ] - [ 0.0003873600000000, -0.0000821600000000, -0.0004372700000000 ] - [ -0.0037239200000000, -0.0011559400000000, 0.0005475400000000 ] - [ 0.0032879900000000, -0.0004718000000000, 0.0015906200000000 ] - [ 0.0057477300000000, 0.0022399300000000, 0.0024043100000000 ] - [ -0.0027407000000000, 0.0000074000000000, -0.0002081100000000 ] - [ -0.0009908600000000, 0.0017385200000000, -0.0001539900000000 ] - [ 0.0007188700000000, -0.0001219000000000, 0.0006594600000000 ] - [ 0.0037548000000000, 0.0002071400000000, 0.0020168300000000 ] - [ -0.0010520900000000, -0.0001365400000000, 0.0005766100000000 ] - [ -0.0110287200000000, -0.0405085200000000, -0.0408033500000000 ] - [ -0.0001520900000000, -0.0008841400000000, -0.0007439500000000 ] - [ 0.0001619100000000, 0.0035841100000000, -0.0000661600000000 ] - [ 0.0000931500000000, 0.0000503800000000, -0.0005961400000000 ] - [ 0.0027744400000000, -0.0051161100000000, 0.0058464500000000 ] - [ -0.0000054600000000, 0.0001169400000000, -0.0006749900000000 ] - [ -0.0008841000000000, 0.0034798100000000, -0.0022203100000000 ] - [ -0.0001222600000000, 0.0007853800000000, -0.0006770600000000 ] - [ -0.0006549100000000, -0.0010867700000000, -0.0000742700000000 ] - [ 0.0003269200000000, 0.0000347900000000, 0.0004350900000000 ] - [ 0.0004088500000000, 0.0020755400000000, -0.0007223200000000 ] - [ -0.0000133200000000, 0.0008847300000000, 0.0007367000000000 ] - [ -0.0051224200000000, -0.0083181900000000, -0.0073571500000000 ] - [ 0.0010142700000000, -0.0000489900000000, 0.0001885900000000 ] - [ 0.0063175500000000, -0.0086634500000000, 0.0054956800000000 ] - [ -0.0009541000000000, 0.0003190000000000, 0.0001288000000000 ] - [ 0.0006381800000000, 0.0041100900000000, -0.0004552500000000 ] - [ 0.0011233500000000, 0.0055015400000000, -0.0008211200000000 ] - [ -0.0002308300000000, -0.0023643800000000, -0.0001539400000000 ] - [ -0.0003539800000000, -0.0015386700000000, -0.0001858200000000 ] - [ -0.0004376600000000, 0.0017314300000000, 0.0005595600000000 ] - [ 0.0001387900000000, 0.0012627500000000, 0.0001385000000000 ] - [ -0.0000710000000000, -0.0018522800000000, -0.0004561200000000 ] - [ -0.0005727300000000, -0.0011541800000000, -0.0001445600000000 ] - [ -0.0020019400000000, -0.0020978700000000, 0.0079144700000000 ] - [ 0.0007657400000000, 0.0000348100000000, 0.0002008800000000 ] - [ 0.0011989400000000, -0.0027084500000000, -0.0016074300000000 ] - [ -0.0002912300000000, -0.0002470500000000, 0.0001117700000000 ] - [ 0.0089228400000000, 0.1823429700000000, 0.0143971400000000 ] - [ -0.0003061400000000, 0.0026801700000000, -0.0003072600000000 ] - [ 0.0008308900000000, -0.0161726100000000, 0.0015620200000000 ] - [ -0.0001177000000000, -0.0015091600000000, 0.0003590000000000 ] - [ 0.0107625000000000, -0.0118160500000000, -0.0082112300000000 ] - [ -0.0036062300000000, -0.0003988400000000, -0.0003625100000000 ] - [ -0.0237224000000000, -0.0118226000000000, 0.0030485000000000 ] - [ 0.0033088400000000, -0.0004129900000000, 0.0003453100000000 ] - [ 0.0051860800000000, -0.0013642500000000, 0.0048315700000000 ] - [ -0.0032204700000000, 0.0001661300000000, 0.0006245000000000 ] - [ -0.0015001400000000, -0.0033526200000000, -0.0016987300000000 ] - [ 0.0019114100000000, -0.0019165400000000, -0.0004862200000000 ] - [ -0.0002512700000000, 0.0196172600000000, -0.0028874500000000 ] - [ -0.0001014100000000, 0.0012341200000000, 0.0005798800000000 ] - [ 0.0004474700000000, -0.0086371100000000, 0.0001275000000000 ] - [ -0.0003822300000000, -0.0023123800000000, -0.0001861200000000 ]- atom: 81 displacement: [ -0.0000313680234493, 0.0000000000000000, 0.0099999508022342 ] forces: - [ -0.0030925600000000, -0.0014265600000000, -0.0100979600000000 ] - [ 0.0004851900000000, 0.0004344300000000, -0.0001881600000000 ] - [ -0.0002055800000000, 0.0003044100000000, -0.0003370600000000 ] - [ 0.0003277000000000, 0.0007085000000000, -0.0000104100000000 ] - [ 0.0003835400000000, 0.0021166100000000, -0.0015643900000000 ] - [ 0.0002132700000000, 0.0012488900000000, -0.0005068200000000 ] - [ 0.0003719800000000, 0.0013432300000000, -0.0023971000000000 ] - [ 0.0000612100000000, 0.0008596200000000, -0.0002258700000000 ] - [ -0.0092127200000000, 0.0065871300000000, 0.0114380600000000 ] - [ -0.0000279500000000, -0.0008611700000000, 0.0001814500000000 ] - [ -0.0010212100000000, 0.0008444600000000, 0.0016850200000000 ] - [ -0.0001084100000000, -0.0007495500000000, 0.0001281700000000 ] - [ 0.0043819200000000, -0.0158929900000000, 0.0287467400000000 ] - [ 0.0001459400000000, -0.0009507000000000, 0.0001133100000000 ] - [ 0.0002845200000000, -0.0023105400000000, 0.0009630400000000 ] - [ 0.0001472200000000, -0.0008052900000000, 0.0000416700000000 ] - [ -0.0014930800000000, -0.0026875800000000, 0.0166025300000000 ] - [ 0.0001867500000000, -0.0001401900000000, 0.0000753600000000 ] - [ -0.0002026000000000, -0.0005698300000000, 0.0009603900000000 ] - [ 0.0004951800000000, 0.0001025500000000, 0.0000308300000000 ] - [ 0.0010512200000000, -0.0007403200000000, -0.0001710400000000 ] - [ -0.0008797000000000, 0.0003714600000000, 0.0001297700000000 ] - [ 0.0002552400000000, -0.0005865900000000, -0.0001781700000000 ] - [ -0.0003640700000000, -0.0000995700000000, 0.0000801900000000 ] - [ -0.0012900600000000, -0.0001226400000000, 0.0001054100000000 ] - [ 0.0015321900000000, 0.0006554000000000, -0.0003610600000000 ] - [ -0.0005193100000000, -0.0002120600000000, 0.0001968500000000 ] - [ -0.0001033900000000, 0.0001251300000000, 0.0001265900000000 ] - [ 0.0004220000000000, -0.0013518500000000, -0.0018003000000000 ] - [ 0.0002498800000000, 0.0000697600000000, -0.0002088100000000 ] - [ 0.0009143000000000, -0.0008817700000000, -0.0043720400000000 ] - [ 0.0005837800000000, -0.0002056700000000, -0.0002684100000000 ] - [ -0.0028439700000000, 0.0016317200000000, -0.0005712300000000 ] - [ 0.0002921800000000, 0.0009956500000000, -0.0001809100000000 ] - [ -0.0010995800000000, 0.0007620900000000, -0.0000157900000000 ] - [ 0.0001705700000000, 0.0002101600000000, 0.0001764600000000 ] - [ 0.0003409600000000, 0.0006025100000000, -0.0050492700000000 ] - [ 0.0008597000000000, 0.0006208700000000, -0.0004070400000000 ] - [ 0.0007845500000000, 0.0006371200000000, -0.0005541000000000 ] - [ 0.0010865200000000, 0.0009105400000000, -0.0002915500000000 ] - [ 0.0223614300000000, -0.0115339300000000, 0.0211764200000000 ] - [ 0.0012603100000000, -0.0009784100000000, -0.0000138700000000 ] - [ -0.0000690900000000, 0.0001897700000000, 0.0002147500000000 ] - [ 0.0010326400000000, -0.0006862500000000, -0.0001265300000000 ] - [ -0.0001880500000000, -0.0004141400000000, 0.0007654200000000 ] - [ -0.0021694600000000, -0.0014773500000000, 0.0010346500000000 ] - [ 0.0025925400000000, 0.0006205000000000, 0.0017002500000000 ] - [ -0.0012627000000000, -0.0006483900000000, 0.0002801100000000 ] - [ 0.0002349600000000, -0.0004820400000000, 0.0024753600000000 ] - [ 0.0002188500000000, -0.0004920900000000, 0.0011057200000000 ] - [ 0.0009746600000000, -0.0012396900000000, 0.0038590600000000 ] - [ 0.0000856100000000, -0.0005273100000000, 0.0009883900000000 ] - [ 0.0208840000000000, 0.0421947000000000, 0.1010029500000000 ] - [ 0.0000117900000000, -0.0004473000000000, -0.0006517100000000 ] - [ -0.0003124200000000, 0.0007457000000000, -0.0001681900000000 ] - [ 0.0000800700000000, -0.0003100800000000, -0.0006571500000000 ] - [ -0.0044858400000000, 0.0037277500000000, -0.0160929900000000 ] - [ -0.0000129800000000, 0.0003866300000000, -0.0006840900000000 ] - [ -0.0004109200000000, 0.0020476800000000, -0.0019429800000000 ] - [ -0.0000612700000000, 0.0005629900000000, -0.0006969500000000 ] - [ -0.0006729700000000, -0.0000355200000000, -0.0016271100000000 ] - [ 0.0001676200000000, 0.0003804700000000, 0.0001015800000000 ] - [ -0.0000393100000000, 0.0006644200000000, -0.0012882200000000 ] - [ 0.0001417700000000, 0.0004001000000000, 0.0004619400000000 ] - [ 0.0043447100000000, 0.0064036300000000, -0.0035995800000000 ] - [ 0.0000248100000000, 0.0001107900000000, 0.0001507300000000 ] - [ 0.0040169300000000, -0.0042771400000000, 0.0003001200000000 ] - [ -0.0004414100000000, 0.0002027000000000, 0.0001184000000000 ] - [ -0.0005153500000000, 0.0005270200000000, -0.0016327000000000 ] - [ -0.0002659300000000, 0.0007241600000000, -0.0023087200000000 ] - [ -0.0004130800000000, -0.0004054500000000, -0.0006634100000000 ] - [ -0.0002467400000000, -0.0001093200000000, -0.0004049200000000 ] - [ -0.0001616400000000, 0.0003971200000000, 0.0009748900000000 ] - [ -0.0004935800000000, -0.0000113700000000, 0.0010808200000000 ] - [ -0.0002331900000000, -0.0005713100000000, 0.0003172900000000 ] - [ -0.0001949200000000, -0.0002397900000000, 0.0001462800000000 ] - [ -0.0022758400000000, -0.0042070300000000, 0.0058847200000000 ] - [ 0.0004821700000000, -0.0000741600000000, 0.0001797300000000 ] - [ -0.0007722800000000, 0.0021429500000000, 0.0008995100000000 ] - [ 0.0001053500000000, -0.0001094400000000, 0.0001527000000000 ] - [ -0.0257829700000000, -0.0117333000000000, -0.1913484000000000 ] - [ -0.0005221400000000, 0.0009772200000000, -0.0002251500000000 ] - [ 0.0024307200000000, -0.0008728200000000, -0.0025726000000000 ] - [ -0.0005050100000000, 0.0003131900000000, -0.0000941400000000 ] - [ -0.0049262400000000, 0.0038680600000000, -0.0008767000000000 ] - [ 0.0007948000000000, 0.0010102200000000, -0.0003648800000000 ] - [ -0.0140931000000000, -0.0075585100000000, -0.0009425800000000 ] - [ 0.0006241400000000, 0.0003167700000000, -0.0003625400000000 ] - [ 0.0078366600000000, -0.0055214900000000, 0.0025831300000000 ] - [ -0.0021211400000000, -0.0013057200000000, 0.0008226700000000 ] - [ 0.0021411500000000, 0.0010563800000000, 0.0009145600000000 ] - [ -0.0008945100000000, -0.0001766200000000, -0.0000711800000000 ] - [ -0.0000745300000000, -0.0035849400000000, 0.0437947200000000 ] - [ -0.0005536000000000, -0.0000911700000000, 0.0004977800000000 ] - [ -0.0006945000000000, -0.0005418400000000, 0.0030664200000000 ] - [ -0.0005442800000000, -0.0008543600000000, 0.0003418700000000 ]- atom: 81 displacement: [ 0.0000313680234493, 0.0000000000000000, -0.0099999508022342 ] forces: - [ 0.0032623400000000, 0.0031214800000000, 0.0101435100000000 ] - [ -0.0002419600000000, 0.0012102200000000, 0.0002770600000000 ] - [ 0.0004525400000000, 0.0013215500000000, 0.0004232500000000 ] - [ -0.0000815500000000, 0.0009340900000000, 0.0000975100000000 ] - [ -0.0006277900000000, -0.0004663800000000, 0.0014651100000000 ] - [ -0.0004620000000000, 0.0003911700000000, 0.0004215700000000 ] - [ -0.0006664300000000, 0.0002554700000000, 0.0023202300000000 ] - [ -0.0003060200000000, 0.0007825500000000, 0.0001387800000000 ] - [ 0.0091297500000000, -0.0083725200000000, -0.0115071900000000 ] - [ -0.0002242600000000, -0.0007812200000000, -0.0002680800000000 ] - [ 0.0007779100000000, -0.0024916200000000, -0.0017711200000000 ] - [ -0.0001399300000000, -0.0008909000000000, -0.0002134100000000 ] - [ -0.0038527500000000, 0.0152521600000000, -0.0293672000000000 ] - [ 0.0000980000000000, -0.0006932500000000, -0.0000265500000000 ] - [ -0.0000366600000000, 0.0006569500000000, -0.0008830200000000 ] - [ 0.0000947900000000, -0.0008423100000000, 0.0000473500000000 ] - [ 0.0018966600000000, 0.0024922600000000, -0.0167315700000000 ] - [ 0.0002608600000000, 0.0000183000000000, -0.0002395600000000 ] - [ 0.0006536500000000, 0.0004522300000000, -0.0011158100000000 ] - [ -0.0000488600000000, -0.0002240100000000, -0.0001954900000000 ] - [ -0.0015007900000000, 0.0006112900000000, 0.0003247200000000 ] - [ 0.0004259700000000, -0.0004853400000000, 0.0000233500000000 ] - [ -0.0006925700000000, 0.0004499100000000, 0.0003409800000000 ] - [ -0.0000872000000000, -0.0000204200000000, 0.0000826700000000 ] - [ 0.0008319800000000, 0.0002373500000000, 0.0000755400000000 ] - [ -0.0019866600000000, -0.0005379600000000, 0.0005420600000000 ] - [ 0.0000570600000000, 0.0003164200000000, -0.0000273200000000 ] - [ -0.0003478600000000, -0.0000114100000000, 0.0000427400000000 ] - [ 0.0000305600000000, 0.0014809700000000, 0.0016306400000000 ] - [ 0.0001989000000000, 0.0000503200000000, 0.0000414600000000 ] - [ -0.0004289000000000, 0.0009584900000000, 0.0041748900000000 ] - [ -0.0001353000000000, 0.0003260100000000, 0.0001017000000000 ] - [ 0.0011726000000000, -0.0001344800000000, 0.0010502400000000 ] - [ -0.0019449700000000, 0.0004935400000000, 0.0006737000000000 ] - [ -0.0005551700000000, 0.0007235900000000, 0.0005062100000000 ] - [ -0.0018011600000000, 0.0012722200000000, 0.0003184900000000 ] - [ 0.0013522100000000, 0.0009089200000000, 0.0045446500000000 ] - [ 0.0007794900000000, 0.0008667000000000, -0.0000837100000000 ] - [ 0.0008708700000000, 0.0008479800000000, 0.0000679000000000 ] - [ 0.0005534500000000, 0.0005768100000000, -0.0001997700000000 ] - [ -0.0205197500000000, 0.0099803400000000, -0.0214537600000000 ] - [ 0.0003788400000000, -0.0005051400000000, -0.0004764800000000 ] - [ 0.0017242700000000, -0.0016923200000000, -0.0007029300000000 ] - [ 0.0006170800000000, -0.0008033200000000, -0.0003587400000000 ] - [ -0.0014339800000000, -0.0010786000000000, -0.0002865100000000 ] - [ 0.0005064000000000, -0.0000199000000000, -0.0005635100000000 ] - [ -0.0042248400000000, -0.0021034400000000, -0.0012065800000000 ] - [ -0.0003871200000000, -0.0008386400000000, 0.0002019900000000 ] - [ -0.0000688700000000, -0.0004229400000000, -0.0011132300000000 ] - [ -0.0000613400000000, -0.0003962900000000, 0.0002418600000000 ] - [ -0.0008079300000000, 0.0003724100000000, -0.0025083800000000 ] - [ 0.0000652900000000, -0.0003490100000000, 0.0003526700000000 ] - [ -0.0223770700000000, -0.0463068900000000, -0.1085367700000000 ] - [ -0.0001733500000000, -0.0004388700000000, -0.0006960600000000 ] - [ 0.0001508600000000, -0.0016367400000000, -0.0011895900000000 ] - [ -0.0002409200000000, -0.0005727600000000, -0.0006882300000000 ] - [ 0.0042784700000000, -0.0028039900000000, 0.0146658100000000 ] - [ -0.0001482800000000, 0.0004995100000000, -0.0006612400000000 ] - [ 0.0002563400000000, -0.0011623800000000, 0.0006085100000000 ] - [ -0.0001011300000000, 0.0003234900000000, -0.0006494500000000 ] - [ 0.0008162700000000, 0.0009390600000000, 0.0029687000000000 ] - [ -0.0000058600000000, 0.0005022600000000, 0.0012432100000000 ] - [ 0.0001950300000000, 0.0002135400000000, 0.0026203100000000 ] - [ 0.0000195600000000, 0.0004805500000000, 0.0008801400000000 ] - [ -0.0039185500000000, -0.0062072200000000, 0.0039533500000000 ] - [ 0.0004107700000000, 0.0001000900000000, 0.0001572900000000 ] - [ -0.0035993800000000, 0.0044902800000000, 0.0000564300000000 ] - [ 0.0008784400000000, 0.0000068000000000, 0.0001894700000000 ] - [ 0.0000554100000000, -0.0003230200000000, 0.0013190200000000 ] - [ -0.0001249600000000, -0.0005101800000000, 0.0020100900000000 ] - [ -0.0000250300000000, 0.0006210400000000, 0.0003506200000000 ] - [ -0.0001873800000000, 0.0003250400000000, 0.0000980900000000 ] - [ -0.0002594300000000, -0.0006072800000000, -0.0012769100000000 ] - [ 0.0000315200000000, -0.0001980300000000, -0.0013874900000000 ] - [ -0.0002014100000000, 0.0003613700000000, -0.0006178400000000 ] - [ -0.0002449900000000, 0.0000329200000000, -0.0004527500000000 ] - [ 0.0026730700000000, 0.0039467800000000, -0.0056137600000000 ] - [ -0.0000398800000000, -0.0001380900000000, 0.0001268900000000 ] - [ 0.0011833100000000, -0.0023166900000000, -0.0006072100000000 ] - [ 0.0003363900000000, -0.0001030300000000, 0.0001547900000000 ] - [ 0.0264670700000000, 0.0153432900000000, 0.1979942600000000 ] - [ 0.0003960700000000, 0.0001775600000000, 0.0004101300000000 ] - [ -0.0025779700000000, 0.0020550900000000, 0.0027539200000000 ] - [ 0.0003761200000000, 0.0008446000000000, 0.0002772000000000 ] - [ 0.0050227800000000, -0.0026258100000000, 0.0007862500000000 ] - [ -0.0006457300000000, 0.0001541300000000, 0.0001850200000000 ] - [ 0.0142270000000000, 0.0087274800000000, 0.0007782800000000 ] - [ -0.0004816400000000, 0.0008326100000000, 0.0001884900000000 ] - [ -0.0075909600000000, 0.0042963800000000, -0.0028176600000000 ] - [ 0.0022649800000000, 0.0001526000000000, -0.0010210100000000 ] - [ -0.0019652500000000, -0.0021601900000000, -0.0011272000000000 ] - [ 0.0010186300000000, -0.0009742900000000, -0.0001217000000000 ] - [ -0.0000663100000000, 0.0024289500000000, -0.0433490500000000 ] - [ 0.0004263300000000, -0.0010644100000000, -0.0003104900000000 ] - [ 0.0005542400000000, -0.0006070700000000, -0.0028720400000000 ] - [ 0.0004180400000000, -0.0002987700000000, -0.0001527200000000 ]