# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4cdaf3f9-d0b9-4e14-8a8c-7bfdb5287973/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 Zn4As2O9 / P2_1/c (14) / materials id 555797](https://mdr.nims.go.jp/datasets/ee58c1e0-108e-4eb7-a5ab-f690bda11b7b) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 9.714783710000001, 0.000000000000000, 0.003150920000000 ] # a - [ 0.000000000000000, 8.165565650000000, 0.000000000000000 ] # b - [ -9.230345040000000, 0.000000000000000, 18.012710110000000 ] # c points: - symbol: Zn # 1 coordinates: [ 0.249540610000000, 0.556684930000000, 0.880165160000000 ] mass: 65.380000 - symbol: Zn # 2 coordinates: [ 0.754493780000000, 0.444157940000000, 0.618227050000000 ] mass: 65.380000 - symbol: Zn # 3 coordinates: [ 0.569523100000000, 0.427926110000000, 0.868130140000000 ] mass: 65.380000 - symbol: Zn # 4 coordinates: [ 0.944658620000000, 0.413042720000000, 0.891948490000000 ] mass: 65.380000 - symbol: Zn # 5 coordinates: [ 0.754493780000000, 0.055842060000000, 0.118227050000000 ] mass: 65.380000 - symbol: Zn # 6 coordinates: [ 0.220765620000000, 0.230403090000000, 0.555882510000000 ] mass: 65.380000 - symbol: Zn # 7 coordinates: [ 0.430476900000000, 0.927926110000000, 0.631869860000000 ] mass: 65.380000 - symbol: Zn # 8 coordinates: [ 0.750459390000000, 0.056684930000000, 0.619834840000000 ] mass: 65.380000 - symbol: Zn # 9 coordinates: [ 0.305545370000000, 0.322791940000000, 0.210297450000000 ] mass: 65.380000 - symbol: Zn # 10 coordinates: [ 0.574426370000000, 0.461620300000000, 0.366505060000000 ] mass: 65.380000 - symbol: Zn # 11 coordinates: [ 0.220765620000000, 0.269596910000000, 0.055882510000000 ] mass: 65.380000 - symbol: Zn # 12 coordinates: [ 0.055341380000000, 0.586957280000000, 0.108051510000000 ] mass: 65.380000 - symbol: Zn # 13 coordinates: [ 0.245506220000000, 0.555842060000000, 0.381772950000000 ] mass: 65.380000 - symbol: Zn # 14 coordinates: [ 0.305545370000000, 0.177208060000000, 0.710297450000000 ] mass: 65.380000 - symbol: Zn # 15 coordinates: [ 0.894170370000000, 0.982705350000000, 0.846890110000000 ] mass: 65.380000 - symbol: Zn # 16 coordinates: [ 0.055341380000000, 0.913042720000000, 0.608051510000000 ] mass: 65.380000 - symbol: Zn # 17 coordinates: [ 0.750459390000000, 0.443315070000000, 0.119834840000000 ] mass: 65.380000 - symbol: Zn # 18 coordinates: [ 0.105829630000000, 0.017294650000000, 0.153109890000000 ] mass: 65.380000 - symbol: Zn # 19 coordinates: [ 0.249540610000000, 0.943315070000000, 0.380165160000000 ] mass: 65.380000 - symbol: Zn # 20 coordinates: [ 0.425573630000000, 0.961620300000000, 0.133494940000000 ] mass: 65.380000 - symbol: Zn # 21 coordinates: [ 0.779234380000000, 0.730403090000000, 0.944117490000000 ] mass: 65.380000 - symbol: Zn # 22 coordinates: [ 0.694454630000000, 0.677208060000000, 0.789702550000000 ] mass: 65.380000 - symbol: Zn # 23 coordinates: [ 0.245506220000000, 0.944157940000000, 0.881772950000000 ] mass: 65.380000 - symbol: Zn # 24 coordinates: [ 0.574426370000000, 0.038379700000000, 0.866505060000000 ] mass: 65.380000 - symbol: Zn # 25 coordinates: [ 0.430476900000000, 0.572073890000000, 0.131869860000000 ] mass: 65.380000 - symbol: Zn # 26 coordinates: [ 0.779234380000000, 0.769596910000000, 0.444117490000000 ] mass: 65.380000 - symbol: Zn # 27 coordinates: [ 0.425573630000000, 0.538379700000000, 0.633494940000000 ] mass: 65.380000 - symbol: Zn # 28 coordinates: [ 0.105829630000000, 0.482705350000000, 0.653109890000000 ] mass: 65.380000 - symbol: Zn # 29 coordinates: [ 0.569523100000000, 0.072073890000000, 0.368130140000000 ] mass: 65.380000 - symbol: Zn # 30 coordinates: [ 0.894170370000000, 0.517294650000000, 0.346890110000000 ] mass: 65.380000 - symbol: Zn # 31 coordinates: [ 0.944658620000000, 0.086957280000000, 0.391948490000000 ] mass: 65.380000 - symbol: Zn # 32 coordinates: [ 0.694454630000000, 0.822791940000000, 0.289702550000000 ] mass: 65.380000 - symbol: As # 33 coordinates: [ 0.970446480000000, 0.755432360000000, 0.733366150000000 ] mass: 74.921600 - symbol: As # 34 coordinates: [ 0.544477560000000, 0.760006180000000, 0.026048200000000 ] mass: 74.921600 - symbol: As # 35 coordinates: [ 0.135572910000000, 0.748016600000000, 0.989001920000000 ] mass: 74.921600 - symbol: As # 36 coordinates: [ 0.135572910000000, 0.751983400000000, 0.489001920000000 ] mass: 74.921600 - symbol: As # 37 coordinates: [ 0.357103260000000, 0.754723650000000, 0.751267880000000 ] mass: 74.921600 - symbol: As # 38 coordinates: [ 0.455522440000000, 0.260006180000000, 0.473951800000000 ] mass: 74.921600 - symbol: As # 39 coordinates: [ 0.029553520000000, 0.244567640000000, 0.266633850000000 ] mass: 74.921600 - symbol: As # 40 coordinates: [ 0.029553520000000, 0.255432360000000, 0.766633850000000 ] mass: 74.921600 - symbol: As # 41 coordinates: [ 0.642896740000000, 0.245276350000000, 0.248732120000000 ] mass: 74.921600 - symbol: As # 42 coordinates: [ 0.642896740000000, 0.254723650000000, 0.748732120000000 ] mass: 74.921600 - symbol: As # 43 coordinates: [ 0.357103260000000, 0.745276350000000, 0.251267880000000 ] mass: 74.921600 - symbol: As # 44 coordinates: [ 0.544477560000000, 0.739993820000000, 0.526048200000000 ] mass: 74.921600 - symbol: As # 45 coordinates: [ 0.455522440000000, 0.239993820000000, 0.973951800000000 ] mass: 74.921600 - symbol: As # 46 coordinates: [ 0.864427090000000, 0.251983400000000, 0.010998080000000 ] mass: 74.921600 - symbol: As # 47 coordinates: [ 0.970446480000000, 0.744567640000000, 0.233366150000000 ] mass: 74.921600 - symbol: As # 48 coordinates: [ 0.864427090000000, 0.248016600000000, 0.510998080000000 ] mass: 74.921600 - symbol: O # 49 coordinates: [ 0.097053680000000, 0.911627590000000, 0.931307270000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.559470620000000, 0.927392440000000, 0.080854570000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.693634350000000, 0.269989940000000, 0.434553710000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.514457540000000, 0.255579420000000, 0.288403780000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.306365650000000, 0.730010060000000, 0.565446290000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.723141820000000, 0.612472300000000, 0.362901970000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.131659500000000, 0.568489460000000, 0.945863230000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.850205040000000, 0.250655560000000, 0.191947250000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.055788720000000, 0.410042620000000, 0.827784630000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.559470620000000, 0.572607560000000, 0.580854570000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.514457540000000, 0.244420580000000, 0.788403780000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.001574260000000, 0.263382430000000, 0.980199070000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.693634350000000, 0.230010060000000, 0.934553710000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.634469750000000, 0.450055490000000, 0.718215160000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.585836480000000, 0.391686580000000, 0.183968340000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.563680200000000, 0.910830330000000, 0.579428790000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.298537580000000, 0.274202200000000, 0.487022060000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.183339490000000, 0.784644770000000, 0.177298380000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.758584010000000, 0.959310820000000, 0.378188200000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.850205040000000, 0.249344440000000, 0.691947250000000 ] mass: 15.999400 - symbol: O # 69 coordinates: [ 0.622574470000000, 0.247358730000000, 0.054198590000000 ] mass: 15.999400 - symbol: O # 70 coordinates: [ 0.306365650000000, 0.769989940000000, 0.065446290000000 ] mass: 15.999400 - symbol: O # 71 coordinates: [ 0.998425740000000, 0.736617570000000, 0.019800930000000 ] mass: 15.999400 - symbol: O # 72 coordinates: [ 0.414163520000000, 0.891686580000000, 0.316031660000000 ] mass: 15.999400 - symbol: O # 73 coordinates: [ 0.701462420000000, 0.774202200000000, 0.012977940000000 ] mass: 15.999400 - symbol: O # 74 coordinates: [ 0.241415990000000, 0.459310820000000, 0.121811800000000 ] mass: 15.999400 - symbol: O # 75 coordinates: [ 0.158357320000000, 0.296798380000000, 0.732986350000000 ] mass: 15.999400 - symbol: O # 76 coordinates: [ 0.723141820000000, 0.887527700000000, 0.862901970000000 ] mass: 15.999400 - symbol: O # 77 coordinates: [ 0.063359760000000, 0.425330250000000, 0.312242670000000 ] mass: 15.999400 - symbol: O # 78 coordinates: [ 0.841642680000000, 0.796798380000000, 0.767013650000000 ] mass: 15.999400 - symbol: O # 79 coordinates: [ 0.944211280000000, 0.910042620000000, 0.672215370000000 ] mass: 15.999400 - symbol: O # 80 coordinates: [ 0.902946320000000, 0.088372410000000, 0.068692730000000 ] mass: 15.999400 - symbol: O # 81 coordinates: [ 0.298537580000000, 0.225797800000000, 0.987022060000000 ] mass: 15.999400 - symbol: O # 82 coordinates: [ 0.816660510000000, 0.284644770000000, 0.322701620000000 ] mass: 15.999400 - symbol: O # 83 coordinates: [ 0.276858180000000, 0.387527700000000, 0.637098030000000 ] mass: 15.999400 - symbol: O # 84 coordinates: [ 0.063359760000000, 0.074669750000000, 0.812242670000000 ] mass: 15.999400 - symbol: O # 85 coordinates: [ 0.634469750000000, 0.049944510000000, 0.218215160000000 ] mass: 15.999400 - symbol: O # 86 coordinates: [ 0.758584010000000, 0.540689180000000, 0.878188200000000 ] mass: 15.999400 - symbol: O # 87 coordinates: [ 0.841642680000000, 0.703201620000000, 0.267013650000000 ] mass: 15.999400 - symbol: O # 88 coordinates: [ 0.902946320000000, 0.411627590000000, 0.568692730000000 ] mass: 15.999400 - symbol: O # 89 coordinates: [ 0.097053680000000, 0.588372410000000, 0.431307270000000 ] mass: 15.999400 - symbol: O # 90 coordinates: [ 0.585836480000000, 0.108313420000000, 0.683968340000000 ] mass: 15.999400 - symbol: O # 91 coordinates: [ 0.944211280000000, 0.589957380000000, 0.172215370000000 ] mass: 15.999400 - symbol: O # 92 coordinates: [ 0.436319800000000, 0.089169670000000, 0.420571210000000 ] mass: 15.999400 - symbol: O # 93 coordinates: [ 0.485542460000000, 0.755579420000000, 0.211596220000000 ] mass: 15.999400 - symbol: O # 94 coordinates: [ 0.276858180000000, 0.112472300000000, 0.137098030000000 ] mass: 15.999400 - symbol: O # 95 coordinates: [ 0.485542460000000, 0.744420580000000, 0.711596220000000 ] mass: 15.999400 - symbol: O # 96 coordinates: [ 0.622574470000000, 0.252641270000000, 0.554198590000000 ] mass: 15.999400 - symbol: O # 97 coordinates: [ 0.414163520000000, 0.608313420000000, 0.816031660000000 ] mass: 15.999400 - symbol: O # 98 coordinates: [ 0.131659500000000, 0.931510540000000, 0.445863230000000 ] mass: 15.999400 - symbol: O # 99 coordinates: [ 0.183339490000000, 0.715355230000000, 0.677298380000000 ] mass: 15.999400 - symbol: O # 100 coordinates: [ 0.158357320000000, 0.203201620000000, 0.232986350000000 ] mass: 15.999400 - symbol: O # 101 coordinates: [ 0.377425530000000, 0.747358730000000, 0.445801410000000 ] mass: 15.999400 - symbol: O # 102 coordinates: [ 0.365530250000000, 0.950055490000000, 0.781784840000000 ] mass: 15.999400 - symbol: O # 103 coordinates: [ 0.936640240000000, 0.574669750000000, 0.687757330000000 ] mass: 15.999400 - symbol: O # 104 coordinates: [ 0.816660510000000, 0.215355230000000, 0.822701620000000 ] mass: 15.999400 - symbol: O # 105 coordinates: [ 0.868340500000000, 0.431510540000000, 0.054136770000000 ] mass: 15.999400 - symbol: O # 106 coordinates: [ 0.436319800000000, 0.410830330000000, 0.920571210000000 ] mass: 15.999400 - symbol: O # 107 coordinates: [ 0.241415990000000, 0.040689180000000, 0.621811800000000 ] mass: 15.999400 - symbol: O # 108 coordinates: [ 0.936640240000000, 0.925330250000000, 0.187757330000000 ] mass: 15.999400 - symbol: O # 109 coordinates: [ 0.055788720000000, 0.089957380000000, 0.327784630000000 ] mass: 15.999400 - symbol: O # 110 coordinates: [ 0.868340500000000, 0.068489460000000, 0.554136770000000 ] mass: 15.999400 - symbol: O # 111 coordinates: [ 0.377425530000000, 0.752641270000000, 0.945801410000000 ] mass: 15.999400 - symbol: O # 112 coordinates: [ 0.563680200000000, 0.589169670000000, 0.079428790000000 ] mass: 15.999400 - symbol: O # 113 coordinates: [ 0.149794960000000, 0.749344440000000, 0.808052750000000 ] mass: 15.999400 - symbol: O # 114 coordinates: [ 0.001574260000000, 0.236617570000000, 0.480199070000000 ] mass: 15.999400 - symbol: O # 115 coordinates: [ 0.365530250000000, 0.549944510000000, 0.281784840000000 ] mass: 15.999400 - symbol: O # 116 coordinates: [ 0.149794960000000, 0.750655560000000, 0.308052750000000 ] mass: 15.999400 - symbol: O # 117 coordinates: [ 0.440529380000000, 0.072607560000000, 0.919145430000000 ] mass: 15.999400 - symbol: O # 118 coordinates: [ 0.440529380000000, 0.427392440000000, 0.419145430000000 ] mass: 15.999400 - symbol: O # 119 coordinates: [ 0.701462420000000, 0.725797800000000, 0.512977940000000 ] mass: 15.999400 - symbol: O # 120 coordinates: [ 0.998425740000000, 0.763382430000000, 0.519800930000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.102918793957353, 0.000000000000000, 0.052739203236255 ] # a* - [ 0.000000000000000, 0.122465490189280, 0.000000000000000 ] # b* - [ -0.000018003336770, 0.000000000000000, 0.055507128959715 ] # c*unit_cell: lattice: - [ 9.714783710000001, 0.000000000000000, 0.003150920000000 ] # a - [ 0.000000000000000, 8.165565650000000, 0.000000000000000 ] # b - [ -9.230345040000000, 0.000000000000000, 18.012710110000000 ] # c points: - symbol: Zn # 1 coordinates: [ 0.249540610000000, 0.556684930000000, 0.880165160000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 2 coordinates: [ 0.754493780000000, 0.444157940000000, 0.618227050000000 ] mass: 65.380000 reduced_to: 2 - symbol: Zn # 3 coordinates: [ 0.569523100000000, 0.427926110000000, 0.868130140000000 ] mass: 65.380000 reduced_to: 3 - symbol: Zn # 4 coordinates: [ 0.944658620000000, 0.413042720000000, 0.891948490000000 ] mass: 65.380000 reduced_to: 4 - symbol: Zn # 5 coordinates: [ 0.754493780000000, 0.055842060000000, 0.118227050000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 6 coordinates: [ 0.220765620000000, 0.230403090000000, 0.555882510000000 ] mass: 65.380000 reduced_to: 6 - symbol: Zn # 7 coordinates: [ 0.430476900000000, 0.927926110000000, 0.631869860000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 8 coordinates: [ 0.750459390000000, 0.056684930000000, 0.619834840000000 ] mass: 65.380000 reduced_to: 8 - symbol: Zn # 9 coordinates: [ 0.305545370000000, 0.322791940000000, 0.210297450000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 10 coordinates: [ 0.574426370000000, 0.461620300000000, 0.366505060000000 ] mass: 65.380000 reduced_to: 10 - symbol: Zn # 11 coordinates: [ 0.220765620000000, 0.269596910000000, 0.055882510000000 ] mass: 65.380000 reduced_to: 11 - symbol: Zn # 12 coordinates: [ 0.055341380000000, 0.586957280000000, 0.108051510000000 ] mass: 65.380000 reduced_to: 12 - symbol: Zn # 13 coordinates: [ 0.245506220000000, 0.555842060000000, 0.381772950000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 14 coordinates: [ 0.305545370000000, 0.177208060000000, 0.710297450000000 ] mass: 65.380000 reduced_to: 14 - symbol: Zn # 15 coordinates: [ 0.894170370000000, 0.982705350000000, 0.846890110000000 ] mass: 65.380000 reduced_to: 15 - symbol: Zn # 16 coordinates: [ 0.055341380000000, 0.913042720000000, 0.608051510000000 ] mass: 65.380000 reduced_to: 16 - symbol: Zn # 17 coordinates: [ 0.750459390000000, 0.443315070000000, 0.119834840000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 18 coordinates: [ 0.105829630000000, 0.017294650000000, 0.153109890000000 ] mass: 65.380000 reduced_to: 18 - symbol: Zn # 19 coordinates: [ 0.249540610000000, 0.943315070000000, 0.380165160000000 ] mass: 65.380000 reduced_to: 19 - symbol: Zn # 20 coordinates: [ 0.425573630000000, 0.961620300000000, 0.133494940000000 ] mass: 65.380000 reduced_to: 20 - symbol: Zn # 21 coordinates: [ 0.779234380000000, 0.730403090000000, 0.944117490000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 22 coordinates: [ 0.694454630000000, 0.677208060000000, 0.789702550000000 ] mass: 65.380000 reduced_to: 22 - symbol: Zn # 23 coordinates: [ 0.245506220000000, 0.944157940000000, 0.881772950000000 ] mass: 65.380000 reduced_to: 23 - symbol: Zn # 24 coordinates: [ 0.574426370000000, 0.038379700000000, 0.866505060000000 ] mass: 65.380000 reduced_to: 24 - symbol: Zn # 25 coordinates: [ 0.430476900000000, 0.572073890000000, 0.131869860000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 26 coordinates: [ 0.779234380000000, 0.769596910000000, 0.444117490000000 ] mass: 65.380000 reduced_to: 26 - symbol: Zn # 27 coordinates: [ 0.425573630000000, 0.538379700000000, 0.633494940000000 ] mass: 65.380000 reduced_to: 27 - symbol: Zn # 28 coordinates: [ 0.105829630000000, 0.482705350000000, 0.653109890000000 ] mass: 65.380000 reduced_to: 28 - symbol: Zn # 29 coordinates: [ 0.569523100000000, 0.072073890000000, 0.368130140000000 ] mass: 65.380000 reduced_to: 29 - symbol: Zn # 30 coordinates: [ 0.894170370000000, 0.517294650000000, 0.346890110000000 ] mass: 65.380000 reduced_to: 30 - symbol: Zn # 31 coordinates: [ 0.944658620000000, 0.086957280000000, 0.391948490000000 ] mass: 65.380000 reduced_to: 31 - symbol: Zn # 32 coordinates: [ 0.694454630000000, 0.822791940000000, 0.289702550000000 ] mass: 65.380000 reduced_to: 32 - symbol: As # 33 coordinates: [ 0.970446480000000, 0.755432360000000, 0.733366150000000 ] mass: 74.921600 reduced_to: 33 - symbol: As # 34 coordinates: [ 0.544477560000000, 0.760006180000000, 0.026048200000000 ] mass: 74.921600 reduced_to: 34 - symbol: As # 35 coordinates: [ 0.135572910000000, 0.748016600000000, 0.989001920000000 ] mass: 74.921600 reduced_to: 35 - symbol: As # 36 coordinates: [ 0.135572910000000, 0.751983400000000, 0.489001920000000 ] mass: 74.921600 reduced_to: 36 - symbol: As # 37 coordinates: [ 0.357103260000000, 0.754723650000000, 0.751267880000000 ] mass: 74.921600 reduced_to: 37 - symbol: As # 38 coordinates: [ 0.455522440000000, 0.260006180000000, 0.473951800000000 ] mass: 74.921600 reduced_to: 38 - symbol: As # 39 coordinates: [ 0.029553520000000, 0.244567640000000, 0.266633850000000 ] mass: 74.921600 reduced_to: 39 - symbol: As # 40 coordinates: [ 0.029553520000000, 0.255432360000000, 0.766633850000000 ] mass: 74.921600 reduced_to: 40 - symbol: As # 41 coordinates: [ 0.642896740000000, 0.245276350000000, 0.248732120000000 ] mass: 74.921600 reduced_to: 41 - symbol: As # 42 coordinates: [ 0.642896740000000, 0.254723650000000, 0.748732120000000 ] mass: 74.921600 reduced_to: 42 - symbol: As # 43 coordinates: [ 0.357103260000000, 0.745276350000000, 0.251267880000000 ] mass: 74.921600 reduced_to: 43 - symbol: As # 44 coordinates: [ 0.544477560000000, 0.739993820000000, 0.526048200000000 ] mass: 74.921600 reduced_to: 44 - symbol: As # 45 coordinates: [ 0.455522440000000, 0.239993820000000, 0.973951800000000 ] mass: 74.921600 reduced_to: 45 - symbol: As # 46 coordinates: [ 0.864427090000000, 0.251983400000000, 0.010998080000000 ] mass: 74.921600 reduced_to: 46 - symbol: As # 47 coordinates: [ 0.970446480000000, 0.744567640000000, 0.233366150000000 ] mass: 74.921600 reduced_to: 47 - symbol: As # 48 coordinates: [ 0.864427090000000, 0.248016600000000, 0.510998080000000 ] mass: 74.921600 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.097053680000000, 0.911627590000000, 0.931307270000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.559470620000000, 0.927392440000000, 0.080854570000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.693634350000000, 0.269989940000000, 0.434553710000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.514457540000000, 0.255579420000000, 0.288403780000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.306365650000000, 0.730010060000000, 0.565446290000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.723141820000000, 0.612472300000000, 0.362901970000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.131659500000000, 0.568489460000000, 0.945863230000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.850205040000000, 0.250655560000000, 0.191947250000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.055788720000000, 0.410042620000000, 0.827784630000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.559470620000000, 0.572607560000000, 0.580854570000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.514457540000000, 0.244420580000000, 0.788403780000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.001574260000000, 0.263382430000000, 0.980199070000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.693634350000000, 0.230010060000000, 0.934553710000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.634469750000000, 0.450055490000000, 0.718215160000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.585836480000000, 0.391686580000000, 0.183968340000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.563680200000000, 0.910830330000000, 0.579428790000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.298537580000000, 0.274202200000000, 0.487022060000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.183339490000000, 0.784644770000000, 0.177298380000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.758584010000000, 0.959310820000000, 0.378188200000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.850205040000000, 0.249344440000000, 0.691947250000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.622574470000000, 0.247358730000000, 0.054198590000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.306365650000000, 0.769989940000000, 0.065446290000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.998425740000000, 0.736617570000000, 0.019800930000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.414163520000000, 0.891686580000000, 0.316031660000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.701462420000000, 0.774202200000000, 0.012977940000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.241415990000000, 0.459310820000000, 0.121811800000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.158357320000000, 0.296798380000000, 0.732986350000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.723141820000000, 0.887527700000000, 0.862901970000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.063359760000000, 0.425330250000000, 0.312242670000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.841642680000000, 0.796798380000000, 0.767013650000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.944211280000000, 0.910042620000000, 0.672215370000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.902946320000000, 0.088372410000000, 0.068692730000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.298537580000000, 0.225797800000000, 0.987022060000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.816660510000000, 0.284644770000000, 0.322701620000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.276858180000000, 0.387527700000000, 0.637098030000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.063359760000000, 0.074669750000000, 0.812242670000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.634469750000000, 0.049944510000000, 0.218215160000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.758584010000000, 0.540689180000000, 0.878188200000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.841642680000000, 0.703201620000000, 0.267013650000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.902946320000000, 0.411627590000000, 0.568692730000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.097053680000000, 0.588372410000000, 0.431307270000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.585836480000000, 0.108313420000000, 0.683968340000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.944211280000000, 0.589957380000000, 0.172215370000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.436319800000000, 0.089169670000000, 0.420571210000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.485542460000000, 0.755579420000000, 0.211596220000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.276858180000000, 0.112472300000000, 0.137098030000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.485542460000000, 0.744420580000000, 0.711596220000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.622574470000000, 0.252641270000000, 0.554198590000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.414163520000000, 0.608313420000000, 0.816031660000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.131659500000000, 0.931510540000000, 0.445863230000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.183339490000000, 0.715355230000000, 0.677298380000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.158357320000000, 0.203201620000000, 0.232986350000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.377425530000000, 0.747358730000000, 0.445801410000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.365530250000000, 0.950055490000000, 0.781784840000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.936640240000000, 0.574669750000000, 0.687757330000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.816660510000000, 0.215355230000000, 0.822701620000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.868340500000000, 0.431510540000000, 0.054136770000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.436319800000000, 0.410830330000000, 0.920571210000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.241415990000000, 0.040689180000000, 0.621811800000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.936640240000000, 0.925330250000000, 0.187757330000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.055788720000000, 0.089957380000000, 0.327784630000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.868340500000000, 0.068489460000000, 0.554136770000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.377425530000000, 0.752641270000000, 0.945801410000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.563680200000000, 0.589169670000000, 0.079428790000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.149794960000000, 0.749344440000000, 0.808052750000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.001574260000000, 0.236617570000000, 0.480199070000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.365530250000000, 0.549944510000000, 0.281784840000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.149794960000000, 0.750655560000000, 0.308052750000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.440529380000000, 0.072607560000000, 0.919145430000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.440529380000000, 0.427392440000000, 0.419145430000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.701462420000000, 0.725797800000000, 0.512977940000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.998425740000000, 0.763382430000000, 0.519800930000000 ] mass: 15.999400 reduced_to: 120supercell: lattice: - [ 9.714783710000001, 0.000000000000000, 0.003150920000000 ] # a - [ 0.000000000000000, 8.165565650000000, 0.000000000000000 ] # b - [ -9.230345040000000, 0.000000000000000, 18.012710110000000 ] # c points: - symbol: Zn # 1 coordinates: [ 0.249540610000000, 0.556684930000000, 0.880165160000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 2 coordinates: [ 0.754493780000000, 0.444157940000000, 0.618227050000000 ] mass: 65.380000 reduced_to: 2 - symbol: Zn # 3 coordinates: [ 0.569523100000000, 0.427926110000000, 0.868130140000000 ] mass: 65.380000 reduced_to: 3 - symbol: Zn # 4 coordinates: [ 0.944658620000000, 0.413042720000000, 0.891948490000000 ] mass: 65.380000 reduced_to: 4 - symbol: Zn # 5 coordinates: [ 0.754493780000000, 0.055842060000000, 0.118227050000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 6 coordinates: [ 0.220765620000000, 0.230403090000000, 0.555882510000000 ] mass: 65.380000 reduced_to: 6 - symbol: Zn # 7 coordinates: [ 0.430476900000000, 0.927926110000000, 0.631869860000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 8 coordinates: [ 0.750459390000000, 0.056684930000000, 0.619834840000000 ] mass: 65.380000 reduced_to: 8 - symbol: Zn # 9 coordinates: [ 0.305545370000000, 0.322791940000000, 0.210297450000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 10 coordinates: [ 0.574426370000000, 0.461620300000000, 0.366505060000000 ] mass: 65.380000 reduced_to: 10 - symbol: Zn # 11 coordinates: [ 0.220765620000000, 0.269596910000000, 0.055882510000000 ] mass: 65.380000 reduced_to: 11 - symbol: Zn # 12 coordinates: [ 0.055341380000000, 0.586957280000000, 0.108051510000000 ] mass: 65.380000 reduced_to: 12 - symbol: Zn # 13 coordinates: [ 0.245506220000000, 0.555842060000000, 0.381772950000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 14 coordinates: [ 0.305545370000000, 0.177208060000000, 0.710297450000000 ] mass: 65.380000 reduced_to: 14 - symbol: Zn # 15 coordinates: [ 0.894170370000000, 0.982705350000000, 0.846890110000000 ] mass: 65.380000 reduced_to: 15 - symbol: Zn # 16 coordinates: [ 0.055341380000000, 0.913042720000000, 0.608051510000000 ] mass: 65.380000 reduced_to: 16 - symbol: Zn # 17 coordinates: [ 0.750459390000000, 0.443315070000000, 0.119834840000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 18 coordinates: [ 0.105829630000000, 0.017294650000000, 0.153109890000000 ] mass: 65.380000 reduced_to: 18 - symbol: Zn # 19 coordinates: [ 0.249540610000000, 0.943315070000000, 0.380165160000000 ] mass: 65.380000 reduced_to: 19 - symbol: Zn # 20 coordinates: [ 0.425573630000000, 0.961620300000000, 0.133494940000000 ] mass: 65.380000 reduced_to: 20 - symbol: Zn # 21 coordinates: [ 0.779234380000000, 0.730403090000000, 0.944117490000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 22 coordinates: [ 0.694454630000000, 0.677208060000000, 0.789702550000000 ] mass: 65.380000 reduced_to: 22 - symbol: Zn # 23 coordinates: [ 0.245506220000000, 0.944157940000000, 0.881772950000000 ] mass: 65.380000 reduced_to: 23 - symbol: Zn # 24 coordinates: [ 0.574426370000000, 0.038379700000000, 0.866505060000000 ] mass: 65.380000 reduced_to: 24 - symbol: Zn # 25 coordinates: [ 0.430476900000000, 0.572073890000000, 0.131869860000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 26 coordinates: [ 0.779234380000000, 0.769596910000000, 0.444117490000000 ] mass: 65.380000 reduced_to: 26 - symbol: Zn # 27 coordinates: [ 0.425573630000000, 0.538379700000000, 0.633494940000000 ] mass: 65.380000 reduced_to: 27 - symbol: Zn # 28 coordinates: [ 0.105829630000000, 0.482705350000000, 0.653109890000000 ] mass: 65.380000 reduced_to: 28 - symbol: Zn # 29 coordinates: [ 0.569523100000000, 0.072073890000000, 0.368130140000000 ] mass: 65.380000 reduced_to: 29 - symbol: Zn # 30 coordinates: [ 0.894170370000000, 0.517294650000000, 0.346890110000000 ] mass: 65.380000 reduced_to: 30 - symbol: Zn # 31 coordinates: [ 0.944658620000000, 0.086957280000000, 0.391948490000000 ] mass: 65.380000 reduced_to: 31 - symbol: Zn # 32 coordinates: [ 0.694454630000000, 0.822791940000000, 0.289702550000000 ] mass: 65.380000 reduced_to: 32 - symbol: As # 33 coordinates: [ 0.970446480000000, 0.755432360000000, 0.733366150000000 ] mass: 74.921600 reduced_to: 33 - symbol: As # 34 coordinates: [ 0.544477560000000, 0.760006180000000, 0.026048200000000 ] mass: 74.921600 reduced_to: 34 - symbol: As # 35 coordinates: [ 0.135572910000000, 0.748016600000000, 0.989001920000000 ] mass: 74.921600 reduced_to: 35 - symbol: As # 36 coordinates: [ 0.135572910000000, 0.751983400000000, 0.489001920000000 ] mass: 74.921600 reduced_to: 36 - symbol: As # 37 coordinates: [ 0.357103260000000, 0.754723650000000, 0.751267880000000 ] mass: 74.921600 reduced_to: 37 - symbol: As # 38 coordinates: [ 0.455522440000000, 0.260006180000000, 0.473951800000000 ] mass: 74.921600 reduced_to: 38 - symbol: As # 39 coordinates: [ 0.029553520000000, 0.244567640000000, 0.266633850000000 ] mass: 74.921600 reduced_to: 39 - symbol: As # 40 coordinates: [ 0.029553520000000, 0.255432360000000, 0.766633850000000 ] mass: 74.921600 reduced_to: 40 - symbol: As # 41 coordinates: [ 0.642896740000000, 0.245276350000000, 0.248732120000000 ] mass: 74.921600 reduced_to: 41 - symbol: As # 42 coordinates: [ 0.642896740000000, 0.254723650000000, 0.748732120000000 ] mass: 74.921600 reduced_to: 42 - symbol: As # 43 coordinates: [ 0.357103260000000, 0.745276350000000, 0.251267880000000 ] mass: 74.921600 reduced_to: 43 - symbol: As # 44 coordinates: [ 0.544477560000000, 0.739993820000000, 0.526048200000000 ] mass: 74.921600 reduced_to: 44 - symbol: As # 45 coordinates: [ 0.455522440000000, 0.239993820000000, 0.973951800000000 ] mass: 74.921600 reduced_to: 45 - symbol: As # 46 coordinates: [ 0.864427090000000, 0.251983400000000, 0.010998080000000 ] mass: 74.921600 reduced_to: 46 - symbol: As # 47 coordinates: [ 0.970446480000000, 0.744567640000000, 0.233366150000000 ] mass: 74.921600 reduced_to: 47 - symbol: As # 48 coordinates: [ 0.864427090000000, 0.248016600000000, 0.510998080000000 ] mass: 74.921600 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.097053680000000, 0.911627590000000, 0.931307270000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.559470620000000, 0.927392440000000, 0.080854570000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.693634350000000, 0.269989940000000, 0.434553710000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.514457540000000, 0.255579420000000, 0.288403780000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.306365650000000, 0.730010060000000, 0.565446290000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.723141820000000, 0.612472300000000, 0.362901970000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.131659500000000, 0.568489460000000, 0.945863230000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.850205040000000, 0.250655560000000, 0.191947250000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.055788720000000, 0.410042620000000, 0.827784630000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.559470620000000, 0.572607560000000, 0.580854570000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.514457540000000, 0.244420580000000, 0.788403780000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.001574260000000, 0.263382430000000, 0.980199070000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.693634350000000, 0.230010060000000, 0.934553710000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.634469750000000, 0.450055490000000, 0.718215160000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.585836480000000, 0.391686580000000, 0.183968340000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.563680200000000, 0.910830330000000, 0.579428790000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.298537580000000, 0.274202200000000, 0.487022060000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.183339490000000, 0.784644770000000, 0.177298380000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.758584010000000, 0.959310820000000, 0.378188200000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.850205040000000, 0.249344440000000, 0.691947250000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.622574470000000, 0.247358730000000, 0.054198590000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.306365650000000, 0.769989940000000, 0.065446290000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.998425740000000, 0.736617570000000, 0.019800930000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.414163520000000, 0.891686580000000, 0.316031660000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.701462420000000, 0.774202200000000, 0.012977940000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.241415990000000, 0.459310820000000, 0.121811800000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.158357320000000, 0.296798380000000, 0.732986350000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.723141820000000, 0.887527700000000, 0.862901970000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.063359760000000, 0.425330250000000, 0.312242670000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.841642680000000, 0.796798380000000, 0.767013650000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.944211280000000, 0.910042620000000, 0.672215370000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.902946320000000, 0.088372410000000, 0.068692730000000 ] mass: 15.999400 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.298537580000000, 0.225797800000000, 0.987022060000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.816660510000000, 0.284644770000000, 0.322701620000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.276858180000000, 0.387527700000000, 0.637098030000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.063359760000000, 0.074669750000000, 0.812242670000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.634469750000000, 0.049944510000000, 0.218215160000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.758584010000000, 0.540689180000000, 0.878188200000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.841642680000000, 0.703201620000000, 0.267013650000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.902946320000000, 0.411627590000000, 0.568692730000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.097053680000000, 0.588372410000000, 0.431307270000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.585836480000000, 0.108313420000000, 0.683968340000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.944211280000000, 0.589957380000000, 0.172215370000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.436319800000000, 0.089169670000000, 0.420571210000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.485542460000000, 0.755579420000000, 0.211596220000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.276858180000000, 0.112472300000000, 0.137098030000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.485542460000000, 0.744420580000000, 0.711596220000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.622574470000000, 0.252641270000000, 0.554198590000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.414163520000000, 0.608313420000000, 0.816031660000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.131659500000000, 0.931510540000000, 0.445863230000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.183339490000000, 0.715355230000000, 0.677298380000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.158357320000000, 0.203201620000000, 0.232986350000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.377425530000000, 0.747358730000000, 0.445801410000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.365530250000000, 0.950055490000000, 0.781784840000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.936640240000000, 0.574669750000000, 0.687757330000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.816660510000000, 0.215355230000000, 0.822701620000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.868340500000000, 0.431510540000000, 0.054136770000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.436319800000000, 0.410830330000000, 0.920571210000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.241415990000000, 0.040689180000000, 0.621811800000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.936640240000000, 0.925330250000000, 0.187757330000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.055788720000000, 0.089957380000000, 0.327784630000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.868340500000000, 0.068489460000000, 0.554136770000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.377425530000000, 0.752641270000000, 0.945801410000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.563680200000000, 0.589169670000000, 0.079428790000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.149794960000000, 0.749344440000000, 0.808052750000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.001574260000000, 0.236617570000000, 0.480199070000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.365530250000000, 0.549944510000000, 0.281784840000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.149794960000000, 0.750655560000000, 0.308052750000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.440529380000000, 0.072607560000000, 0.919145430000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.440529380000000, 0.427392440000000, 0.419145430000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.701462420000000, 0.725797800000000, 0.512977940000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.998425740000000, 0.763382430000000, 0.519800930000000 ] mass: 15.999400 reduced_to: 120displacements:- atom: 1 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ -0.0819915200000000, 0.0118230700000000, -0.0249795600000000 ] - [ 0.0008331900000000, -0.0007372500000000, 0.0017850400000000 ] - [ 0.0134719100000000, -0.0045764600000000, -0.0015109400000000 ] - [ 0.0140117700000000, 0.0060372900000000, -0.0007094100000000 ] - [ 0.0014083700000000, -0.0003735300000000, 0.0015279900000000 ] - [ -0.0001233000000000, -0.0005315500000000, 0.0001758900000000 ] - [ 0.0002824800000000, 0.0005846900000000, -0.0006966800000000 ] - [ 0.0007183300000000, 0.0005471700000000, 0.0013109400000000 ] - [ -0.0000532700000000, 0.0011672900000000, -0.0004483900000000 ] - [ -0.0001775800000000, -0.0001467900000000, -0.0000638900000000 ] - [ -0.0016071500000000, 0.0024342300000000, -0.0003138600000000 ] - [ 0.0018302000000000, 0.0014570400000000, -0.0014400200000000 ] - [ 0.0001306100000000, 0.0003541700000000, -0.0001375100000000 ] - [ -0.0013665300000000, -0.0000131100000000, -0.0010987400000000 ] - [ 0.0029485400000000, -0.0004637600000000, 0.0002111200000000 ] - [ -0.0009087400000000, 0.0003127300000000, 0.0001024600000000 ] - [ 0.0013976000000000, 0.0007176600000000, 0.0016322500000000 ] - [ 0.0004509700000000, -0.0000775300000000, 0.0001099900000000 ] - [ 0.0001581600000000, 0.0002500400000000, 0.0000516300000000 ] - [ -0.0016852300000000, -0.0012736000000000, -0.0002195800000000 ] - [ 0.0042839400000000, -0.0007372700000000, 0.0005141700000000 ] - [ 0.0042057800000000, -0.0009915100000000, 0.0006142200000000 ] - [ -0.0076931500000000, -0.0002366400000000, -0.0037850600000000 ] - [ 0.0023806300000000, -0.0000630400000000, -0.0006497100000000 ] - [ -0.0025695000000000, 0.0011528400000000, -0.0004734000000000 ] - [ -0.0000730200000000, 0.0005940000000000, -0.0004235400000000 ] - [ 0.0008553600000000, -0.0007571800000000, -0.0007997700000000 ] - [ -0.0021919400000000, -0.0015086100000000, 0.0001184400000000 ] - [ 0.0001736800000000, 0.0004742700000000, -0.0001581700000000 ] - [ 0.0000104000000000, 0.0003464900000000, -0.0001894000000000 ] - [ -0.0004603200000000, 0.0004463800000000, -0.0001296500000000 ] - [ -0.0001731100000000, 0.0007021800000000, 0.0000356700000000 ] - [ 0.0013012000000000, -0.0047612100000000, 0.0074795000000000 ] - [ 0.0020285200000000, 0.0033077000000000, 0.0095727100000000 ] - [ 0.0031748800000000, -0.0204023700000000, -0.0142357200000000 ] - [ -0.0002057600000000, -0.0001086800000000, 0.0001377200000000 ] - [ -0.0027777900000000, 0.0132040900000000, -0.0139515200000000 ] - [ 0.0014701200000000, 0.0003304800000000, 0.0006100900000000 ] - [ 0.0002907000000000, 0.0003308800000000, 0.0002562900000000 ] - [ -0.0076575600000000, 0.0112653800000000, 0.0115342700000000 ] - [ 0.0003477200000000, -0.0009083500000000, 0.0014023900000000 ] - [ 0.0059562700000000, 0.0005735800000000, 0.0015962600000000 ] - [ -0.0008493500000000, -0.0009795700000000, -0.0012818400000000 ] - [ -0.0005850100000000, -0.0004392500000000, 0.0001542400000000 ] - [ -0.0073945100000000, -0.0162162900000000, 0.0114652300000000 ] - [ 0.0054971000000000, 0.0002869200000000, 0.0005955700000000 ] - [ 0.0007934700000000, 0.0002583700000000, 0.0006954900000000 ] - [ -0.0003333200000000, 0.0002165200000000, 0.0001810600000000 ] - [ 0.0005092500000000, 0.0045230100000000, 0.0001488200000000 ] - [ 0.0013107000000000, -0.0007737900000000, -0.0024822200000000 ] - [ 0.0003504300000000, 0.0000854800000000, 0.0002679800000000 ] - [ 0.0004545300000000, -0.0002975700000000, -0.0001650300000000 ] - [ -0.0003394700000000, -0.0000571700000000, -0.0000014400000000 ] - [ 0.0002563000000000, 0.0002218600000000, -0.0001627400000000 ] - [ 0.0142783500000000, 0.0051356600000000, -0.0047919700000000 ] - [ -0.0003361500000000, 0.0005889300000000, -0.0004713900000000 ] - [ 0.0185603700000000, 0.0075694000000000, 0.0048374900000000 ] - [ 0.0001382700000000, 0.0002412600000000, -0.0004021900000000 ] - [ -0.0025975800000000, 0.0011118700000000, 0.0014868600000000 ] - [ -0.0033648300000000, -0.0018681200000000, 0.0014352700000000 ] - [ -0.0031241200000000, 0.0008768200000000, -0.0007676500000000 ] - [ -0.0017453000000000, -0.0004584600000000, 0.0002712800000000 ] - [ 0.0001311600000000, 0.0001664300000000, -0.0006725600000000 ] - [ -0.0003504200000000, 0.0001516800000000, -0.0000341700000000 ] - [ -0.0005510400000000, 0.0002740400000000, -0.0000743100000000 ] - [ 0.0003226400000000, -0.0000353800000000, 0.0014169300000000 ] - [ 0.0002094500000000, 0.0002387800000000, 0.0000243200000000 ] - [ -0.0009083900000000, -0.0027783900000000, -0.0036509700000000 ] - [ -0.0014797100000000, 0.0027588800000000, -0.0051503000000000 ] - [ 0.0033869800000000, 0.0031356600000000, 0.0036007400000000 ] - [ -0.0049175300000000, 0.0026898300000000, 0.0030656000000000 ] - [ 0.0003708500000000, 0.0001393100000000, 0.0003201600000000 ] - [ -0.0015648700000000, -0.0001600300000000, -0.0007169100000000 ] - [ -0.0000740200000000, -0.0004156300000000, 0.0011567300000000 ] - [ 0.0052362800000000, -0.0000387200000000, -0.0018076200000000 ] - [ -0.0024759200000000, -0.0003520400000000, -0.0002937700000000 ] - [ -0.0002514200000000, 0.0000854200000000, -0.0006684900000000 ] - [ -0.0008052900000000, 0.0009196700000000, -0.0009634400000000 ] - [ 0.0006627100000000, 0.0001130700000000, -0.0011524200000000 ] - [ -0.0012670000000000, 0.0002737300000000, -0.0000896600000000 ] - [ 0.0060487800000000, 0.0003363800000000, -0.0014380300000000 ] - [ -0.0003776600000000, -0.0002038600000000, -0.0011032000000000 ] - [ 0.0002257800000000, 0.0002943200000000, 0.0004795500000000 ] - [ 0.0011330600000000, -0.0042905700000000, -0.0006879000000000 ] - [ 0.0000134500000000, 0.0008557300000000, 0.0000281900000000 ] - [ -0.0057285900000000, -0.0000620300000000, -0.0007440900000000 ] - [ 0.0002280100000000, -0.0002810000000000, -0.0002337000000000 ] - [ 0.0006683400000000, -0.0003736500000000, -0.0005494100000000 ] - [ -0.0002499400000000, 0.0002983000000000, 0.0000965700000000 ] - [ -0.0017128500000000, -0.0002472600000000, -0.0003046500000000 ] - [ -0.0004790000000000, 0.0001786100000000, 0.0000195300000000 ] - [ -0.0002195400000000, -0.0003545300000000, -0.0000986500000000 ] - [ 0.0002226600000000, -0.0002597800000000, 0.0004870400000000 ] - [ 0.0000666100000000, 0.0004916400000000, 0.0002489600000000 ] - [ -0.0037983700000000, -0.0016034600000000, 0.0039615000000000 ] - [ -0.0006562500000000, -0.0001506700000000, -0.0012829600000000 ] - [ -0.0044216700000000, -0.0068547800000000, 0.0087195500000000 ] - [ 0.0002429200000000, -0.0000098800000000, -0.0000082600000000 ] - [ 0.0032807900000000, -0.0009013800000000, 0.0037149100000000 ] - [ -0.0006513200000000, -0.0003407200000000, 0.0001036100000000 ] - [ 0.0000368700000000, 0.0002100000000000, 0.0004275600000000 ] - [ 0.0012211100000000, -0.0039589000000000, 0.0009565900000000 ] - [ 0.0006709700000000, 0.0003812800000000, -0.0016822300000000 ] - [ -0.0036688400000000, -0.0007813100000000, -0.0020171400000000 ] - [ -0.0019971200000000, -0.0003167400000000, -0.0001095600000000 ] - [ 0.0297750600000000, -0.0157986700000000, 0.0084925300000000 ] - [ 0.0001064600000000, -0.0006277400000000, 0.0003665200000000 ] - [ -0.0002646700000000, 0.0003435200000000, 0.0002253900000000 ] - [ -0.0001627100000000, 0.0003665600000000, -0.0002945300000000 ] - [ 0.0001215000000000, -0.0000392300000000, -0.0003937700000000 ] - [ 0.0054708500000000, 0.0049352000000000, 0.0031199300000000 ] - [ 0.0008174000000000, -0.0002653700000000, -0.0024401600000000 ] - [ 0.0044371100000000, -0.0033178000000000, 0.0022557100000000 ] - [ -0.0001314800000000, 0.0002481200000000, -0.0001386900000000 ] - [ 0.0002619300000000, 0.0008883000000000, -0.0002398600000000 ] - [ -0.0004055900000000, 0.0006661600000000, -0.0005964700000000 ] - [ 0.0001464500000000, 0.0041374200000000, 0.0006629900000000 ] - [ -0.0007273700000000, 0.0000295500000000, 0.0001363500000000 ] - [ 0.0001943400000000, -0.0002326400000000, -0.0001170500000000 ] - [ 0.0007030800000000, -0.0003264700000000, 0.0002901600000000 ]- atom: 1 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ 0.0824861600000000, -0.0103665000000000, 0.0236919500000000 ] - [ -0.0006123900000000, 0.0000224500000000, -0.0012926300000000 ] - [ -0.0128289400000000, 0.0035223900000000, 0.0009555500000000 ] - [ -0.0148662300000000, -0.0069759300000000, 0.0001152400000000 ] - [ -0.0011911000000000, 0.0010872100000000, -0.0010291000000000 ] - [ -0.0001670900000000, -0.0006606600000000, 0.0008218200000000 ] - [ -0.0008147000000000, -0.0015346400000000, 0.0012665300000000 ] - [ -0.0005585700000000, -0.0010438500000000, -0.0012259400000000 ] - [ -0.0001684600000000, 0.0004710300000000, 0.0006088000000000 ] - [ 0.0000343600000000, -0.0001540700000000, -0.0002485100000000 ] - [ 0.0013241000000000, -0.0012466200000000, 0.0013175300000000 ] - [ -0.0011062100000000, -0.0006135200000000, 0.0020352000000000 ] - [ -0.0003479200000000, 0.0003575200000000, -0.0003507600000000 ] - [ 0.0011371500000000, -0.0016243400000000, 0.0012546000000000 ] - [ -0.0027021600000000, -0.0001587200000000, -0.0008507900000000 ] - [ 0.0016223700000000, -0.0011514600000000, 0.0004889300000000 ] - [ -0.0012586600000000, -0.0002204400000000, -0.0015691900000000 ] - [ -0.0006913500000000, 0.0007089100000000, 0.0005229700000000 ] - [ -0.0003108800000000, 0.0002493100000000, -0.0001344900000000 ] - [ 0.0018325600000000, 0.0009732200000000, 0.0005248800000000 ] - [ -0.0039923500000000, -0.0004448000000000, -0.0014989000000000 ] - [ -0.0039698700000000, -0.0006421500000000, -0.0007794400000000 ] - [ 0.0074746700000000, -0.0005260800000000, 0.0032803200000000 ] - [ -0.0025266900000000, 0.0003753700000000, 0.0003579600000000 ] - [ 0.0020455200000000, -0.0001962300000000, 0.0010571200000000 ] - [ 0.0003614100000000, 0.0005982800000000, -0.0005807200000000 ] - [ -0.0007073200000000, 0.0010539600000000, 0.0011016000000000 ] - [ 0.0019382700000000, 0.0008693800000000, 0.0005153700000000 ] - [ 0.0003608300000000, 0.0004831300000000, -0.0004223800000000 ] - [ 0.0002284000000000, 0.0002847700000000, -0.0004454500000000 ] - [ -0.0002666100000000, 0.0003991900000000, -0.0004661100000000 ] - [ 0.0003944400000000, 0.0009397200000000, -0.0001979500000000 ] - [ -0.0003991300000000, 0.0039779900000000, -0.0068138100000000 ] - [ -0.0040179100000000, -0.0026240000000000, -0.0097498500000000 ] - [ -0.0033977500000000, 0.0207793200000000, 0.0153307700000000 ] - [ 0.0000179600000000, -0.0002061900000000, 0.0008536500000000 ] - [ 0.0010987800000000, -0.0112192900000000, 0.0122017900000000 ] - [ 0.0004696000000000, 0.0003173500000000, -0.0004543700000000 ] - [ -0.0011224900000000, 0.0004751100000000, -0.0009026900000000 ] - [ 0.0068086500000000, -0.0120466600000000, -0.0121478200000000 ] - [ 0.0012998800000000, -0.0009532600000000, 0.0002293400000000 ] - [ -0.0042903200000000, 0.0012804900000000, 0.0000387500000000 ] - [ -0.0007972900000000, -0.0008821700000000, -0.0003534900000000 ] - [ -0.0013466800000000, -0.0002084100000000, -0.0003137800000000 ] - [ 0.0093468700000000, 0.0155969300000000, -0.0113339300000000 ] - [ -0.0053249800000000, -0.0006053500000000, -0.0015911800000000 ] - [ 0.0000323000000000, 0.0005484100000000, -0.0000561400000000 ] - [ 0.0005160900000000, 0.0000971600000000, -0.0011786900000000 ] - [ -0.0010571200000000, -0.0050212200000000, -0.0001452000000000 ] - [ -0.0001084100000000, 0.0006784200000000, 0.0019116300000000 ] - [ 0.0003710400000000, 0.0000830600000000, 0.0008281400000000 ] - [ -0.0002580500000000, -0.0002089000000000, 0.0001812900000000 ] - [ -0.0003821800000000, -0.0001104200000000, -0.0010885000000000 ] - [ -0.0000967400000000, 0.0002404700000000, -0.0000951600000000 ] - [ -0.0148894200000000, -0.0051866100000000, 0.0054593200000000 ] - [ 0.0007121200000000, 0.0007192500000000, 0.0013935000000000 ] - [ -0.0192460800000000, -0.0088994800000000, -0.0056407400000000 ] - [ 0.0010555700000000, -0.0001386200000000, -0.0001851800000000 ] - [ 0.0027869000000000, -0.0005974400000000, -0.0014692400000000 ] - [ 0.0023719600000000, 0.0012429100000000, -0.0014658300000000 ] - [ 0.0038618300000000, -0.0010491200000000, 0.0018608700000000 ] - [ 0.0012295500000000, -0.0012755200000000, 0.0006491300000000 ] - [ -0.0008282300000000, -0.0001140200000000, 0.0003213900000000 ] - [ 0.0005390200000000, 0.0003778300000000, -0.0000946000000000 ] - [ 0.0000395600000000, 0.0002833200000000, -0.0000756800000000 ] - [ 0.0004909200000000, -0.0003323300000000, 0.0003274200000000 ] - [ -0.0000790500000000, 0.0002575600000000, 0.0002507400000000 ] - [ 0.0012693800000000, 0.0014614700000000, 0.0045404500000000 ] - [ 0.0010410400000000, -0.0023792100000000, 0.0041015800000000 ] - [ -0.0041183400000000, -0.0029773400000000, -0.0047074600000000 ] - [ 0.0059013600000000, -0.0020508200000000, -0.0030382800000000 ] - [ 0.0003234300000000, -0.0000847600000000, 0.0000355300000000 ] - [ 0.0020958300000000, 0.0007093300000000, 0.0008630000000000 ] - [ -0.0000592800000000, 0.0009130100000000, -0.0014323700000000 ] - [ -0.0056825800000000, 0.0006372200000000, 0.0019208800000000 ] - [ 0.0026312700000000, -0.0001165700000000, 0.0000309100000000 ] - [ 0.0000959500000000, 0.0003277500000000, -0.0002356200000000 ] - [ 0.0012374700000000, -0.0003308800000000, 0.0008522500000000 ] - [ -0.0006118600000000, -0.0006829400000000, 0.0013558300000000 ] - [ 0.0018070100000000, 0.0002018100000000, 0.0000837100000000 ] - [ -0.0065652500000000, -0.0008977200000000, 0.0012909400000000 ] - [ -0.0004365600000000, -0.0001630800000000, -0.0006406000000000 ] - [ -0.0003853200000000, -0.0007511200000000, -0.0002153900000000 ] - [ -0.0012908900000000, 0.0038715300000000, -0.0002144900000000 ] - [ -0.0005242900000000, 0.0008863000000000, 0.0008931800000000 ] - [ 0.0058540700000000, -0.0004328600000000, 0.0010118100000000 ] - [ 0.0002278200000000, -0.0003168100000000, 0.0001141200000000 ] - [ -0.0001279900000000, -0.0001008900000000, 0.0005432100000000 ] - [ -0.0002867000000000, 0.0001789400000000, -0.0000881500000000 ] - [ 0.0010113300000000, 0.0001920500000000, -0.0000488500000000 ] - [ 0.0005375500000000, 0.0003994200000000, 0.0002041400000000 ] - [ 0.0000226400000000, -0.0001770700000000, 0.0002290000000000 ] - [ -0.0004218700000000, -0.0002465400000000, -0.0005027100000000 ] - [ -0.0002294300000000, -0.0000299500000000, 0.0000097400000000 ] - [ 0.0035838700000000, 0.0020948500000000, -0.0039521200000000 ] - [ 0.0002079500000000, -0.0002328400000000, 0.0002113400000000 ] - [ 0.0052192200000000, 0.0067664600000000, -0.0083454400000000 ] - [ 0.0002330200000000, 0.0001632300000000, -0.0001798300000000 ] - [ -0.0024432500000000, 0.0012551100000000, -0.0019477800000000 ] - [ 0.0001971400000000, -0.0002569600000000, 0.0000171600000000 ] - [ 0.0004088300000000, 0.0001740800000000, 0.0006454800000000 ] - [ -0.0007026400000000, 0.0021893800000000, -0.0018701100000000 ] - [ -0.0005223300000000, -0.0008016300000000, 0.0025806500000000 ] - [ 0.0028381300000000, 0.0011453200000000, 0.0002725200000000 ] - [ 0.0015253900000000, 0.0004730600000000, 0.0002973000000000 ] - [ -0.0288965000000000, 0.0150998400000000, -0.0076342900000000 ] - [ -0.0002340000000000, 0.0001288100000000, -0.0006356500000000 ] - [ 0.0004216200000000, 0.0000656900000000, 0.0006837200000000 ] - [ 0.0001063100000000, 0.0002102700000000, 0.0000729600000000 ] - [ -0.0005960000000000, -0.0001174000000000, 0.0005821500000000 ] - [ -0.0050647400000000, -0.0052274300000000, -0.0019692200000000 ] - [ -0.0006174100000000, -0.0002717800000000, 0.0023177900000000 ] - [ -0.0047464900000000, 0.0019170000000000, -0.0030960900000000 ] - [ -0.0008679400000000, 0.0003831300000000, 0.0001162100000000 ] - [ 0.0002470100000000, 0.0008513600000000, -0.0006774700000000 ] - [ 0.0000316600000000, 0.0006421700000000, -0.0003215100000000 ] - [ -0.0013410400000000, -0.0040449500000000, -0.0000878600000000 ] - [ -0.0004727900000000, -0.0001300400000000, 0.0004516300000000 ] - [ 0.0003105500000000, -0.0003244200000000, 0.0002699200000000 ] - [ 0.0002991500000000, -0.0003050200000000, -0.0002636700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0106592000000000, -0.0959077600000000, 0.0046837000000000 ] - [ -0.0002734900000000, -0.0019872000000000, 0.0006958100000000 ] - [ -0.0063737400000000, -0.0032990400000000, 0.0040366100000000 ] - [ 0.0063236100000000, -0.0026214400000000, -0.0046044400000000 ] - [ 0.0008152000000000, 0.0027438000000000, -0.0003469700000000 ] - [ -0.0001072500000000, -0.0004013100000000, 0.0007900000000000 ] - [ -0.0001763500000000, 0.0002064100000000, 0.0002419900000000 ] - [ -0.0007187400000000, 0.0018879600000000, 0.0004215600000000 ] - [ -0.0001650400000000, 0.0006872900000000, -0.0001643600000000 ] - [ -0.0001367300000000, -0.0001967600000000, -0.0001288400000000 ] - [ 0.0019944800000000, 0.0001934000000000, -0.0018228000000000 ] - [ 0.0002612000000000, -0.0003368700000000, 0.0003721500000000 ] - [ -0.0000923500000000, 0.0002368700000000, -0.0002559200000000 ] - [ -0.0016224800000000, 0.0010324900000000, 0.0010019300000000 ] - [ -0.0005555100000000, 0.0029380500000000, -0.0009394800000000 ] - [ 0.0011755200000000, 0.0003722200000000, -0.0006861300000000 ] - [ 0.0005435600000000, -0.0017305900000000, -0.0009951600000000 ] - [ -0.0001037400000000, 0.0007734700000000, 0.0000048700000000 ] - [ -0.0000769600000000, 0.0003627100000000, -0.0000480500000000 ] - [ -0.0007894000000000, 0.0010822500000000, 0.0008164500000000 ] - [ 0.0012582600000000, -0.0015281500000000, -0.0015608500000000 ] - [ -0.0005642900000000, -0.0023581800000000, 0.0005373400000000 ] - [ -0.0007997700000000, 0.0192769600000000, -0.0001326700000000 ] - [ -0.0001854800000000, 0.0026391400000000, 0.0007406600000000 ] - [ -0.0008768700000000, -0.0006486400000000, 0.0009936600000000 ] - [ 0.0001262200000000, 0.0005912600000000, -0.0005838500000000 ] - [ 0.0001827700000000, -0.0006015400000000, 0.0002169500000000 ] - [ -0.0000226400000000, -0.0030281400000000, 0.0013212400000000 ] - [ 0.0001943600000000, 0.0005400700000000, -0.0002594800000000 ] - [ 0.0001770100000000, 0.0002355200000000, -0.0003179600000000 ] - [ -0.0002905000000000, 0.0004774600000000, -0.0003082500000000 ] - [ 0.0001450700000000, 0.0008366800000000, 0.0000838200000000 ] - [ -0.0115007000000000, -0.0021887400000000, -0.0151732500000000 ] - [ 0.0085151700000000, -0.0012488700000000, 0.0164501500000000 ] - [ -0.0093170600000000, -0.0005062100000000, 0.0060096900000000 ] - [ 0.0001263800000000, -0.0001434400000000, 0.0003598000000000 ] - [ 0.0060076700000000, 0.0027531300000000, -0.0046940900000000 ] - [ 0.0010183600000000, 0.0003361200000000, 0.0004157400000000 ] - [ -0.0005181600000000, 0.0004381100000000, -0.0006785200000000 ] - [ 0.0007337100000000, 0.0170206200000000, 0.0141419600000000 ] - [ 0.0008966100000000, -0.0005665600000000, 0.0006433500000000 ] - [ 0.0018646000000000, 0.0004656100000000, 0.0028936000000000 ] - [ -0.0011511300000000, -0.0010165000000000, -0.0006255800000000 ] - [ -0.0011415600000000, -0.0004403200000000, -0.0002481700000000 ] - [ -0.0033504400000000, 0.0211113700000000, -0.0130732700000000 ] - [ -0.0010470700000000, -0.0002916700000000, -0.0029063200000000 ] - [ 0.0005521600000000, 0.0003566600000000, 0.0005939700000000 ] - [ 0.0000461200000000, 0.0005345600000000, -0.0002151300000000 ] - [ 0.0024918600000000, -0.0015451300000000, -0.0010351800000000 ] - [ -0.0005711100000000, -0.0032812700000000, -0.0042215000000000 ] - [ 0.0004240700000000, -0.0000015000000000, 0.0005744000000000 ] - [ 0.0002434100000000, -0.0002947000000000, 0.0000089400000000 ] - [ -0.0004210400000000, -0.0000428200000000, -0.0004436100000000 ] - [ 0.0000907800000000, 0.0002831400000000, -0.0001422000000000 ] - [ 0.0014271000000000, 0.0068263000000000, 0.0010286200000000 ] - [ 0.0003720300000000, 0.0006798800000000, 0.0011755500000000 ] - [ 0.0070468700000000, 0.0055979000000000, 0.0031739500000000 ] - [ 0.0008491300000000, 0.0002316700000000, -0.0002791400000000 ] - [ 0.0005433200000000, -0.0001813200000000, -0.0009565300000000 ] - [ -0.0007797700000000, -0.0001208000000000, 0.0007099600000000 ] - [ 0.0026978900000000, -0.0018197400000000, 0.0017028200000000 ] - [ -0.0006289100000000, 0.0000192500000000, -0.0000615100000000 ] - [ -0.0003133000000000, 0.0003738400000000, -0.0001222300000000 ] - [ 0.0004196300000000, 0.0001616400000000, 0.0000418800000000 ] - [ -0.0002563500000000, 0.0002689200000000, -0.0001911500000000 ] - [ 0.0004952200000000, -0.0002657400000000, 0.0007829600000000 ] - [ 0.0000628900000000, 0.0002035500000000, 0.0001186300000000 ] - [ -0.0013770700000000, -0.0029801900000000, -0.0039509700000000 ] - [ 0.0019632300000000, -0.0024288400000000, 0.0044481800000000 ] - [ 0.0013929700000000, 0.0004228400000000, -0.0019340600000000 ] - [ 0.0006610400000000, 0.0010487900000000, 0.0001016100000000 ] - [ 0.0004206600000000, -0.0000554200000000, 0.0001079000000000 ] - [ -0.0038667500000000, 0.0004122100000000, -0.0014594900000000 ] - [ -0.0000150800000000, 0.0009423200000000, 0.0001407500000000 ] - [ 0.0016599900000000, -0.0015246900000000, -0.0042842700000000 ] - [ 0.0004048700000000, -0.0009286000000000, -0.0002004400000000 ] - [ -0.0000832200000000, 0.0003740700000000, -0.0003158400000000 ] - [ 0.0048803000000000, -0.0001642900000000, 0.0006780800000000 ] - [ 0.0016675500000000, -0.0028061100000000, 0.0039746100000000 ] - [ 0.0004795800000000, -0.0005395000000000, 0.0008408100000000 ] - [ -0.0018134700000000, -0.0044971200000000, 0.0039802500000000 ] - [ -0.0004941400000000, -0.0002470800000000, -0.0008956400000000 ] - [ 0.0003269000000000, 0.0003421400000000, -0.0004337200000000 ] - [ -0.0001242100000000, -0.0073563100000000, 0.0001042900000000 ] - [ -0.0001966500000000, 0.0005024600000000, 0.0001801300000000 ] - [ -0.0001982300000000, 0.0010783900000000, 0.0001021600000000 ] - [ 0.0001175800000000, -0.0002713800000000, -0.0001341000000000 ] - [ 0.0001039700000000, 0.0000059400000000, -0.0002290200000000 ] - [ -0.0003276700000000, 0.0003134800000000, 0.0000548300000000 ] - [ -0.0005765400000000, -0.0007992200000000, -0.0010048700000000 ] - [ -0.0002320700000000, 0.0004692900000000, 0.0000515000000000 ] - [ -0.0000757800000000, -0.0003804100000000, -0.0000482100000000 ] - [ 0.0001252600000000, -0.0002402300000000, -0.0003887100000000 ] - [ -0.0002040200000000, -0.0003819800000000, 0.0008152400000000 ] - [ -0.0007084300000000, 0.0001552000000000, 0.0004094100000000 ] - [ -0.0004173500000000, -0.0001491400000000, -0.0011518300000000 ] - [ -0.0023971900000000, 0.0044507500000000, 0.0002743500000000 ] - [ 0.0001811900000000, -0.0000072100000000, -0.0000535200000000 ] - [ -0.0010363000000000, 0.0006276000000000, 0.0024139600000000 ] - [ -0.0002343200000000, -0.0002766000000000, 0.0002063100000000 ] - [ 0.0002593500000000, 0.0002101800000000, 0.0005924900000000 ] - [ -0.0013479500000000, -0.0027024100000000, -0.0001358400000000 ] - [ 0.0014513500000000, 0.0041375800000000, 0.0028843600000000 ] - [ -0.0024567400000000, -0.0016564400000000, -0.0018003400000000 ] - [ 0.0000635600000000, 0.0009624600000000, 0.0008414700000000 ] - [ -0.0149045400000000, 0.0125166400000000, -0.0061447400000000 ] - [ -0.0001770600000000, -0.0008782400000000, -0.0002571200000000 ] - [ -0.0002559300000000, 0.0000861400000000, 0.0002869200000000 ] - [ -0.0000461200000000, 0.0001787200000000, 0.0000033600000000 ] - [ -0.0002752000000000, -0.0007266200000000, 0.0003516100000000 ] - [ 0.0040942300000000, 0.0181348200000000, 0.0062694400000000 ] - [ -0.0009015300000000, 0.0030389700000000, -0.0027901000000000 ] - [ -0.0004952200000000, 0.0211361800000000, -0.0110661200000000 ] - [ -0.0006432300000000, 0.0002465800000000, -0.0000260200000000 ] - [ 0.0003212400000000, 0.0009924300000000, -0.0004555600000000 ] - [ -0.0002145500000000, 0.0006751100000000, -0.0005258900000000 ] - [ -0.0005122300000000, -0.0071817400000000, -0.0006052500000000 ] - [ -0.0005742300000000, 0.0000601300000000, 0.0001758100000000 ] - [ 0.0003898700000000, -0.0002261600000000, 0.0001826100000000 ] - [ 0.0003648300000000, -0.0002908600000000, 0.0002570900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0115112800000000, 0.0942033000000000, -0.0046044000000000 ] - [ 0.0004884900000000, 0.0012746600000000, -0.0002097000000000 ] - [ 0.0069058800000000, 0.0023626100000000, -0.0046245900000000 ] - [ -0.0070545200000000, 0.0018160400000000, 0.0040249400000000 ] - [ -0.0005905400000000, -0.0020328200000000, 0.0008511800000000 ] - [ -0.0001819700000000, -0.0007916800000000, 0.0002133200000000 ] - [ -0.0003575400000000, -0.0011685700000000, 0.0003402700000000 ] - [ 0.0008725000000000, -0.0023910000000000, -0.0003416600000000 ] - [ -0.0000569100000000, 0.0009529000000000, 0.0003251700000000 ] - [ -0.0000063700000000, -0.0001037600000000, -0.0001823400000000 ] - [ -0.0023037300000000, 0.0010072600000000, 0.0028382700000000 ] - [ 0.0004667600000000, 0.0011816600000000, 0.0002162400000000 ] - [ -0.0001242500000000, 0.0004747900000000, -0.0002294100000000 ] - [ 0.0014113800000000, -0.0026776300000000, -0.0008456900000000 ] - [ 0.0007808900000000, -0.0035691400000000, 0.0003028500000000 ] - [ -0.0004506700000000, -0.0012202200000000, 0.0012819300000000 ] - [ -0.0003954900000000, 0.0022287400000000, 0.0010614800000000 ] - [ -0.0001368100000000, -0.0001446000000000, 0.0006280600000000 ] - [ -0.0000756300000000, 0.0001350900000000, -0.0000319900000000 ] - [ 0.0009306300000000, -0.0013907700000000, -0.0005078000000000 ] - [ -0.0009615400000000, 0.0003304200000000, 0.0005582400000000 ] - [ 0.0007782900000000, 0.0007143800000000, -0.0006936800000000 ] - [ 0.0005640200000000, -0.0197862200000000, -0.0003698700000000 ] - [ 0.0000570900000000, -0.0023354500000000, -0.0010501800000000 ] - [ 0.0003442600000000, 0.0016074600000000, -0.0004117400000000 ] - [ 0.0001642800000000, 0.0005998800000000, -0.0004181500000000 ] - [ -0.0000389800000000, 0.0009061400000000, 0.0000983600000000 ] - [ -0.0002132700000000, 0.0024054100000000, -0.0006888100000000 ] - [ 0.0003409200000000, 0.0004157900000000, -0.0003193400000000 ] - [ 0.0000628400000000, 0.0003961500000000, -0.0003139600000000 ] - [ -0.0004352600000000, 0.0003653100000000, -0.0002852500000000 ] - [ 0.0000765100000000, 0.0008037700000000, -0.0002438500000000 ] - [ 0.0123351400000000, 0.0014093200000000, 0.0157909600000000 ] - [ -0.0104337800000000, 0.0019179500000000, -0.0165709800000000 ] - [ 0.0090900500000000, 0.0006956100000000, -0.0049938300000000 ] - [ -0.0003120000000000, -0.0001731100000000, 0.0006391900000000 ] - [ -0.0076224000000000, -0.0009474100000000, 0.0030674100000000 ] - [ 0.0009163600000000, 0.0003110400000000, -0.0002583800000000 ] - [ -0.0003103700000000, 0.0003680300000000, 0.0000359100000000 ] - [ -0.0016442600000000, -0.0178656100000000, -0.0148672700000000 ] - [ 0.0007515600000000, -0.0012967200000000, 0.0009946400000000 ] - [ -0.0002174100000000, 0.0013982800000000, -0.0012597900000000 ] - [ -0.0004951100000000, -0.0008468500000000, -0.0010095100000000 ] - [ -0.0007913900000000, -0.0002069400000000, 0.0000921000000000 ] - [ 0.0054377000000000, -0.0218088700000000, 0.0133208600000000 ] - [ 0.0012318000000000, -0.0000217400000000, 0.0019055700000000 ] - [ 0.0002755500000000, 0.0004493000000000, 0.0000491800000000 ] - [ 0.0001401400000000, -0.0002229400000000, -0.0007839700000000 ] - [ -0.0030021200000000, 0.0010889600000000, 0.0010195400000000 ] - [ 0.0017712800000000, 0.0031940900000000, 0.0036485500000000 ] - [ 0.0002981800000000, 0.0001690800000000, 0.0005217400000000 ] - [ -0.0000451400000000, -0.0002131400000000, 0.0000071500000000 ] - [ -0.0002996100000000, -0.0001264000000000, -0.0006512800000000 ] - [ 0.0000694800000000, 0.0001773700000000, -0.0001166100000000 ] - [ -0.0008737200000000, -0.0069875900000000, -0.0012763800000000 ] - [ 0.0000008900000000, 0.0006272900000000, -0.0002568900000000 ] - [ -0.0076109300000000, -0.0064514100000000, -0.0037696900000000 ] - [ 0.0003502400000000, -0.0001313000000000, -0.0003090300000000 ] - [ -0.0003514200000000, 0.0006844700000000, 0.0009733200000000 ] - [ -0.0002162700000000, -0.0005167200000000, -0.0007320200000000 ] - [ -0.0019727900000000, 0.0016450800000000, -0.0006072400000000 ] - [ 0.0001206300000000, -0.0017649400000000, 0.0009802700000000 ] - [ -0.0003831600000000, -0.0003192100000000, -0.0002335100000000 ] - [ -0.0002240900000000, 0.0003687300000000, -0.0001727800000000 ] - [ -0.0002525500000000, 0.0002878700000000, 0.0000395300000000 ] - [ 0.0003186200000000, -0.0001018100000000, 0.0009621700000000 ] - [ 0.0000679100000000, 0.0002940300000000, 0.0001564500000000 ] - [ 0.0017556000000000, 0.0016660700000000, 0.0048688800000000 ] - [ -0.0024185900000000, 0.0028023300000000, -0.0055115800000000 ] - [ -0.0021009200000000, -0.0002396900000000, 0.0008443000000000 ] - [ 0.0003251800000000, -0.0003993300000000, -0.0000683300000000 ] - [ 0.0002755100000000, 0.0001100800000000, 0.0002478800000000 ] - [ 0.0043752600000000, 0.0001425900000000, 0.0016082000000000 ] - [ -0.0001137500000000, -0.0004492400000000, -0.0004123100000000 ] - [ -0.0021137700000000, 0.0021221500000000, 0.0044275400000000 ] - [ -0.0002404700000000, 0.0004704500000000, -0.0000581000000000 ] - [ -0.0000722700000000, 0.0000367900000000, -0.0005901000000000 ] - [ -0.0044217000000000, 0.0007617400000000, -0.0007900200000000 ] - [ -0.0016178700000000, 0.0022424600000000, -0.0037710500000000 ] - [ 0.0000581100000000, 0.0010123000000000, -0.0008433300000000 ] - [ 0.0012963900000000, 0.0039516000000000, -0.0041696600000000 ] - [ -0.0003200300000000, -0.0001210400000000, -0.0008491900000000 ] - [ -0.0004919600000000, -0.0008078500000000, 0.0006953600000000 ] - [ -0.0000175900000000, 0.0069344300000000, -0.0009942300000000 ] - [ -0.0003130700000000, 0.0012378100000000, 0.0007386000000000 ] - [ 0.0003265500000000, -0.0015763400000000, 0.0001708000000000 ] - [ 0.0003365700000000, -0.0003281300000000, 0.0000144200000000 ] - [ 0.0004341200000000, -0.0004799300000000, 0.0002274700000000 ] - [ -0.0002098800000000, 0.0001603300000000, -0.0000500300000000 ] - [ -0.0001179200000000, 0.0007440100000000, 0.0006516100000000 ] - [ 0.0002902100000000, 0.0001060900000000, 0.0001717200000000 ] - [ -0.0001179200000000, -0.0001502200000000, 0.0001790900000000 ] - [ -0.0003223200000000, -0.0002679600000000, 0.0003731600000000 ] - [ 0.0000464200000000, 0.0008452500000000, -0.0005598500000000 ] - [ 0.0005213000000000, 0.0003612500000000, -0.0004379300000000 ] - [ -0.0000272200000000, -0.0002366000000000, 0.0000827400000000 ] - [ 0.0031191500000000, -0.0044690500000000, 0.0000583100000000 ] - [ 0.0002944800000000, 0.0001634700000000, -0.0001376100000000 ] - [ 0.0018431800000000, -0.0002569900000000, -0.0006740300000000 ] - [ -0.0002199200000000, -0.0003223800000000, -0.0000859900000000 ] - [ 0.0001867300000000, 0.0001742800000000, 0.0004774800000000 ] - [ 0.0018479900000000, 0.0009729900000000, -0.0007737800000000 ] - [ -0.0012912100000000, -0.0045530800000000, -0.0019699600000000 ] - [ 0.0016437700000000, 0.0020185300000000, 0.0000591800000000 ] - [ -0.0005388600000000, -0.0008077800000000, -0.0006493300000000 ] - [ 0.0155499300000000, -0.0124367600000000, 0.0067514400000000 ] - [ 0.0000449600000000, 0.0003827600000000, -0.0000152500000000 ] - [ 0.0004123000000000, 0.0003239800000000, 0.0006209900000000 ] - [ -0.0000109400000000, 0.0003979200000000, -0.0002255600000000 ] - [ -0.0001996500000000, 0.0005725600000000, -0.0001618000000000 ] - [ -0.0031724900000000, -0.0176467100000000, -0.0043503500000000 ] - [ 0.0010921000000000, -0.0035687800000000, 0.0026549600000000 ] - [ -0.0001666500000000, -0.0214423300000000, 0.0090431900000000 ] - [ -0.0003611200000000, 0.0003843300000000, 0.0000034800000000 ] - [ 0.0001880300000000, 0.0007450000000000, -0.0004607800000000 ] - [ -0.0001587900000000, 0.0006327600000000, -0.0003937100000000 ] - [ -0.0007063200000000, 0.0072670300000000, 0.0011811300000000 ] - [ -0.0006232200000000, -0.0001624100000000, 0.0004122900000000 ] - [ 0.0001198800000000, -0.0003328800000000, -0.0000299200000000 ] - [ 0.0006357200000000, -0.0003415700000000, -0.0002337300000000 ]- atom: 1 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ 0.0165803800000000, -0.0017074400000000, -0.0466544000000000 ] - [ 0.0010887200000000, 0.0005485500000000, 0.0018526700000000 ] - [ -0.0044661500000000, 0.0040542600000000, -0.0064578900000000 ] - [ -0.0064533600000000, -0.0072641400000000, -0.0091376200000000 ] - [ 0.0007027200000000, 0.0012285300000000, 0.0010757600000000 ] - [ -0.0003857800000000, -0.0005708700000000, 0.0020041200000000 ] - [ -0.0007288100000000, -0.0011032200000000, 0.0015377400000000 ] - [ 0.0009163500000000, -0.0009501500000000, 0.0012881300000000 ] - [ -0.0002478600000000, 0.0005727200000000, 0.0017864300000000 ] - [ 0.0000002400000000, -0.0004243600000000, 0.0015244600000000 ] - [ -0.0010262000000000, -0.0011364100000000, 0.0020598000000000 ] - [ -0.0008644200000000, -0.0003168700000000, 0.0023299100000000 ] - [ -0.0000529300000000, 0.0003880400000000, 0.0014425000000000 ] - [ -0.0015911900000000, -0.0007207600000000, 0.0006737200000000 ] - [ -0.0003152100000000, 0.0002281500000000, -0.0051809700000000 ] - [ 0.0002416500000000, -0.0012523800000000, 0.0025396000000000 ] - [ 0.0008902100000000, -0.0008823100000000, 0.0009647100000000 ] - [ -0.0007085600000000, 0.0005943500000000, 0.0012328300000000 ] - [ -0.0001011000000000, 0.0002560600000000, 0.0016440100000000 ] - [ 0.0004899100000000, 0.0011780500000000, 0.0024491300000000 ] - [ -0.0015197500000000, -0.0005754300000000, -0.0049731100000000 ] - [ -0.0011277000000000, -0.0002776600000000, -0.0031473100000000 ] - [ 0.0005405000000000, -0.0005941100000000, -0.0111361100000000 ] - [ -0.0003961800000000, -0.0006092900000000, -0.0039913100000000 ] - [ 0.0000290000000000, -0.0004490100000000, 0.0036031600000000 ] - [ 0.0001406900000000, 0.0005753400000000, 0.0011667400000000 ] - [ -0.0006976500000000, 0.0005531600000000, 0.0013936100000000 ] - [ -0.0003742300000000, 0.0008709700000000, 0.0036692400000000 ] - [ 0.0003127300000000, 0.0008178000000000, 0.0013093500000000 ] - [ 0.0002020600000000, 0.0004881900000000, 0.0010885900000000 ] - [ -0.0003056600000000, 0.0003034700000000, 0.0013816600000000 ] - [ 0.0003022700000000, 0.0008193700000000, 0.0015219300000000 ] - [ 0.0107722400000000, -0.0030547700000000, 0.0103136900000000 ] - [ 0.0064012100000000, 0.0027213300000000, 0.0077623900000000 ] - [ -0.0096531600000000, 0.0232070400000000, 0.0123671800000000 ] - [ -0.0002971100000000, -0.0001063600000000, 0.0032327000000000 ] - [ -0.0059688200000000, -0.0111764500000000, 0.0098600100000000 ] - [ 0.0007534100000000, 0.0003928600000000, 0.0023009300000000 ] - [ -0.0007761400000000, 0.0004727900000000, 0.0017834900000000 ] - [ 0.0046021400000000, 0.0048909300000000, 0.0005482000000000 ] - [ 0.0009278900000000, -0.0009297300000000, 0.0031648700000000 ] - [ 0.0001947100000000, 0.0012235300000000, -0.0007601100000000 ] - [ -0.0013256900000000, -0.0009278200000000, 0.0018787500000000 ] - [ -0.0009700300000000, -0.0002997900000000, 0.0023053600000000 ] - [ 0.0081985300000000, -0.0024167200000000, -0.0021108300000000 ] - [ -0.0021656600000000, -0.0004628500000000, -0.0022458800000000 ] - [ 0.0003036100000000, 0.0004886400000000, 0.0026879000000000 ] - [ 0.0002077800000000, 0.0003327000000000, 0.0022542200000000 ] - [ 0.0002189800000000, -0.0064159100000000, 0.0043030800000000 ] - [ -0.0005386500000000, -0.0014277700000000, -0.0019244300000000 ] - [ -0.0001790500000000, 0.0001423400000000, -0.0011123400000000 ] - [ 0.0002600500000000, -0.0001669100000000, -0.0014456300000000 ] - [ -0.0006918900000000, -0.0000210500000000, -0.0022391000000000 ] - [ 0.0000958600000000, 0.0002038400000000, -0.0013047800000000 ] - [ -0.0107294500000000, -0.0042506500000000, 0.0111656100000000 ] - [ -0.0000445800000000, 0.0007018000000000, -0.0004526000000000 ] - [ -0.0044047500000000, 0.0010357800000000, 0.0058807200000000 ] - [ 0.0005266300000000, 0.0003384600000000, -0.0012844700000000 ] - [ 0.0009445700000000, -0.0000661200000000, 0.0013409300000000 ] - [ 0.0012496600000000, 0.0008054300000000, 0.0005026000000000 ] - [ 0.0007645800000000, 0.0002881600000000, 0.0022388800000000 ] - [ -0.0000205300000000, -0.0013214100000000, 0.0010840300000000 ] - [ -0.0005281800000000, 0.0008131800000000, -0.0014471000000000 ] - [ 0.0001282100000000, -0.0000227000000000, -0.0010632100000000 ] - [ 0.0003077300000000, 0.0002948800000000, -0.0010414600000000 ] - [ 0.0003047100000000, -0.0002157200000000, -0.0006033100000000 ] - [ -0.0000573700000000, 0.0002271100000000, -0.0011085600000000 ] - [ -0.0005891900000000, -0.0007170000000000, 0.0006080800000000 ] - [ -0.0005114300000000, -0.0004962800000000, 0.0010161000000000 ] - [ -0.0010198700000000, -0.0029984800000000, -0.0043704100000000 ] - [ 0.0059984900000000, -0.0024187800000000, -0.0024613600000000 ] - [ 0.0004252800000000, -0.0006162100000000, -0.0011791800000000 ] - [ -0.0025023100000000, 0.0002990800000000, 0.0003237800000000 ] - [ 0.0004736200000000, 0.0009137000000000, -0.0019924600000000 ] - [ -0.0017940800000000, -0.0019574900000000, -0.0010436000000000 ] - [ 0.0009937100000000, -0.0001870100000000, 0.0027050900000000 ] - [ -0.0000397400000000, -0.0001673200000000, -0.0014192800000000 ] - [ -0.0040679500000000, 0.0009201100000000, 0.0013035600000000 ] - [ -0.0012596100000000, 0.0012891700000000, -0.0023532800000000 ] - [ 0.0007672400000000, 0.0000747400000000, 0.0000135200000000 ] - [ -0.0029426400000000, 0.0020708500000000, 0.0002337100000000 ] - [ -0.0008240000000000, -0.0002636300000000, -0.0021686500000000 ] - [ 0.0006580300000000, -0.0007388500000000, -0.0009023900000000 ] - [ -0.0012045100000000, -0.0004561500000000, 0.0015473600000000 ] - [ -0.0004052500000000, 0.0006189500000000, -0.0006877500000000 ] - [ 0.0040572500000000, -0.0003543800000000, 0.0038149300000000 ] - [ 0.0004932200000000, -0.0001515100000000, -0.0010497100000000 ] - [ 0.0001752500000000, -0.0010133700000000, -0.0015987500000000 ] - [ -0.0002379800000000, -0.0003429400000000, -0.0014328000000000 ] - [ -0.0001609100000000, 0.0002831500000000, 0.0001331600000000 ] - [ 0.0001251900000000, -0.0000052600000000, -0.0009793000000000 ] - [ 0.0000858000000000, -0.0007445200000000, -0.0010399500000000 ] - [ 0.0001683100000000, -0.0003365500000000, -0.0019535400000000 ] - [ 0.0003923400000000, -0.0000343600000000, -0.0008113600000000 ] - [ 0.0031527300000000, 0.0018080700000000, -0.0029791800000000 ] - [ -0.0006629700000000, -0.0002065100000000, -0.0017072700000000 ] - [ 0.0088791800000000, 0.0047262600000000, -0.0026167200000000 ] - [ 0.0003927000000000, 0.0005361100000000, -0.0012845600000000 ] - [ 0.0005355400000000, 0.0014798600000000, -0.0018819200000000 ] - [ 0.0004311800000000, -0.0003918700000000, -0.0008752100000000 ] - [ -0.0001705300000000, 0.0002193800000000, -0.0009354900000000 ] - [ 0.0012243900000000, 0.0028364400000000, 0.0003362900000000 ] - [ -0.0017294000000000, -0.0011386700000000, -0.0019602700000000 ] - [ -0.0008434300000000, -0.0004409000000000, 0.0004829800000000 ] - [ 0.0003260500000000, 0.0006683000000000, 0.0004562400000000 ] - [ -0.0054220300000000, -0.0014876500000000, 0.0059986100000000 ] - [ 0.0003700100000000, -0.0000552600000000, -0.0011641500000000 ] - [ 0.0000079000000000, 0.0004484900000000, -0.0004313500000000 ] - [ 0.0001514700000000, 0.0007000700000000, -0.0012705700000000 ] - [ -0.0001796800000000, 0.0004753600000000, -0.0011863500000000 ] - [ 0.0010384100000000, 0.0048619900000000, 0.0070349200000000 ] - [ -0.0014799700000000, 0.0001684500000000, -0.0020406600000000 ] - [ -0.0013021500000000, -0.0086777200000000, 0.0096081400000000 ] - [ -0.0003394900000000, 0.0001070000000000, -0.0013602000000000 ] - [ 0.0002628000000000, 0.0010513900000000, -0.0017633900000000 ] - [ -0.0004270100000000, 0.0006357300000000, -0.0019341000000000 ] - [ -0.0021166300000000, -0.0003470200000000, 0.0028680800000000 ] - [ -0.0004264200000000, 0.0003528900000000, -0.0008088500000000 ] - [ 0.0005300300000000, -0.0002470200000000, -0.0009560900000000 ] - [ 0.0006569100000000, -0.0004934900000000, -0.0015772900000000 ]- atom: 1 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ -0.0151734000000000, 0.0001517800000000, 0.0458874900000000 ] - [ -0.0008720600000000, -0.0012683700000000, -0.0013570800000000 ] - [ 0.0050064700000000, -0.0050570200000000, 0.0059384100000000 ] - [ 0.0057210400000000, 0.0063825400000000, 0.0084920500000000 ] - [ -0.0004863700000000, -0.0005147400000000, -0.0005796600000000 ] - [ 0.0000970100000000, -0.0006222300000000, -0.0010041500000000 ] - [ 0.0002001100000000, 0.0001542700000000, -0.0009634100000000 ] - [ -0.0007581500000000, 0.0004546500000000, -0.0011968500000000 ] - [ 0.0000266900000000, 0.0010641200000000, -0.0016225600000000 ] - [ -0.0001447600000000, 0.0001221300000000, -0.0018352600000000 ] - [ 0.0007343700000000, 0.0023152800000000, -0.0010483800000000 ] - [ 0.0015835000000000, 0.0011585500000000, -0.0017340200000000 ] - [ -0.0001627400000000, 0.0003247600000000, -0.0019259800000000 ] - [ 0.0013748900000000, -0.0009210800000000, -0.0005146700000000 ] - [ 0.0005628300000000, -0.0008520200000000, 0.0045374000000000 ] - [ 0.0004707800000000, 0.0004158900000000, -0.0019471800000000 ] - [ -0.0007472500000000, 0.0013753100000000, -0.0009048500000000 ] - [ 0.0004654000000000, 0.0000376500000000, -0.0005994500000000 ] - [ -0.0000514200000000, 0.0002425200000000, -0.0017243000000000 ] - [ -0.0003366200000000, -0.0014733700000000, -0.0021386200000000 ] - [ 0.0017989700000000, -0.0006118300000000, 0.0039832100000000 ] - [ 0.0013734400000000, -0.0013605900000000, 0.0029910200000000 ] - [ -0.0007521900000000, -0.0001614300000000, 0.0106353200000000 ] - [ 0.0002494500000000, 0.0009215300000000, 0.0037051400000000 ] - [ -0.0005512600000000, 0.0014027800000000, -0.0030034000000000 ] - [ 0.0001475600000000, 0.0006171700000000, -0.0021696200000000 ] - [ 0.0008498500000000, -0.0002564300000000, -0.0010861600000000 ] - [ 0.0001244900000000, -0.0015124200000000, -0.0030590400000000 ] - [ 0.0002220300000000, 0.0001395000000000, -0.0018871300000000 ] - [ 0.0000374400000000, 0.0001429800000000, -0.0017218500000000 ] - [ -0.0004201700000000, 0.0005411400000000, -0.0019762000000000 ] - [ -0.0000796700000000, 0.0008230500000000, -0.0016817700000000 ] - [ -0.0099372200000000, 0.0023034900000000, -0.0096336500000000 ] - [ -0.0083384000000000, -0.0020251600000000, -0.0079882600000000 ] - [ 0.0093304700000000, -0.0227622800000000, -0.0112583800000000 ] - [ 0.0001116100000000, -0.0002081900000000, -0.0022409500000000 ] - [ 0.0043585000000000, 0.0131859100000000, -0.0116228400000000 ] - [ 0.0011861800000000, 0.0002544700000000, -0.0021390300000000 ] - [ -0.0000544900000000, 0.0003337800000000, -0.0024294400000000 ] - [ -0.0055272900000000, -0.0056572800000000, -0.0010883200000000 ] - [ 0.0007224000000000, -0.0009332000000000, -0.0015309300000000 ] - [ 0.0014760600000000, 0.0006314700000000, 0.0024047500000000 ] - [ -0.0003240300000000, -0.0009326000000000, -0.0035095600000000 ] - [ -0.0009633200000000, -0.0003461300000000, -0.0024628000000000 ] - [ -0.0062070400000000, 0.0018251800000000, 0.0021834100000000 ] - [ 0.0023341400000000, 0.0001464900000000, 0.0012451100000000 ] - [ 0.0005220600000000, 0.0003205300000000, -0.0020478500000000 ] - [ -0.0000248000000000, -0.0000217800000000, -0.0032505200000000 ] - [ -0.0007638000000000, 0.0059148300000000, -0.0042876900000000 ] - [ 0.0017370300000000, 0.0013345700000000, 0.0013627100000000 ] - [ 0.0009015100000000, 0.0000266800000000, 0.0022104800000000 ] - [ -0.0000642200000000, -0.0003383100000000, 0.0014632000000000 ] - [ -0.0000293700000000, -0.0001474200000000, 0.0011513900000000 ] - [ 0.0000641000000000, 0.0002590400000000, 0.0010469900000000 ] - [ 0.0099271600000000, 0.0041800600000000, -0.0105720300000000 ] - [ 0.0004217400000000, 0.0006078600000000, 0.0013804400000000 ] - [ 0.0044393600000000, -0.0015722500000000, -0.0060679600000000 ] - [ 0.0006696100000000, -0.0002362000000000, 0.0006969900000000 ] - [ -0.0007561200000000, 0.0005756400000000, -0.0013295100000000 ] - [ -0.0022427300000000, -0.0014322700000000, -0.0005250100000000 ] - [ -0.0000257700000000, -0.0004622100000000, -0.0011378500000000 ] - [ -0.0004970800000000, -0.0004125300000000, -0.0001666800000000 ] - [ -0.0001691300000000, -0.0007602800000000, 0.0010967400000000 ] - [ 0.0000628400000000, 0.0005507400000000, 0.0009320100000000 ] - [ -0.0008156600000000, 0.0002624500000000, 0.0008919400000000 ] - [ 0.0005109300000000, -0.0001535700000000, 0.0023489300000000 ] - [ 0.0001880300000000, 0.0002695300000000, 0.0013848500000000 ] - [ 0.0009598600000000, -0.0006075100000000, 0.0002805500000000 ] - [ 0.0000684200000000, 0.0008724600000000, -0.0020617800000000 ] - [ 0.0002916800000000, 0.0031449900000000, 0.0032550100000000 ] - [ -0.0049950100000000, 0.0030532900000000, 0.0024857600000000 ] - [ 0.0002700000000000, 0.0006680600000000, 0.0015341600000000 ] - [ 0.0030287700000000, 0.0002559500000000, -0.0001630900000000 ] - [ -0.0006023200000000, -0.0004139000000000, 0.0017154400000000 ] - [ 0.0013778900000000, 0.0025804700000000, 0.0011599200000000 ] - [ -0.0008362600000000, -0.0002807700000000, -0.0029680600000000 ] - [ -0.0001150800000000, 0.0005766600000000, 0.0005133700000000 ] - [ 0.0045106700000000, -0.0003228800000000, -0.0014220300000000 ] - [ 0.0013142200000000, -0.0018588700000000, 0.0025509800000000 ] - [ -0.0002246600000000, 0.0004006600000000, -0.0000164300000000 ] - [ 0.0024039200000000, -0.0026147900000000, -0.0003673500000000 ] - [ 0.0000095200000000, -0.0001034000000000, 0.0004254900000000 ] - [ -0.0008229300000000, 0.0002822500000000, 0.0011700100000000 ] - [ 0.0010515700000000, 0.0000146600000000, -0.0024562800000000 ] - [ -0.0001056000000000, 0.0011226300000000, 0.0016116400000000 ] - [ -0.0039333000000000, -0.0001381500000000, -0.0035435000000000 ] - [ -0.0000390400000000, -0.0004470600000000, 0.0009322800000000 ] - [ 0.0003673100000000, 0.0005415700000000, 0.0015971000000000 ] - [ -0.0002995900000000, 0.0008196100000000, 0.0014431600000000 ] - [ -0.0005413200000000, -0.0003389500000000, -0.0004870200000000 ] - [ -0.0000665900000000, 0.0005827800000000, 0.0012059500000000 ] - [ -0.0002823200000000, 0.0002143300000000, 0.0011734100000000 ] - [ -0.0003666900000000, -0.0001696800000000, 0.0019372400000000 ] - [ -0.0005524300000000, 0.0004955000000000, 0.0010725100000000 ] - [ -0.0033746800000000, -0.0013140100000000, 0.0029901300000000 ] - [ 0.0002130100000000, -0.0001776200000000, 0.0006316500000000 ] - [ -0.0081766900000000, -0.0048262200000000, 0.0029416600000000 ] - [ 0.0000842800000000, -0.0003800000000000, 0.0010973200000000 ] - [ 0.0002933300000000, -0.0011310300000000, 0.0036535500000000 ] - [ -0.0008861200000000, -0.0002049400000000, 0.0009982100000000 ] - [ 0.0006171400000000, 0.0001657900000000, 0.0020098500000000 ] - [ -0.0007075200000000, -0.0046072600000000, -0.0012551100000000 ] - [ 0.0018988300000000, 0.0007231600000000, 0.0028628000000000 ] - [ 0.0000089800000000, 0.0008016400000000, -0.0022324700000000 ] - [ -0.0007965200000000, -0.0005098400000000, -0.0002622200000000 ] - [ 0.0050049100000000, 0.0021843600000000, -0.0059600700000000 ] - [ -0.0005022400000000, -0.0004443800000000, 0.0008968700000000 ] - [ 0.0001500800000000, -0.0000398000000000, 0.0013446800000000 ] - [ -0.0002074100000000, -0.0001228800000000, 0.0010490200000000 ] - [ -0.0002918300000000, -0.0006284200000000, 0.0013737200000000 ] - [ -0.0004513100000000, -0.0050709900000000, -0.0058656800000000 ] - [ 0.0016633200000000, -0.0007097200000000, 0.0019182100000000 ] - [ 0.0007488000000000, 0.0077943000000000, -0.0108105800000000 ] - [ -0.0006642800000000, 0.0005248600000000, 0.0013404100000000 ] - [ 0.0002472600000000, 0.0006882000000000, 0.0008459700000000 ] - [ 0.0000540900000000, 0.0006735600000000, 0.0010164700000000 ] - [ 0.0009196100000000, 0.0004277200000000, -0.0022791800000000 ] - [ -0.0007727200000000, -0.0004546300000000, 0.0013997200000000 ] - [ -0.0000240600000000, -0.0003110300000000, 0.0011103300000000 ] - [ 0.0003475300000000, -0.0001378900000000, 0.0016072100000000 ]- atom: 2 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ 0.0006479800000000, -0.0006279200000000, 0.0014351800000000 ] - [ -0.1035019900000000, 0.0070957200000000, -0.0433641000000000 ] - [ 0.0012446400000000, -0.0008627600000000, -0.0010474600000000 ] - [ -0.0018663800000000, -0.0006664600000000, -0.0003888900000000 ] - [ 0.0003202400000000, 0.0003386900000000, 0.0004580200000000 ] - [ 0.0039713600000000, -0.0006353700000000, 0.0007490400000000 ] - [ 0.0024304300000000, -0.0012426700000000, -0.0004443700000000 ] - [ -0.0075041200000000, 0.0004577900000000, -0.0031220300000000 ] - [ -0.0004022100000000, 0.0009505800000000, 0.0002773900000000 ] - [ -0.0021779300000000, 0.0008120400000000, -0.0006626800000000 ] - [ -0.0003267100000000, 0.0006007000000000, 0.0006807300000000 ] - [ 0.0002756000000000, 0.0004342200000000, 0.0005348600000000 ] - [ 0.0013740500000000, 0.0007529700000000, 0.0014523600000000 ] - [ 0.0025907400000000, -0.0011666900000000, 0.0004234900000000 ] - [ -0.0010034200000000, 0.0007359700000000, 0.0002569100000000 ] - [ 0.0026976800000000, -0.0007454000000000, -0.0000006800000000 ] - [ 0.0003122900000000, 0.0002653400000000, 0.0002218000000000 ] - [ -0.0002040400000000, 0.0002552700000000, 0.0005339300000000 ] - [ 0.0012276300000000, -0.0004526100000000, 0.0012941900000000 ] - [ -0.0000177100000000, -0.0001534600000000, 0.0003338100000000 ] - [ 0.0002012900000000, -0.0009697200000000, -0.0007538200000000 ] - [ -0.0009348700000000, -0.0038957900000000, -0.0023351900000000 ] - [ 0.0002245300000000, 0.0003530200000000, 0.0009400400000000 ] - [ 0.0004159100000000, 0.0007885400000000, -0.0005825600000000 ] - [ -0.0003648500000000, 0.0004966700000000, 0.0004942000000000 ] - [ -0.0011758600000000, 0.0009593100000000, -0.0008203500000000 ] - [ 0.0128276800000000, -0.0011384500000000, -0.0020680600000000 ] - [ 0.0165190100000000, 0.0018620600000000, 0.0068049900000000 ] - [ -0.0016206500000000, -0.0005956800000000, -0.0006434700000000 ] - [ 0.0008138000000000, 0.0007243800000000, -0.0006093900000000 ] - [ 0.0005923500000000, -0.0009949600000000, -0.0019491800000000 ] - [ 0.0001649900000000, 0.0007217400000000, -0.0004034300000000 ] - [ -0.0024219300000000, 0.0116483900000000, 0.0068539900000000 ] - [ -0.0005170800000000, 0.0003681100000000, 0.0005280600000000 ] - [ -0.0005319800000000, 0.0001170900000000, 0.0012474200000000 ] - [ 0.0046663700000000, -0.0002962900000000, 0.0018954700000000 ] - [ 0.0041003100000000, 0.0010808100000000, -0.0001691200000000 ] - [ 0.0048268300000000, 0.0038914600000000, 0.0112015700000000 ] - [ -0.0000227900000000, 0.0006082000000000, 0.0001710000000000 ] - [ -0.0017008500000000, -0.0053478700000000, 0.0061956800000000 ] - [ 0.0007763300000000, -0.0010430600000000, 0.0004176300000000 ] - [ 0.0019139500000000, 0.0109493300000000, -0.0061244200000000 ] - [ -0.0012856000000000, -0.0009021100000000, -0.0001000300000000 ] - [ -0.0104504600000000, -0.0187668800000000, 0.0136995900000000 ] - [ 0.0012497300000000, -0.0003447900000000, 0.0005079500000000 ] - [ -0.0000054300000000, -0.0001002700000000, -0.0006005300000000 ] - [ 0.0011029900000000, 0.0004044000000000, 0.0010194800000000 ] - [ 0.0005396000000000, -0.0205914200000000, -0.0199291000000000 ] - [ 0.0000429300000000, -0.0001755100000000, -0.0005279100000000 ] - [ 0.0004977100000000, -0.0001335200000000, -0.0004856900000000 ] - [ 0.0044928500000000, 0.0023270100000000, 0.0050002500000000 ] - [ 0.0004336700000000, -0.0003275100000000, 0.0005120800000000 ] - [ -0.0041762200000000, 0.0013933200000000, -0.0018838700000000 ] - [ 0.0002643300000000, -0.0001997600000000, 0.0001979600000000 ] - [ 0.0005763700000000, -0.0002216400000000, -0.0006050700000000 ] - [ -0.0000480500000000, 0.0006355600000000, 0.0002420800000000 ] - [ 0.0008912300000000, 0.0002020000000000, -0.0017702000000000 ] - [ 0.0377968400000000, -0.0166758300000000, 0.0090233400000000 ] - [ -0.0026374100000000, -0.0014039900000000, 0.0015464100000000 ] - [ -0.0002958700000000, -0.0003116700000000, 0.0000460100000000 ] - [ 0.0002956000000000, -0.0001470700000000, 0.0007815300000000 ] - [ -0.0043473500000000, -0.0039189900000000, 0.0075555300000000 ] - [ -0.0003279600000000, -0.0000508000000000, -0.0000664000000000 ] - [ 0.0013674300000000, 0.0048651100000000, 0.0001944700000000 ] - [ -0.0025907700000000, -0.0005942000000000, -0.0008841500000000 ] - [ 0.0004053800000000, -0.0001532800000000, 0.0005686000000000 ] - [ 0.0001836100000000, 0.0008862300000000, 0.0005872500000000 ] - [ 0.0058986200000000, -0.0032057700000000, 0.0038299500000000 ] - [ -0.0004110800000000, 0.0001916000000000, -0.0007422000000000 ] - [ -0.0003779100000000, 0.0000663600000000, -0.0008800500000000 ] - [ 0.0008649900000000, 0.0004134100000000, -0.0001360700000000 ] - [ 0.0008168000000000, -0.0001760200000000, -0.0004374000000000 ] - [ 0.0000043500000000, 0.0003094000000000, 0.0000258400000000 ] - [ 0.0000704700000000, 0.0002391800000000, -0.0003111400000000 ] - [ -0.0012488000000000, 0.0023255300000000, -0.0021251200000000 ] - [ 0.0004239500000000, -0.0002943100000000, -0.0001114400000000 ] - [ -0.0004728700000000, 0.0000125100000000, -0.0007739500000000 ] - [ 0.0039583400000000, -0.0014853900000000, -0.0017371300000000 ] - [ 0.0005408900000000, -0.0034607600000000, 0.0003834900000000 ] - [ 0.0002842300000000, 0.0002401000000000, -0.0000534800000000 ] - [ -0.0002585000000000, -0.0002814800000000, -0.0003036100000000 ] - [ -0.0004659500000000, -0.0002971600000000, -0.0002976300000000 ] - [ -0.0055017700000000, -0.0005431600000000, -0.0001777400000000 ] - [ 0.0006302000000000, 0.0001364600000000, -0.0009974700000000 ] - [ -0.0002414800000000, 0.0009347800000000, 0.0005406600000000 ] - [ 0.0000809300000000, 0.0001410500000000, 0.0014356600000000 ] - [ -0.0001616400000000, -0.0002907800000000, -0.0000651500000000 ] - [ 0.0193529500000000, 0.0045398600000000, -0.0035278900000000 ] - [ -0.0016584400000000, 0.0000715100000000, -0.0001917400000000 ] - [ -0.0005504300000000, -0.0018020100000000, 0.0010435400000000 ] - [ -0.0001007200000000, 0.0001795700000000, -0.0001550600000000 ] - [ 0.0003682800000000, -0.0012995500000000, -0.0024598500000000 ] - [ 0.0002838400000000, -0.0002473900000000, -0.0002560600000000 ] - [ 0.0000819400000000, 0.0002584700000000, 0.0000313900000000 ] - [ -0.0028817600000000, 0.0013159000000000, 0.0013074200000000 ] - [ 0.0061843000000000, 0.0075533200000000, 0.0034843000000000 ] - [ -0.0009579500000000, 0.0001254000000000, 0.0000495600000000 ] - [ -0.0014191400000000, 0.0008468600000000, -0.0003618900000000 ] - [ -0.0024573600000000, -0.0010550700000000, -0.0001564800000000 ] - [ -0.0002115100000000, -0.0003369600000000, -0.0001656800000000 ] - [ -0.0007111900000000, 0.0029317300000000, -0.0039953600000000 ] - [ -0.0009849400000000, -0.0010880100000000, -0.0006344400000000 ] - [ 0.0205846800000000, 0.0136068500000000, 0.0182158900000000 ] - [ 0.0016339800000000, -0.0013562800000000, 0.0005908700000000 ] - [ -0.0002296000000000, 0.0000633800000000, 0.0001036100000000 ] - [ -0.0004523000000000, 0.0003790000000000, -0.0001111400000000 ] - [ -0.0021702500000000, 0.0001209100000000, -0.0001810200000000 ] - [ -0.0000795700000000, 0.0003452600000000, 0.0002031800000000 ] - [ -0.0005306700000000, 0.0004174100000000, -0.0002159300000000 ] - [ 0.0017767200000000, 0.0051984500000000, 0.0010894500000000 ] - [ -0.0001742700000000, -0.0001679900000000, -0.0002069700000000 ] - [ -0.0000036000000000, -0.0001678100000000, -0.0002893000000000 ] - [ -0.0017915300000000, -0.0028714500000000, -0.0039498800000000 ] - [ -0.0052394000000000, 0.0043129400000000, 0.0042048900000000 ] - [ 0.0005279100000000, 0.0009134800000000, -0.0009506100000000 ] - [ -0.0007323000000000, 0.0006136800000000, -0.0014398000000000 ] - [ -0.0008793500000000, -0.0000847000000000, 0.0001436700000000 ] - [ 0.0001195700000000, -0.0002130600000000, -0.0022581800000000 ] - [ 0.0077213900000000, 0.0003837700000000, -0.0014199300000000 ] - [ -0.0016688000000000, -0.0005906700000000, 0.0008512700000000 ]- atom: 2 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ -0.0007980300000000, 0.0001338800000000, -0.0015087800000000 ] - [ 0.1031537600000000, -0.0096302500000000, 0.0450229500000000 ] - [ -0.0007179500000000, -0.0000936600000000, 0.0004713300000000 ] - [ 0.0011535100000000, -0.0001755200000000, -0.0002030700000000 ] - [ -0.0000943600000000, 0.0003738100000000, 0.0000445300000000 ] - [ -0.0042580800000000, -0.0005639500000000, 0.0002415400000000 ] - [ -0.0029585600000000, 0.0002793000000000, 0.0010130500000000 ] - [ 0.0076604000000000, -0.0009101400000000, 0.0032084600000000 ] - [ 0.0001815800000000, 0.0006885600000000, -0.0001172200000000 ] - [ 0.0020299700000000, -0.0011101700000000, 0.0003504400000000 ] - [ 0.0000392800000000, 0.0005896700000000, 0.0003218400000000 ] - [ 0.0004525500000000, 0.0004099400000000, 0.0000597800000000 ] - [ -0.0015848500000000, -0.0000401300000000, -0.0019376500000000 ] - [ -0.0028112400000000, -0.0004850100000000, -0.0002604600000000 ] - [ 0.0012541500000000, -0.0013729000000000, -0.0008934300000000 ] - [ -0.0019775300000000, -0.0001025900000000, 0.0006019300000000 ] - [ -0.0001659200000000, 0.0002339700000000, -0.0001551800000000 ] - [ -0.0000322400000000, 0.0003755000000000, 0.0001002700000000 ] - [ -0.0013721600000000, 0.0009533400000000, -0.0013737800000000 ] - [ 0.0001592200000000, -0.0001499900000000, -0.0000271200000000 ] - [ 0.0000910000000000, -0.0002175200000000, -0.0002442100000000 ] - [ 0.0011694400000000, 0.0022817400000000, 0.0021887200000000 ] - [ -0.0004493400000000, -0.0010712600000000, -0.0014497300000000 ] - [ -0.0005556600000000, -0.0004894100000000, 0.0002826400000000 ] - [ -0.0001633500000000, 0.0004621500000000, 0.0000910400000000 ] - [ 0.0014581100000000, 0.0002342100000000, -0.0001839800000000 ] - [ -0.0127868900000000, 0.0014970200000000, 0.0023585900000000 ] - [ -0.0165737200000000, -0.0024520000000000, -0.0060900200000000 ] - [ 0.0021494600000000, 0.0015485400000000, 0.0000639900000000 ] - [ -0.0005714600000000, -0.0000929700000000, -0.0000246800000000 ] - [ -0.0013147300000000, 0.0018388000000000, 0.0013513300000000 ] - [ 0.0000584100000000, 0.0009195800000000, 0.0002417900000000 ] - [ 0.0032739900000000, -0.0125201700000000, -0.0062338000000000 ] - [ -0.0014217000000000, 0.0002779400000000, -0.0006855400000000 ] - [ 0.0003516200000000, 0.0001981300000000, -0.0002512300000000 ] - [ -0.0048394900000000, -0.0000178700000000, -0.0008974200000000 ] - [ -0.0057623300000000, 0.0007833400000000, -0.0014577300000000 ] - [ -0.0028382400000000, -0.0032904400000000, -0.0110311400000000 ] - [ -0.0008015500000000, 0.0001975300000000, -0.0008133700000000 ] - [ 0.0007882600000000, 0.0045246700000000, -0.0068536000000000 ] - [ 0.0008728400000000, -0.0008184900000000, 0.0012160700000000 ] - [ -0.0002530500000000, -0.0091857700000000, 0.0078101100000000 ] - [ -0.0003593400000000, -0.0009592800000000, -0.0015329500000000 ] - [ 0.0085204500000000, 0.0181183900000000, -0.0138468200000000 ] - [ 0.0006859100000000, -0.0003037300000000, -0.0003483400000000 ] - [ 0.0001944700000000, -0.0002137900000000, -0.0003943700000000 ] - [ -0.0002718300000000, 0.0004013200000000, -0.0003755700000000 ] - [ -0.0003164400000000, 0.0208184400000000, 0.0188243800000000 ] - [ -0.0005829400000000, -0.0003006200000000, 0.0005373000000000 ] - [ 0.0007038000000000, 0.0000310100000000, -0.0001034600000000 ] - [ -0.0037579200000000, -0.0021464700000000, -0.0038920900000000 ] - [ -0.0002333200000000, -0.0001798300000000, -0.0004935600000000 ] - [ 0.0034397400000000, -0.0015574200000000, 0.0007908600000000 ] - [ -0.0001004400000000, 0.0006597800000000, -0.0004560000000000 ] - [ -0.0001015600000000, 0.0000646800000000, 0.0004165900000000 ] - [ 0.0004229600000000, 0.0006720000000000, 0.0006780600000000 ] - [ -0.0009395400000000, -0.0007771800000000, 0.0015584900000000 ] - [ -0.0382015600000000, 0.0182102500000000, -0.0104999500000000 ] - [ 0.0028448800000000, 0.0019231600000000, -0.0015406800000000 ] - [ -0.0007036900000000, -0.0003193300000000, -0.0000722600000000 ] - [ 0.0004281900000000, -0.0000210300000000, 0.0003106800000000 ] - [ 0.0038444900000000, 0.0022065000000000, -0.0066923000000000 ] - [ -0.0003663700000000, 0.0001038600000000, -0.0002867000000000 ] - [ -0.0011755800000000, -0.0043336700000000, -0.0003141700000000 ] - [ 0.0020647300000000, 0.0011616800000000, 0.0007389600000000 ] - [ 0.0004093900000000, -0.0002138400000000, 0.0011739300000000 ] - [ -0.0000509400000000, -0.0003866800000000, -0.0003124500000000 ] - [ -0.0055742300000000, 0.0019993900000000, -0.0029945000000000 ] - [ -0.0000312500000000, 0.0001925300000000, -0.0003283200000000 ] - [ -0.0003437300000000, 0.0001015300000000, -0.0002170900000000 ] - [ 0.0001343700000000, 0.0002174700000000, 0.0001599200000000 ] - [ -0.0001180100000000, 0.0002282700000000, 0.0007891000000000 ] - [ 0.0005046700000000, 0.0002471500000000, 0.0001255300000000 ] - [ -0.0001992300000000, 0.0002577600000000, 0.0000369800000000 ] - [ 0.0008159300000000, -0.0017143000000000, 0.0022232300000000 ] - [ -0.0002646500000000, -0.0001657600000000, -0.0001489000000000 ] - [ 0.0003169200000000, 0.0003994700000000, -0.0001335900000000 ] - [ -0.0035204500000000, 0.0020890400000000, 0.0016256200000000 ] - [ -0.0004750100000000, 0.0028998600000000, -0.0001696300000000 ] - [ 0.0002566100000000, 0.0002375000000000, 0.0000452600000000 ] - [ -0.0002471400000000, -0.0002753600000000, 0.0001518900000000 ] - [ -0.0003448700000000, -0.0000702600000000, -0.0014419500000000 ] - [ 0.0053490800000000, 0.0000857400000000, 0.0004403200000000 ] - [ -0.0007737600000000, -0.0005570900000000, 0.0001080800000000 ] - [ -0.0002661800000000, 0.0008068900000000, 0.0003781200000000 ] - [ 0.0000510200000000, -0.0006411600000000, -0.0011727300000000 ] - [ 0.0006188700000000, -0.0003067800000000, -0.0000553500000000 ] - [ -0.0173637500000000, -0.0052753100000000, 0.0027227100000000 ] - [ 0.0011192300000000, 0.0004024900000000, 0.0001984600000000 ] - [ -0.0001515100000000, 0.0017693500000000, -0.0013980100000000 ] - [ 0.0001611100000000, 0.0003975300000000, 0.0003778500000000 ] - [ -0.0005645400000000, 0.0007632500000000, 0.0025711400000000 ] - [ -0.0004783100000000, -0.0002595400000000, 0.0002395900000000 ] - [ -0.0002403700000000, 0.0002026600000000, 0.0002281700000000 ] - [ 0.0026947800000000, -0.0008171400000000, -0.0013258400000000 ] - [ -0.0065816900000000, -0.0081005100000000, -0.0046783800000000 ] - [ 0.0016613800000000, -0.0001807100000000, 0.0003014600000000 ] - [ 0.0018931300000000, -0.0006926900000000, 0.0001741200000000 ] - [ 0.0032862000000000, 0.0014183500000000, 0.0018960900000000 ] - [ -0.0002420800000000, -0.0002608900000000, 0.0002853800000000 ] - [ 0.0011521600000000, -0.0025449100000000, 0.0050504000000000 ] - [ 0.0015018800000000, -0.0006515700000000, -0.0002870400000000 ] - [ -0.0200920100000000, -0.0133127100000000, -0.0165319900000000 ] - [ -0.0024633600000000, 0.0017361600000000, -0.0023433000000000 ] - [ -0.0002428300000000, 0.0000915300000000, 0.0000843000000000 ] - [ 0.0002641800000000, 0.0001530500000000, 0.0002384200000000 ] - [ 0.0020431100000000, -0.0006119700000000, -0.0000901900000000 ] - [ 0.0002387400000000, 0.0000665500000000, 0.0007032800000000 ] - [ 0.0004735400000000, 0.0001602200000000, -0.0000072600000000 ] - [ -0.0022398100000000, -0.0053288200000000, -0.0008954300000000 ] - [ 0.0006258800000000, -0.0002170600000000, 0.0012833500000000 ] - [ 0.0001993000000000, -0.0003618700000000, 0.0001587400000000 ] - [ 0.0014417700000000, 0.0015856300000000, 0.0030709600000000 ] - [ 0.0042531900000000, -0.0036836300000000, -0.0042336800000000 ] - [ -0.0000157100000000, 0.0008265000000000, 0.0000318300000000 ] - [ 0.0003591400000000, 0.0006953000000000, 0.0005157000000000 ] - [ -0.0003126500000000, 0.0001874700000000, 0.0004428700000000 ] - [ -0.0013197200000000, 0.0001174700000000, 0.0028407500000000 ] - [ -0.0072062200000000, -0.0009321800000000, 0.0015629800000000 ] - [ 0.0026642500000000, -0.0000435400000000, -0.0008243000000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004519600000000, -0.0018798300000000, 0.0007938100000000 ] - [ 0.0088425000000000, -0.0942380100000000, -0.0097194300000000 ] - [ 0.0003036500000000, -0.0010702600000000, -0.0002070600000000 ] - [ 0.0000688100000000, -0.0011884700000000, -0.0008439200000000 ] - [ 0.0001303100000000, 0.0004687600000000, 0.0002781800000000 ] - [ 0.0008100800000000, -0.0004641700000000, -0.0006748300000000 ] - [ -0.0007463800000000, 0.0022341900000000, 0.0013812400000000 ] - [ -0.0000710500000000, 0.0191802800000000, 0.0002097200000000 ] - [ -0.0000690000000000, 0.0007662800000000, 0.0002696300000000 ] - [ -0.0005739200000000, -0.0016225500000000, 0.0003350600000000 ] - [ -0.0001540500000000, 0.0005868700000000, 0.0004712500000000 ] - [ 0.0004334400000000, 0.0003788500000000, 0.0003138500000000 ] - [ 0.0002877700000000, -0.0016603600000000, -0.0011401700000000 ] - [ -0.0008622600000000, -0.0000946200000000, 0.0002661500000000 ] - [ 0.0006730600000000, 0.0020932500000000, 0.0000648200000000 ] - [ 0.0006857400000000, 0.0023431100000000, -0.0008185400000000 ] - [ 0.0000707700000000, 0.0001291900000000, 0.0000677700000000 ] - [ -0.0000666100000000, 0.0003991800000000, 0.0003558500000000 ] - [ 0.0006547700000000, 0.0026380200000000, -0.0006459900000000 ] - [ 0.0000081700000000, -0.0000939300000000, 0.0002048300000000 ] - [ 0.0001972600000000, -0.0007046600000000, -0.0002237300000000 ] - [ -0.0013602200000000, -0.0015556200000000, 0.0014681100000000 ] - [ -0.0008248000000000, 0.0017516700000000, -0.0000766100000000 ] - [ 0.0000123800000000, 0.0007111300000000, -0.0000401400000000 ] - [ -0.0003338100000000, 0.0004115100000000, 0.0003505900000000 ] - [ 0.0032159100000000, 0.0013027900000000, -0.0030213600000000 ] - [ -0.0055842500000000, -0.0024051200000000, 0.0036677400000000 ] - [ 0.0038503100000000, -0.0061388900000000, -0.0017338600000000 ] - [ -0.0006952000000000, 0.0017678100000000, 0.0007619200000000 ] - [ 0.0001988600000000, -0.0001876800000000, -0.0005527500000000 ] - [ -0.0004323700000000, 0.0012515900000000, -0.0000423100000000 ] - [ 0.0000730400000000, 0.0009750800000000, -0.0003407500000000 ] - [ 0.0030003200000000, 0.0188526100000000, 0.0116208200000000 ] - [ -0.0009079000000000, 0.0003750400000000, 0.0002960800000000 ] - [ -0.0001743100000000, 0.0000028000000000, 0.0007535600000000 ] - [ -0.0013133700000000, -0.0000551500000000, -0.0019657700000000 ] - [ 0.0000908400000000, 0.0015292500000000, 0.0010980900000000 ] - [ 0.0109108400000000, -0.0035604600000000, 0.0168178600000000 ] - [ -0.0002755300000000, 0.0003393900000000, 0.0000375100000000 ] - [ -0.0126413200000000, -0.0042269100000000, -0.0162606000000000 ] - [ 0.0004679300000000, -0.0008260000000000, 0.0010894800000000 ] - [ 0.0076358600000000, -0.0019215800000000, -0.0030803400000000 ] - [ -0.0007708300000000, -0.0011826300000000, -0.0009437500000000 ] - [ -0.0092186800000000, 0.0200194000000000, -0.0139771800000000 ] - [ 0.0007991200000000, -0.0003599900000000, -0.0000296500000000 ] - [ 0.0002696200000000, -0.0001867600000000, -0.0005680100000000 ] - [ 0.0003317500000000, 0.0004263400000000, 0.0000393200000000 ] - [ -0.0097233100000000, 0.0025506800000000, 0.0054895000000000 ] - [ -0.0003985200000000, -0.0006204200000000, -0.0000853500000000 ] - [ 0.0006243300000000, -0.0001630700000000, -0.0004165600000000 ] - [ 0.0019853100000000, 0.0002720700000000, -0.0013471000000000 ] - [ 0.0003392400000000, -0.0002147000000000, -0.0004689200000000 ] - [ 0.0020899400000000, -0.0017288000000000, 0.0006790100000000 ] - [ -0.0001805500000000, 0.0009305100000000, 0.0006123500000000 ] - [ 0.0002110900000000, 0.0003125900000000, 0.0000265100000000 ] - [ 0.0001481500000000, 0.0006496300000000, 0.0003509600000000 ] - [ 0.0012266700000000, 0.0028935000000000, 0.0017490400000000 ] - [ -0.0165805700000000, 0.0128603800000000, -0.0077367200000000 ] - [ -0.0001167100000000, 0.0008254300000000, 0.0002098100000000 ] - [ -0.0005998600000000, -0.0003069100000000, 0.0001597000000000 ] - [ 0.0002948100000000, -0.0000983200000000, 0.0006044600000000 ] - [ -0.0013644400000000, 0.0040023200000000, -0.0003350200000000 ] - [ -0.0002704600000000, 0.0001343700000000, -0.0002865200000000 ] - [ 0.0007622700000000, -0.0062150900000000, -0.0010053500000000 ] - [ -0.0042855600000000, 0.0013190600000000, -0.0015292700000000 ] - [ 0.0003273000000000, -0.0001480400000000, 0.0008288400000000 ] - [ -0.0000453600000000, -0.0006657000000000, 0.0005184800000000 ] - [ 0.0018752700000000, 0.0176008500000000, -0.0059552600000000 ] - [ -0.0001975400000000, 0.0001940000000000, -0.0005144700000000 ] - [ -0.0003022200000000, 0.0001149700000000, -0.0005487000000000 ] - [ 0.0003675100000000, 0.0003371700000000, -0.0000151900000000 ] - [ 0.0004121800000000, -0.0004827500000000, 0.0001704800000000 ] - [ 0.0002528400000000, 0.0002730400000000, -0.0000484100000000 ] - [ -0.0000737000000000, 0.0002971200000000, -0.0001777500000000 ] - [ 0.0039927900000000, 0.0024012300000000, 0.0005649000000000 ] - [ 0.0004464100000000, -0.0006903000000000, -0.0006208300000000 ] - [ -0.0003359000000000, 0.0003589500000000, -0.0006040500000000 ] - [ 0.0017142200000000, -0.0030585700000000, -0.0029528100000000 ] - [ -0.0002341300000000, -0.0065879800000000, 0.0009242300000000 ] - [ 0.0002208300000000, 0.0001904200000000, 0.0000052300000000 ] - [ -0.0001282700000000, -0.0002715400000000, 0.0000069200000000 ] - [ -0.0003278000000000, -0.0000932200000000, -0.0010187700000000 ] - [ 0.0008776700000000, 0.0007681900000000, 0.0000635400000000 ] - [ 0.0018754800000000, -0.0040316000000000, 0.0039692600000000 ] - [ -0.0001901000000000, 0.0007295200000000, 0.0004492700000000 ] - [ -0.0000597900000000, 0.0001880300000000, -0.0000488700000000 ] - [ 0.0002015800000000, -0.0003301800000000, 0.0000722200000000 ] - [ -0.0007449400000000, 0.0051976700000000, 0.0023189800000000 ] - [ 0.0000074700000000, 0.0008753300000000, 0.0006939600000000 ] - [ -0.0028399400000000, -0.0013375400000000, 0.0007436100000000 ] - [ 0.0000143000000000, 0.0003902900000000, 0.0002119700000000 ] - [ -0.0014279800000000, -0.0034009500000000, -0.0043279100000000 ] - [ 0.0000519600000000, -0.0002371200000000, -0.0000298300000000 ] - [ -0.0000673000000000, 0.0001781800000000, 0.0000857700000000 ] - [ 0.0001649000000000, -0.0000960200000000, -0.0008965900000000 ] - [ 0.0050088900000000, 0.0213187900000000, 0.0066993900000000 ] - [ 0.0000917700000000, 0.0005286400000000, -0.0004502400000000 ] - [ 0.0004569500000000, -0.0010363800000000, 0.0006505300000000 ] - [ -0.0016664200000000, -0.0011059200000000, 0.0003017400000000 ] - [ -0.0003303300000000, -0.0003069600000000, -0.0000573700000000 ] - [ 0.0027563500000000, -0.0017680600000000, 0.0050996600000000 ] - [ 0.0001148800000000, -0.0019493500000000, -0.0008622600000000 ] - [ 0.0117436500000000, 0.0097932100000000, 0.0130930000000000 ] - [ -0.0020790400000000, 0.0004770100000000, 0.0005775200000000 ] - [ -0.0002843600000000, 0.0001475500000000, 0.0001027300000000 ] - [ 0.0001218400000000, 0.0004209000000000, 0.0000856700000000 ] - [ -0.0001084000000000, -0.0011819900000000, -0.0000051600000000 ] - [ 0.0000625100000000, 0.0000512600000000, 0.0005462900000000 ] - [ -0.0003632000000000, 0.0001702900000000, -0.0002539400000000 ] - [ 0.0024301400000000, -0.0026412000000000, -0.0005983800000000 ] - [ 0.0000083500000000, -0.0001640600000000, -0.0001199300000000 ] - [ 0.0001152000000000, -0.0001350000000000, -0.0002228000000000 ] - [ -0.0022866000000000, -0.0037159400000000, -0.0051138100000000 ] - [ 0.0001879600000000, 0.0001564400000000, -0.0001159000000000 ] - [ 0.0003155500000000, 0.0011279600000000, -0.0006593500000000 ] - [ -0.0000229000000000, 0.0006885800000000, 0.0001834700000000 ] - [ -0.0002456300000000, -0.0000615500000000, 0.0003538600000000 ] - [ -0.0015317700000000, 0.0034595800000000, -0.0020897600000000 ] - [ -0.0013190000000000, -0.0050022800000000, 0.0057732300000000 ] - [ 0.0003387700000000, -0.0006489800000000, 0.0004365500000000 ]- atom: 2 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003080800000000, 0.0013820700000000, -0.0008602000000000 ] - [ -0.0078679100000000, 0.0951271400000000, 0.0099666600000000 ] - [ 0.0002285600000000, 0.0001110400000000, -0.0003805600000000 ] - [ -0.0007969300000000, 0.0003454200000000, 0.0002493700000000 ] - [ 0.0000941300000000, 0.0002435600000000, 0.0002228400000000 ] - [ -0.0011065400000000, -0.0007217500000000, 0.0016771500000000 ] - [ 0.0001999100000000, -0.0031976200000000, -0.0008002200000000 ] - [ 0.0002242400000000, -0.0198819800000000, -0.0001291600000000 ] - [ -0.0001525300000000, 0.0008710200000000, -0.0001104200000000 ] - [ 0.0004293800000000, 0.0013149300000000, -0.0006452100000000 ] - [ -0.0001359900000000, 0.0006022000000000, 0.0005313800000000 ] - [ 0.0002918800000000, 0.0004632300000000, 0.0002798500000000 ] - [ -0.0005058600000000, 0.0023705900000000, 0.0006543800000000 ] - [ 0.0006439700000000, -0.0015442100000000, -0.0001062700000000 ] - [ -0.0004333500000000, -0.0027203700000000, -0.0006933600000000 ] - [ 0.0000562300000000, -0.0031904200000000, 0.0014132500000000 ] - [ 0.0000739900000000, 0.0003678100000000, -0.0000022200000000 ] - [ -0.0001730100000000, 0.0002310800000000, 0.0002768000000000 ] - [ -0.0008064800000000, -0.0021372500000000, 0.0005641700000000 ] - [ 0.0001319400000000, -0.0002101800000000, 0.0001013800000000 ] - [ 0.0000924700000000, -0.0004883100000000, -0.0007795800000000 ] - [ 0.0015750400000000, -0.0000980200000000, -0.0016286100000000 ] - [ 0.0005998800000000, -0.0024654800000000, -0.0004264300000000 ] - [ -0.0001537600000000, -0.0004073800000000, -0.0002676200000000 ] - [ -0.0001958200000000, 0.0005453400000000, 0.0002341500000000 ] - [ -0.0029008400000000, -0.0001123500000000, 0.0020012000000000 ] - [ 0.0057409700000000, 0.0026890700000000, -0.0033514000000000 ] - [ -0.0041189100000000, 0.0054853000000000, 0.0023400500000000 ] - [ 0.0012267700000000, -0.0008065900000000, -0.0013407200000000 ] - [ 0.0000419400000000, 0.0008168100000000, -0.0000790900000000 ] - [ -0.0002916800000000, -0.0004032400000000, -0.0005471400000000 ] - [ 0.0001481500000000, 0.0006651500000000, 0.0001780900000000 ] - [ -0.0021022000000000, -0.0196358600000000, -0.0108797200000000 ] - [ -0.0010282100000000, 0.0002708600000000, -0.0004528100000000 ] - [ -0.0000112900000000, 0.0003100200000000, 0.0002451700000000 ] - [ 0.0011349400000000, -0.0002624500000000, 0.0029664100000000 ] - [ -0.0017387600000000, 0.0003290700000000, -0.0027319900000000 ] - [ -0.0089836500000000, 0.0041889600000000, -0.0166727000000000 ] - [ -0.0005518500000000, 0.0004646100000000, -0.0006803900000000 ] - [ 0.0118187500000000, 0.0034063500000000, 0.0156505500000000 ] - [ 0.0011797500000000, -0.0010343900000000, 0.0005450900000000 ] - [ -0.0060033100000000, 0.0038465200000000, 0.0047278100000000 ] - [ -0.0008766500000000, -0.0006795100000000, -0.0006924300000000 ] - [ 0.0070872600000000, -0.0206246900000000, 0.0137210300000000 ] - [ 0.0011366300000000, -0.0002896900000000, 0.0001868000000000 ] - [ -0.0000849700000000, -0.0001272800000000, -0.0004314100000000 ] - [ 0.0004966900000000, 0.0003769000000000, 0.0006034000000000 ] - [ 0.0099699800000000, -0.0021222400000000, -0.0064921900000000 ] - [ -0.0001422000000000, 0.0001434600000000, 0.0000930500000000 ] - [ 0.0005733800000000, 0.0000600000000000, -0.0001731000000000 ] - [ -0.0012775800000000, -0.0001181600000000, 0.0024368100000000 ] - [ -0.0001402000000000, -0.0002923800000000, 0.0004813900000000 ] - [ -0.0028207000000000, 0.0015665400000000, -0.0017796700000000 ] - [ 0.0003359300000000, -0.0004650900000000, -0.0008693900000000 ] - [ 0.0002665600000000, -0.0004712300000000, -0.0002172700000000 ] - [ 0.0002252900000000, 0.0006563900000000, 0.0005717200000000 ] - [ -0.0012856300000000, -0.0034703000000000, -0.0019798400000000 ] - [ 0.0170520700000000, -0.0125093800000000, 0.0067504600000000 ] - [ 0.0003096600000000, -0.0003311300000000, -0.0001941300000000 ] - [ -0.0004044200000000, -0.0003275400000000, -0.0001825500000000 ] - [ 0.0004282100000000, -0.0000713000000000, 0.0004946200000000 ] - [ 0.0008287900000000, -0.0057571700000000, 0.0012794300000000 ] - [ -0.0004263200000000, -0.0000845400000000, -0.0000653600000000 ] - [ -0.0005464300000000, 0.0067522500000000, 0.0008800300000000 ] - [ 0.0037787600000000, -0.0007587200000000, 0.0013781800000000 ] - [ 0.0004867100000000, -0.0002207000000000, 0.0009164700000000 ] - [ 0.0001725900000000, 0.0011564800000000, -0.0002437100000000 ] - [ -0.0012868600000000, -0.0198015700000000, 0.0078611300000000 ] - [ -0.0002504500000000, 0.0001879700000000, -0.0005589900000000 ] - [ -0.0004205400000000, 0.0000523900000000, -0.0005486400000000 ] - [ 0.0006363600000000, 0.0002946300000000, 0.0000402200000000 ] - [ 0.0002848800000000, 0.0005311900000000, 0.0001812600000000 ] - [ 0.0002521700000000, 0.0002842100000000, 0.0002017600000000 ] - [ -0.0000572900000000, 0.0001979800000000, -0.0000937000000000 ] - [ -0.0044604000000000, -0.0018096400000000, -0.0004448200000000 ] - [ -0.0002842900000000, 0.0002260800000000, 0.0003580200000000 ] - [ 0.0001797600000000, 0.0000480700000000, -0.0003076900000000 ] - [ -0.0012606300000000, 0.0036525300000000, 0.0028177000000000 ] - [ 0.0002792300000000, 0.0060161900000000, -0.0007167800000000 ] - [ 0.0003170000000000, 0.0002828400000000, -0.0000112700000000 ] - [ -0.0003779100000000, -0.0002874700000000, -0.0001601300000000 ] - [ -0.0004889300000000, -0.0002742100000000, -0.0007305400000000 ] - [ -0.0010344600000000, -0.0012370100000000, 0.0001995900000000 ] - [ -0.0020255200000000, 0.0036023000000000, -0.0048625100000000 ] - [ -0.0003194900000000, 0.0010108000000000, 0.0004704000000000 ] - [ 0.0001903700000000, -0.0006827300000000, 0.0003246700000000 ] - [ 0.0002516300000000, -0.0002678400000000, -0.0001932200000000 ] - [ 0.0012355000000000, -0.0056501400000000, -0.0022984500000000 ] - [ -0.0005464600000000, -0.0004006900000000, -0.0006874700000000 ] - [ 0.0021590700000000, 0.0012780300000000, -0.0011125500000000 ] - [ 0.0000441400000000, 0.0001872900000000, 0.0000143500000000 ] - [ 0.0012317400000000, 0.0028547000000000, 0.0044412500000000 ] - [ -0.0002487900000000, -0.0002708200000000, 0.0000157300000000 ] - [ -0.0000914300000000, 0.0002825700000000, 0.0001749900000000 ] - [ -0.0003613700000000, 0.0006070000000000, 0.0008818400000000 ] - [ -0.0060559500000000, -0.0226565000000000, -0.0087308300000000 ] - [ 0.0006028100000000, -0.0005793300000000, 0.0008014600000000 ] - [ 0.0000189200000000, 0.0011888400000000, -0.0008388500000000 ] - [ 0.0024807900000000, 0.0014767700000000, 0.0014432900000000 ] - [ -0.0001249400000000, -0.0002903700000000, 0.0001788500000000 ] - [ -0.0022938900000000, 0.0021628100000000, -0.0040312400000000 ] - [ 0.0003937400000000, 0.0002085900000000, -0.0000568800000000 ] - [ -0.0110715600000000, -0.0099863700000000, -0.0116184700000000 ] - [ 0.0012665000000000, -0.0001172200000000, -0.0023270900000000 ] - [ -0.0001900200000000, 0.0000060400000000, 0.0000856400000000 ] - [ -0.0003169800000000, 0.0001072800000000, 0.0000468200000000 ] - [ -0.0000237200000000, 0.0006814200000000, -0.0002660800000000 ] - [ 0.0000933800000000, 0.0003563700000000, 0.0003640900000000 ] - [ 0.0003055100000000, 0.0004072700000000, 0.0000261300000000 ] - [ -0.0029326300000000, 0.0024666300000000, 0.0008055400000000 ] - [ 0.0004391400000000, -0.0002218500000000, 0.0011942100000000 ] - [ 0.0000767200000000, -0.0003946000000000, 0.0000906700000000 ] - [ 0.0019131400000000, 0.0024153700000000, 0.0042004200000000 ] - [ -0.0011799800000000, 0.0004520500000000, 0.0000768600000000 ] - [ 0.0001939900000000, 0.0006120900000000, -0.0002590000000000 ] - [ -0.0003507200000000, 0.0006184200000000, -0.0011069800000000 ] - [ -0.0009511300000000, 0.0001637500000000, 0.0002369200000000 ] - [ 0.0003373200000000, -0.0035612600000000, 0.0026811300000000 ] - [ 0.0018433300000000, 0.0044288200000000, -0.0055741400000000 ] - [ 0.0006537100000000, 0.0000190700000000, -0.0004109100000000 ]- atom: 2 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ 0.0009662900000000, 0.0003313100000000, 0.0015973300000000 ] - [ 0.0070365100000000, -0.0124115000000000, -0.0472563700000000 ] - [ -0.0006108300000000, -0.0004667500000000, 0.0009344700000000 ] - [ -0.0005696600000000, -0.0001342200000000, 0.0023068400000000 ] - [ 0.0002019600000000, 0.0003397100000000, 0.0018855800000000 ] - [ -0.0014524900000000, 0.0000043900000000, -0.0031525100000000 ] - [ -0.0007393900000000, -0.0012277800000000, -0.0032605600000000 ] - [ 0.0003908400000000, -0.0006453700000000, -0.0110173900000000 ] - [ 0.0000796600000000, 0.0008577300000000, 0.0016663300000000 ] - [ 0.0001820900000000, -0.0011754600000000, 0.0029959300000000 ] - [ -0.0001692100000000, 0.0006063400000000, 0.0021220400000000 ] - [ 0.0004162400000000, 0.0005195000000000, 0.0019624000000000 ] - [ 0.0007269600000000, -0.0006230900000000, 0.0006946900000000 ] - [ -0.0001169400000000, -0.0011423600000000, -0.0029508300000000 ] - [ -0.0002474500000000, -0.0011720400000000, 0.0012565500000000 ] - [ -0.0001132300000000, 0.0009387500000000, -0.0042790800000000 ] - [ 0.0000544300000000, 0.0002302200000000, 0.0016814800000000 ] - [ -0.0000537100000000, 0.0001531000000000, 0.0016681900000000 ] - [ 0.0004720800000000, 0.0011051800000000, 0.0007645600000000 ] - [ 0.0001200400000000, 0.0001132700000000, 0.0017864400000000 ] - [ -0.0001012100000000, -0.0002490300000000, 0.0009731700000000 ] - [ -0.0015654100000000, 0.0021032200000000, 0.0020046000000000 ] - [ 0.0007952200000000, -0.0008399400000000, 0.0013577700000000 ] - [ -0.0005678100000000, -0.0001344600000000, 0.0007075500000000 ] - [ -0.0002307400000000, 0.0001332100000000, 0.0018755000000000 ] - [ -0.0014358800000000, -0.0001739000000000, 0.0008939500000000 ] - [ -0.0046884700000000, 0.0021848800000000, -0.0059472500000000 ] - [ -0.0034144300000000, -0.0039381700000000, -0.0115776100000000 ] - [ 0.0006086200000000, 0.0017915400000000, 0.0019366500000000 ] - [ -0.0006267200000000, 0.0001162000000000, 0.0006915900000000 ] - [ -0.0010816700000000, 0.0013714300000000, 0.0014376700000000 ] - [ -0.0000307100000000, 0.0007382200000000, 0.0014742900000000 ] - [ 0.0027172900000000, 0.0078319400000000, 0.0032464100000000 ] - [ -0.0011246100000000, 0.0002625500000000, 0.0021725500000000 ] - [ 0.0000105900000000, 0.0001637800000000, 0.0031956400000000 ] - [ -0.0019432300000000, -0.0001416400000000, -0.0013839100000000 ] - [ -0.0013274500000000, 0.0010371600000000, -0.0022412900000000 ] - [ 0.0082519300000000, 0.0020591700000000, 0.0083153600000000 ] - [ -0.0005217500000000, 0.0004561900000000, 0.0019733200000000 ] - [ 0.0108644200000000, -0.0022591000000000, 0.0103587500000000 ] - [ 0.0003288100000000, -0.0007827000000000, 0.0034837800000000 ] - [ -0.0065526400000000, -0.0111132200000000, 0.0058086700000000 ] - [ -0.0007233000000000, -0.0011684600000000, 0.0014579100000000 ] - [ 0.0097682200000000, -0.0029518100000000, -0.0037174400000000 ] - [ 0.0010161800000000, -0.0003932000000000, 0.0023543500000000 ] - [ -0.0001307200000000, -0.0003211800000000, 0.0020729500000000 ] - [ 0.0000646500000000, 0.0003440700000000, 0.0023910000000000 ] - [ -0.0077308400000000, 0.0208563500000000, 0.0145437200000000 ] - [ -0.0002169700000000, 0.0004329500000000, -0.0015016700000000 ] - [ 0.0007577600000000, -0.0004671700000000, -0.0013937300000000 ] - [ -0.0001837600000000, -0.0023695800000000, -0.0032581700000000 ] - [ 0.0003627300000000, -0.0002080900000000, -0.0019419200000000 ] - [ 0.0001446700000000, 0.0000018100000000, 0.0010967000000000 ] - [ 0.0006845200000000, 0.0006559900000000, -0.0014026400000000 ] - [ 0.0002969000000000, -0.0006972800000000, -0.0014403800000000 ] - [ -0.0000529100000000, 0.0006500800000000, -0.0009821900000000 ] - [ -0.0015250300000000, -0.0007264300000000, -0.0024672100000000 ] - [ -0.0069863900000000, -0.0015100600000000, 0.0054622900000000 ] - [ 0.0028037700000000, 0.0022808700000000, -0.0010128600000000 ] - [ -0.0003270100000000, -0.0000901200000000, -0.0014682800000000 ] - [ 0.0000836200000000, -0.0000837400000000, -0.0009212600000000 ] - [ 0.0078886600000000, 0.0015677600000000, -0.0032201100000000 ] - [ -0.0002648000000000, 0.0006309100000000, -0.0015149000000000 ] - [ -0.0017697700000000, 0.0002679900000000, 0.0028894600000000 ] - [ -0.0027883000000000, 0.0006166000000000, 0.0000094300000000 ] - [ 0.0000043000000000, -0.0000704200000000, -0.0003907400000000 ] - [ 0.0005563400000000, -0.0001794900000000, -0.0009844300000000 ] - [ -0.0022673500000000, -0.0082219000000000, 0.0093293000000000 ] - [ -0.0006185600000000, 0.0001724000000000, -0.0019563100000000 ] - [ -0.0008865400000000, -0.0000016300000000, -0.0021814200000000 ] - [ 0.0006462800000000, 0.0004596100000000, -0.0013394700000000 ] - [ 0.0001885600000000, -0.0005636200000000, -0.0009649100000000 ] - [ 0.0007759100000000, 0.0002228900000000, -0.0008722200000000 ] - [ -0.0001796000000000, 0.0002793300000000, -0.0013699900000000 ] - [ -0.0045040500000000, -0.0005269000000000, 0.0020828400000000 ] - [ 0.0007432800000000, -0.0001126500000000, -0.0008631600000000 ] - [ -0.0002093000000000, -0.0000863300000000, -0.0013772200000000 ] - [ -0.0001765400000000, -0.0011728100000000, -0.0006953500000000 ] - [ -0.0013361300000000, -0.0024022000000000, 0.0032354100000000 ] - [ 0.0003074600000000, 0.0007856100000000, -0.0013533600000000 ] - [ -0.0000035700000000, -0.0002888300000000, -0.0010864900000000 ] - [ -0.0005144100000000, -0.0002340900000000, -0.0023513000000000 ] - [ 0.0032315200000000, -0.0000036900000000, 0.0035129500000000 ] - [ -0.0018232400000000, 0.0017261800000000, -0.0033027100000000 ] - [ -0.0002450000000000, 0.0006090600000000, -0.0007394400000000 ] - [ 0.0005870100000000, -0.0005688200000000, -0.0017386300000000 ] - [ 0.0008889000000000, -0.0001429300000000, -0.0009985500000000 ] - [ -0.0087229200000000, -0.0041237400000000, 0.0080556400000000 ] - [ 0.0001124200000000, 0.0005771800000000, 0.0001576100000000 ] - [ 0.0013933800000000, 0.0033878100000000, 0.0023186000000000 ] - [ 0.0002063000000000, -0.0001100200000000, -0.0010265200000000 ] - [ -0.0010062800000000, -0.0015555000000000, -0.0016181200000000 ] - [ 0.0000520600000000, -0.0002696700000000, -0.0014398700000000 ] - [ -0.0000466600000000, 0.0002448400000000, -0.0010107600000000 ] - [ 0.0007634700000000, -0.0006288700000000, 0.0014585900000000 ] - [ 0.0012310200000000, 0.0061780500000000, 0.0073731500000000 ] - [ 0.0005342500000000, -0.0003839400000000, 0.0005135100000000 ] - [ 0.0007808600000000, -0.0005160400000000, 0.0002128900000000 ] - [ -0.0005486800000000, -0.0002741300000000, 0.0025585500000000 ] - [ 0.0000345600000000, -0.0004699600000000, -0.0008900100000000 ] - [ -0.0005984000000000, -0.0005179000000000, 0.0020509100000000 ] - [ 0.0003810500000000, -0.0007126900000000, 0.0001530200000000 ] - [ 0.0055173800000000, 0.0075287100000000, 0.0115661500000000 ] - [ 0.0001030700000000, 0.0017020800000000, -0.0025125800000000 ] - [ -0.0000833700000000, -0.0003024400000000, -0.0010667100000000 ] - [ -0.0001897900000000, 0.0006299000000000, -0.0008597900000000 ] - [ 0.0009255800000000, -0.0006047300000000, 0.0024003900000000 ] - [ 0.0001089800000000, 0.0005837000000000, -0.0005034400000000 ] - [ 0.0001243100000000, 0.0005133200000000, -0.0011398700000000 ] - [ -0.0004299000000000, -0.0061917500000000, 0.0026320400000000 ] - [ -0.0002819200000000, -0.0001945600000000, -0.0007634800000000 ] - [ 0.0002611700000000, 0.0002285400000000, -0.0011772500000000 ] - [ -0.0011097900000000, -0.0014385000000000, -0.0015429300000000 ] - [ 0.0036838800000000, -0.0031602200000000, -0.0029263500000000 ] - [ 0.0000887600000000, 0.0012220100000000, -0.0016894200000000 ] - [ -0.0004115900000000, 0.0006814300000000, -0.0013788700000000 ] - [ -0.0006860600000000, -0.0002319800000000, -0.0006210500000000 ] - [ -0.0021457700000000, 0.0005577700000000, -0.0014832700000000 ] - [ -0.0030955600000000, 0.0036137100000000, -0.0004836500000000 ] - [ 0.0017787300000000, 0.0002223000000000, 0.0008897800000000 ]- atom: 2 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ -0.0011120500000000, -0.0008204300000000, -0.0016735300000000 ] - [ -0.0085618100000000, 0.0127190400000000, 0.0480546000000000 ] - [ 0.0011301900000000, -0.0004880700000000, -0.0015103600000000 ] - [ -0.0001449000000000, -0.0007072100000000, -0.0028898900000000 ] - [ 0.0000230700000000, 0.0003726100000000, -0.0013835600000000 ] - [ 0.0011757300000000, -0.0011980000000000, 0.0041418000000000 ] - [ 0.0002103600000000, 0.0002612600000000, 0.0038190500000000 ] - [ -0.0002428900000000, 0.0001941300000000, 0.0110848700000000 ] - [ -0.0003025100000000, 0.0007813300000000, -0.0015067600000000 ] - [ -0.0003347200000000, 0.0008778900000000, -0.0033219100000000 ] - [ -0.0001187300000000, 0.0005834800000000, -0.0011186500000000 ] - [ 0.0003102300000000, 0.0003246000000000, -0.0013675100000000 ] - [ -0.0009397200000000, 0.0013361900000000, -0.0011757900000000 ] - [ -0.0001189300000000, -0.0005045800000000, 0.0031040500000000 ] - [ 0.0005003400000000, 0.0005308000000000, -0.0018930300000000 ] - [ 0.0008330300000000, -0.0017884600000000, 0.0048827200000000 ] - [ 0.0000904500000000, 0.0002684900000000, -0.0016131100000000 ] - [ -0.0001849000000000, 0.0004773500000000, -0.0010341900000000 ] - [ -0.0006170700000000, -0.0006026300000000, -0.0008400700000000 ] - [ 0.0000207100000000, -0.0004167000000000, -0.0014805100000000 ] - [ 0.0003912500000000, -0.0009362200000000, -0.0019708900000000 ] - [ 0.0017852200000000, -0.0036954500000000, -0.0021416000000000 ] - [ -0.0010236000000000, 0.0001208600000000, -0.0018721800000000 ] - [ 0.0004229400000000, 0.0004298600000000, -0.0010093500000000 ] - [ -0.0002979700000000, 0.0008250500000000, -0.0012911300000000 ] - [ 0.0017328100000000, 0.0013739400000000, -0.0019064100000000 ] - [ 0.0048162100000000, -0.0018552700000000, 0.0061845000000000 ] - [ 0.0031408700000000, 0.0033253400000000, 0.0122497200000000 ] - [ -0.0000878000000000, -0.0008408300000000, -0.0025172800000000 ] - [ 0.0008717100000000, 0.0005145400000000, -0.0013245300000000 ] - [ 0.0003631000000000, -0.0005278400000000, -0.0020317800000000 ] - [ 0.0002530400000000, 0.0009040100000000, -0.0016377600000000 ] - [ -0.0018276300000000, -0.0087026100000000, -0.0026540000000000 ] - [ -0.0008145700000000, 0.0003839400000000, -0.0023330900000000 ] - [ -0.0001911400000000, 0.0001538000000000, -0.0021999600000000 ] - [ 0.0017740800000000, -0.0001731600000000, 0.0023856600000000 ] - [ -0.0003455900000000, 0.0008251100000000, 0.0005977600000000 ] - [ -0.0063147900000000, -0.0014649600000000, -0.0080685400000000 ] - [ -0.0003042500000000, 0.0003487000000000, -0.0026120900000000 ] - [ -0.0116792800000000, 0.0013972000000000, -0.0110204800000000 ] - [ 0.0013210600000000, -0.0010783400000000, -0.0018516200000000 ] - [ 0.0081509100000000, 0.0127866500000000, -0.0041017100000000 ] - [ -0.0009251900000000, -0.0006915200000000, -0.0030899600000000 ] - [ -0.0117775300000000, 0.0022439400000000, 0.0036653500000000 ] - [ 0.0009169300000000, -0.0002569700000000, -0.0021969100000000 ] - [ 0.0003171000000000, 0.0000063000000000, -0.0030646300000000 ] - [ 0.0007657300000000, 0.0004629600000000, -0.0017455800000000 ] - [ 0.0080570200000000, -0.0206682500000000, -0.0156311900000000 ] - [ -0.0003257600000000, -0.0009083800000000, 0.0015099300000000 ] - [ 0.0004418200000000, 0.0003647600000000, 0.0008033800000000 ] - [ 0.0009108200000000, 0.0025611100000000, 0.0043677700000000 ] - [ -0.0001609600000000, -0.0002977800000000, 0.0019579100000000 ] - [ -0.0008823000000000, -0.0001636400000000, -0.0021946100000000 ] - [ -0.0005258500000000, -0.0001975400000000, 0.0011448900000000 ] - [ 0.0001769500000000, 0.0005387000000000, 0.0012496800000000 ] - [ 0.0004270900000000, 0.0006577400000000, 0.0019018200000000 ] - [ 0.0014546800000000, 0.0001535400000000, 0.0022444900000000 ] - [ 0.0084623300000000, 0.0014341200000000, -0.0059734100000000 ] - [ -0.0025773300000000, -0.0017473100000000, 0.0010102700000000 ] - [ -0.0006760200000000, -0.0005416800000000, 0.0014388600000000 ] - [ 0.0006385700000000, -0.0000836400000000, 0.0020092800000000 ] - [ -0.0083169900000000, -0.0032614100000000, 0.0041044100000000 ] - [ -0.0004309800000000, -0.0005802700000000, 0.0011614800000000 ] - [ 0.0019646700000000, 0.0002780100000000, -0.0030233000000000 ] - [ 0.0022597100000000, -0.0000551300000000, -0.0001743100000000 ] - [ 0.0008098000000000, -0.0002987700000000, 0.0021320700000000 ] - [ -0.0004274300000000, 0.0006775600000000, 0.0012566500000000 ] - [ 0.0027815300000000, 0.0065074100000000, -0.0081324700000000 ] - [ 0.0001734600000000, 0.0002116300000000, 0.0008814200000000 ] - [ 0.0001632800000000, 0.0001698500000000, 0.0010816300000000 ] - [ 0.0003520400000000, 0.0001708100000000, 0.0013622900000000 ] - [ 0.0005101900000000, 0.0006106800000000, 0.0013104600000000 ] - [ -0.0002651500000000, 0.0003346900000000, 0.0010219200000000 ] - [ 0.0000483900000000, 0.0002177200000000, 0.0010945400000000 ] - [ 0.0040616900000000, 0.0011198200000000, -0.0019627600000000 ] - [ -0.0005828100000000, -0.0003485900000000, 0.0005996100000000 ] - [ 0.0000528300000000, 0.0004954100000000, 0.0004639100000000 ] - [ 0.0006060500000000, 0.0017702100000000, 0.0005853300000000 ] - [ 0.0013992600000000, 0.0018506700000000, -0.0030186600000000 ] - [ 0.0002303600000000, -0.0003108200000000, 0.0013436700000000 ] - [ -0.0005021600000000, -0.0002686200000000, 0.0009316300000000 ] - [ -0.0003011800000000, -0.0001328800000000, 0.0006062600000000 ] - [ -0.0033825700000000, -0.0004541700000000, -0.0032433100000000 ] - [ 0.0016719600000000, -0.0021471500000000, 0.0024155400000000 ] - [ -0.0002644400000000, 0.0011332300000000, 0.0016566800000000 ] - [ -0.0004542200000000, 0.0000667000000000, 0.0019931500000000 ] - [ -0.0004328700000000, -0.0004538900000000, 0.0008752600000000 ] - [ 0.0103423200000000, 0.0034813400000000, -0.0085043400000000 ] - [ -0.0006547200000000, -0.0001023100000000, -0.0001543600000000 ] - [ -0.0020927500000000, -0.0034056100000000, -0.0026540300000000 ] - [ -0.0001469200000000, 0.0006870300000000, 0.0012475300000000 ] - [ 0.0008115600000000, 0.0010121000000000, 0.0017138700000000 ] - [ -0.0002484200000000, -0.0002372000000000, 0.0014226300000000 ] - [ -0.0001115900000000, 0.0002173800000000, 0.0012685600000000 ] - [ -0.0009483400000000, 0.0011246200000000, -0.0014684600000000 ] - [ -0.0018425700000000, -0.0067364500000000, -0.0085315300000000 ] - [ 0.0001717500000000, 0.0003274900000000, -0.0001604300000000 ] - [ -0.0003078800000000, 0.0006730500000000, -0.0004055800000000 ] - [ 0.0013831000000000, 0.0006467800000000, -0.0008096900000000 ] - [ -0.0004884400000000, -0.0001267000000000, 0.0010077500000000 ] - [ 0.0010499600000000, 0.0009089500000000, -0.0009945600000000 ] - [ 0.0001376300000000, -0.0010255200000000, -0.0010708400000000 ] - [ -0.0052155900000000, -0.0077967000000000, -0.0106582100000000 ] - [ -0.0009335000000000, -0.0013110600000000, 0.0007504200000000 ] - [ -0.0003909300000000, 0.0004590700000000, 0.0012528900000000 ] - [ 0.0000000800000000, -0.0000998100000000, 0.0009874500000000 ] - [ -0.0010529600000000, 0.0001091800000000, -0.0026710700000000 ] - [ 0.0000470100000000, -0.0001730100000000, 0.0014089900000000 ] - [ -0.0001833900000000, 0.0000659300000000, 0.0009099200000000 ] - [ -0.0000349700000000, 0.0060546500000000, -0.0024480100000000 ] - [ 0.0007330300000000, -0.0001912200000000, 0.0018406600000000 ] - [ -0.0000664600000000, -0.0007593900000000, 0.0010452100000000 ] - [ 0.0007525500000000, 0.0001521000000000, 0.0006601300000000 ] - [ -0.0046837900000000, 0.0037864200000000, 0.0028931600000000 ] - [ 0.0004225700000000, 0.0005160600000000, 0.0007688300000000 ] - [ 0.0000363500000000, 0.0006259600000000, 0.0004515400000000 ] - [ -0.0005063200000000, 0.0003367700000000, 0.0012097700000000 ] - [ 0.0009603600000000, -0.0006487500000000, 0.0020586600000000 ] - [ 0.0036493100000000, -0.0041997500000000, 0.0006193000000000 ] - [ -0.0007830500000000, -0.0008559500000000, -0.0008680100000000 ]- atom: 3 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ 0.0130140000000000, -0.0068558300000000, 0.0013874200000000 ] - [ 0.0010891800000000, -0.0003177600000000, -0.0002332000000000 ] - [ -0.1241609500000000, -0.0096005800000000, 0.0072053000000000 ] - [ 0.0129597300000000, -0.0041287300000000, 0.0014306900000000 ] - [ -0.0017685800000000, 0.0013161200000000, -0.0003221100000000 ] - [ -0.0003282100000000, -0.0006194400000000, 0.0005727300000000 ] - [ -0.0009226800000000, -0.0012375400000000, 0.0000949500000000 ] - [ 0.0006227000000000, -0.0003414900000000, -0.0002009500000000 ] - [ 0.0000736400000000, 0.0007052700000000, 0.0002296400000000 ] - [ 0.0000308200000000, -0.0002028300000000, -0.0001927200000000 ] - [ 0.0034714200000000, 0.0001011500000000, 0.0000888300000000 ] - [ 0.0008849900000000, 0.0006017000000000, 0.0019053100000000 ] - [ -0.0002101700000000, 0.0002873900000000, -0.0002553500000000 ] - [ -0.0028234100000000, -0.0004355000000000, 0.0011424600000000 ] - [ 0.0029252300000000, -0.0010312300000000, -0.0001720900000000 ] - [ 0.0007413100000000, -0.0011334800000000, 0.0008998300000000 ] - [ -0.0022331300000000, -0.0003611900000000, -0.0008213900000000 ] - [ 0.0004099100000000, 0.0002743100000000, 0.0012135700000000 ] - [ -0.0001703100000000, 0.0003222800000000, -0.0000354800000000 ] - [ 0.0007166500000000, 0.0001398300000000, -0.0002395100000000 ] - [ -0.0024247600000000, 0.0093511500000000, 0.0066712500000000 ] - [ 0.0013188400000000, 0.0082827200000000, -0.0103864000000000 ] - [ 0.0025796600000000, 0.0001135300000000, 0.0005926200000000 ] - [ -0.0071805000000000, -0.0016681800000000, -0.0010641000000000 ] - [ 0.0007569400000000, 0.0003010600000000, -0.0001191700000000 ] - [ 0.0003306400000000, 0.0006110000000000, -0.0004943900000000 ] - [ -0.0015698600000000, 0.0011648900000000, -0.0008576200000000 ] - [ 0.0004025700000000, 0.0001052600000000, 0.0018396400000000 ] - [ 0.0003705600000000, 0.0005342100000000, -0.0003371500000000 ] - [ 0.0000814200000000, 0.0002391900000000, -0.0003117100000000 ] - [ -0.0004026600000000, 0.0004557600000000, -0.0003056900000000 ] - [ 0.0000962000000000, 0.0009141200000000, -0.0001719500000000 ] - [ 0.0051063600000000, -0.0009311500000000, 0.0006252400000000 ] - [ -0.0042908400000000, -0.0018917300000000, -0.0034320300000000 ] - [ 0.0042977200000000, 0.0010719200000000, 0.0009399200000000 ] - [ -0.0004279900000000, -0.0001555500000000, 0.0006843900000000 ] - [ -0.0036142500000000, -0.0067480100000000, 0.0076652500000000 ] - [ 0.0008475500000000, 0.0003023400000000, -0.0002353100000000 ] - [ -0.0009209400000000, 0.0004672900000000, -0.0003525900000000 ] - [ 0.0044207400000000, 0.0005983400000000, 0.0000975800000000 ] - [ 0.0009575800000000, -0.0008163900000000, 0.0003096500000000 ] - [ 0.0023998400000000, -0.0078122100000000, -0.0103599000000000 ] - [ -0.0003850900000000, -0.0009593600000000, -0.0006251600000000 ] - [ -0.0008823100000000, -0.0000563100000000, -0.0004258600000000 ] - [ 0.0041819900000000, 0.0220674400000000, -0.0171752900000000 ] - [ 0.0025292600000000, -0.0037285400000000, 0.0105767100000000 ] - [ 0.0001230000000000, 0.0004692900000000, 0.0005797600000000 ] - [ 0.0002303900000000, 0.0002428400000000, -0.0003749000000000 ] - [ -0.0020515300000000, -0.0005226000000000, -0.0000296900000000 ] - [ 0.0009974900000000, -0.0004587500000000, 0.0001809800000000 ] - [ 0.0002746100000000, 0.0000717800000000, 0.0005365200000000 ] - [ -0.0001135600000000, -0.0002500000000000, 0.0001290400000000 ] - [ -0.0001707700000000, -0.0001079600000000, -0.0006752100000000 ] - [ 0.0000358900000000, 0.0002468800000000, -0.0001278600000000 ] - [ -0.0039350100000000, -0.0001833800000000, -0.0005674700000000 ] - [ 0.0007816800000000, 0.0007471200000000, 0.0009372800000000 ] - [ -0.0041617800000000, -0.0005066800000000, -0.0005770800000000 ] - [ 0.0004236400000000, -0.0003691700000000, 0.0002859600000000 ] - [ 0.0072185000000000, 0.0003457800000000, -0.0003619600000000 ] - [ -0.0026802800000000, 0.0010366100000000, -0.0026203900000000 ] - [ 0.0047416500000000, -0.0040229400000000, 0.0023179100000000 ] - [ -0.0001662900000000, 0.0006359900000000, 0.0046695700000000 ] - [ -0.0005532500000000, -0.0000644400000000, 0.0002554300000000 ] - [ 0.0000672400000000, 0.0003568500000000, 0.0001082000000000 ] - [ -0.0001132900000000, 0.0002947500000000, -0.0000666500000000 ] - [ 0.0001745000000000, -0.0002396700000000, 0.0004993200000000 ] - [ 0.0000133800000000, 0.0002308100000000, 0.0001671400000000 ] - [ -0.0014896500000000, -0.0006582400000000, 0.0003020600000000 ] - [ 0.0035110000000000, -0.0026324000000000, 0.0040524300000000 ] - [ -0.0018896600000000, -0.0001026300000000, -0.0011123700000000 ] - [ -0.0021796100000000, -0.0005818200000000, -0.0018956300000000 ] - [ 0.0002279700000000, -0.0000185900000000, 0.0001194800000000 ] - [ 0.0035158600000000, 0.0000860100000000, -0.0007691300000000 ] - [ -0.0009704300000000, 0.0004190400000000, -0.0004271400000000 ] - [ -0.0021918100000000, -0.0004215500000000, -0.0012467900000000 ] - [ 0.0016368400000000, -0.0040923700000000, 0.0007358400000000 ] - [ 0.0000460300000000, 0.0002983400000000, -0.0003848300000000 ] - [ -0.0030639000000000, -0.0005134900000000, 0.0014925300000000 ] - [ -0.0011958200000000, -0.0002484400000000, 0.0003073800000000 ] - [ 0.0005705900000000, 0.0015947900000000, -0.0027054700000000 ] - [ -0.0059883100000000, -0.0035187400000000, 0.0034019600000000 ] - [ -0.0003414600000000, -0.0001806700000000, -0.0007291200000000 ] - [ 0.0011334500000000, -0.0006516000000000, -0.0000398100000000 ] - [ -0.0021056100000000, -0.0004675200000000, -0.0006134500000000 ] - [ -0.0003482200000000, 0.0008268100000000, 0.0007006000000000 ] - [ 0.0474938600000000, 0.0211787600000000, 0.0058919000000000 ] - [ 0.0004987900000000, -0.0002783600000000, -0.0001365300000000 ] - [ 0.0000973100000000, -0.0003048300000000, -0.0001550200000000 ] - [ -0.0001840800000000, 0.0002027500000000, -0.0000629700000000 ] - [ 0.0003322600000000, 0.0011738000000000, 0.0009158900000000 ] - [ 0.0004293100000000, 0.0000370000000000, -0.0003670600000000 ] - [ -0.0000952200000000, -0.0002557600000000, 0.0001327900000000 ] - [ -0.0003834500000000, -0.0002523500000000, 0.0000655800000000 ] - [ -0.0009833100000000, 0.0001136400000000, 0.0002989300000000 ] - [ 0.0043001400000000, 0.0006679600000000, -0.0016997400000000 ] - [ -0.0003007300000000, -0.0001420700000000, -0.0002871600000000 ] - [ 0.0139013300000000, -0.0120153200000000, 0.0070653700000000 ] - [ 0.0003359000000000, 0.0001030300000000, -0.0001521200000000 ] - [ -0.0005890800000000, 0.0014748400000000, -0.0018950900000000 ] - [ -0.0001224100000000, -0.0003601600000000, -0.0001307700000000 ] - [ 0.0003205100000000, 0.0001378400000000, 0.0006941900000000 ] - [ 0.0012941300000000, 0.0031906600000000, -0.0017151500000000 ] - [ -0.0011609300000000, -0.0000350300000000, 0.0003830400000000 ] - [ -0.0021995000000000, 0.0029248900000000, 0.0016725000000000 ] - [ 0.0007312900000000, -0.0001415600000000, -0.0028466900000000 ] - [ 0.0342720100000000, -0.0022993300000000, -0.0126485400000000 ] - [ 0.0006193000000000, -0.0000283900000000, -0.0003509400000000 ] - [ 0.0003846400000000, 0.0003237400000000, 0.0002131300000000 ] - [ 0.0000821100000000, 0.0002344500000000, -0.0000766000000000 ] - [ -0.0003331100000000, -0.0001048600000000, 0.0000926400000000 ] - [ -0.0003734000000000, 0.0015361800000000, 0.0024637900000000 ] - [ 0.0004500200000000, 0.0006045800000000, 0.0012445100000000 ] - [ -0.0024993400000000, 0.0000160000000000, -0.0015712800000000 ] - [ -0.0005202000000000, 0.0003098100000000, -0.0000262100000000 ] - [ 0.0001586700000000, 0.0009035800000000, -0.0005245700000000 ] - [ -0.0001731600000000, 0.0006367600000000, -0.0005883100000000 ] - [ 0.0013594100000000, -0.0052286900000000, 0.0003880600000000 ] - [ -0.0005972400000000, -0.0000407600000000, 0.0003614300000000 ] - [ -0.0000296600000000, -0.0003368200000000, 0.0002027100000000 ] - [ 0.0005695100000000, -0.0003312200000000, -0.0003520300000000 ]- atom: 3 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ -0.0132853400000000, 0.0064208700000000, -0.0014409900000000 ] - [ -0.0008722300000000, -0.0003921500000000, 0.0007165800000000 ] - [ 0.1245895200000000, 0.0064960300000000, -0.0094771300000000 ] - [ -0.0135814800000000, 0.0033041400000000, -0.0020031700000000 ] - [ 0.0020017900000000, -0.0006059000000000, 0.0008256300000000 ] - [ 0.0000372500000000, -0.0005727100000000, 0.0004335500000000 ] - [ 0.0003845200000000, 0.0002804100000000, 0.0004884400000000 ] - [ -0.0004719600000000, -0.0001613900000000, 0.0002801500000000 ] - [ -0.0002969000000000, 0.0009328900000000, -0.0000684300000000 ] - [ -0.0001741600000000, -0.0000986200000000, -0.0001186400000000 ] - [ -0.0037605600000000, 0.0010885500000000, 0.0009175600000000 ] - [ -0.0001610800000000, 0.0002392500000000, -0.0013095700000000 ] - [ -0.0000081900000000, 0.0004247700000000, -0.0002295800000000 ] - [ 0.0026298300000000, -0.0012085700000000, -0.0009715800000000 ] - [ -0.0026891300000000, 0.0003850700000000, -0.0004562800000000 ] - [ -0.0000111000000000, 0.0002848300000000, -0.0003029200000000 ] - [ 0.0023837700000000, 0.0008609500000000, 0.0008895800000000 ] - [ -0.0006522600000000, 0.0003588300000000, -0.0005839800000000 ] - [ 0.0000162200000000, 0.0001770800000000, -0.0000436000000000 ] - [ -0.0005792400000000, -0.0004418200000000, 0.0005486500000000 ] - [ 0.0027061700000000, -0.0105042700000000, -0.0076604400000000 ] - [ -0.0010855800000000, -0.0098658100000000, 0.0101905400000000 ] - [ -0.0028080000000000, -0.0008311000000000, -0.0010994300000000 ] - [ 0.0070486200000000, 0.0020236400000000, 0.0007486200000000 ] - [ -0.0012903500000000, 0.0006566800000000, 0.0007077700000000 ] - [ -0.0000393600000000, 0.0005806800000000, -0.0005071800000000 ] - [ 0.0017060400000000, -0.0008623400000000, 0.0011736800000000 ] - [ -0.0006338400000000, -0.0007267500000000, -0.0012130300000000 ] - [ 0.0001649300000000, 0.0004230800000000, -0.0002415300000000 ] - [ 0.0001570900000000, 0.0003933300000000, -0.0003189100000000 ] - [ -0.0003235200000000, 0.0003876200000000, -0.0002864400000000 ] - [ 0.0001255900000000, 0.0007266800000000, 0.0000133800000000 ] - [ -0.0042795800000000, 0.0001274800000000, 0.0000142700000000 ] - [ 0.0023714400000000, 0.0025466400000000, 0.0032901500000000 ] - [ -0.0044886500000000, -0.0007575200000000, 0.0000596000000000 ] - [ 0.0002403000000000, -0.0001600800000000, 0.0003181000000000 ] - [ 0.0019424200000000, 0.0086011500000000, -0.0092857200000000 ] - [ 0.0010884900000000, 0.0003455300000000, 0.0003890000000000 ] - [ 0.0000930800000000, 0.0003382300000000, -0.0002881500000000 ] - [ -0.0052573900000000, -0.0014161200000000, -0.0007560400000000 ] - [ 0.0006880100000000, -0.0010460300000000, 0.0013293600000000 ] - [ -0.0008492200000000, 0.0096332500000000, 0.0119324000000000 ] - [ -0.0012621000000000, -0.0009030800000000, -0.0010082900000000 ] - [ -0.0010536900000000, -0.0005902100000000, 0.0002714000000000 ] - [ -0.0023127100000000, -0.0227952900000000, 0.0174491900000000 ] - [ -0.0024093000000000, 0.0033628300000000, -0.0115811100000000 ] - [ 0.0007060000000000, 0.0003382100000000, 0.0000641300000000 ] - [ -0.0000426300000000, 0.0000709700000000, -0.0006239400000000 ] - [ 0.0015179200000000, 0.0000516100000000, 0.0000309800000000 ] - [ 0.0002008900000000, 0.0003583100000000, -0.0007693900000000 ] - [ 0.0004455400000000, 0.0000964300000000, 0.0005560800000000 ] - [ 0.0003097300000000, -0.0002567500000000, -0.0001130800000000 ] - [ -0.0005507300000000, -0.0000593200000000, -0.0004209500000000 ] - [ 0.0001262000000000, 0.0002164400000000, -0.0001303500000000 ] - [ 0.0044195400000000, 0.0000223800000000, 0.0003777100000000 ] - [ -0.0004114100000000, 0.0005612100000000, -0.0000230800000000 ] - [ 0.0041100200000000, -0.0000684800000000, 0.0003619800000000 ] - [ 0.0007769200000000, 0.0004685200000000, -0.0008716500000000 ] - [ -0.0070700400000000, 0.0002796400000000, 0.0005169200000000 ] - [ 0.0016939200000000, -0.0016507500000000, 0.0025812100000000 ] - [ -0.0040854600000000, 0.0037832800000000, -0.0011595300000000 ] - [ -0.0003221500000000, -0.0023580300000000, -0.0037433300000000 ] - [ -0.0001415100000000, 0.0001206300000000, -0.0006120000000000 ] - [ 0.0001277300000000, 0.0001728600000000, -0.0002377200000000 ] - [ -0.0003980100000000, 0.0002619300000000, -0.0000848900000000 ] - [ 0.0006375900000000, -0.0001284800000000, 0.0012415600000000 ] - [ 0.0001182300000000, 0.0002653100000000, 0.0001086900000000 ] - [ 0.0018669900000000, -0.0006471500000000, 0.0006240800000000 ] - [ -0.0039629400000000, 0.0030286000000000, -0.0051300900000000 ] - [ 0.0011693000000000, 0.0002711600000000, 0.0000181500000000 ] - [ 0.0031783600000000, 0.0012079300000000, 0.0019178200000000 ] - [ 0.0004668400000000, 0.0000742800000000, 0.0002362700000000 ] - [ -0.0030068700000000, 0.0004701100000000, 0.0009213700000000 ] - [ 0.0008382100000000, 0.0000760800000000, 0.0001496600000000 ] - [ 0.0017386600000000, 0.0010276200000000, 0.0013854900000000 ] - [ -0.0014678500000000, 0.0036119800000000, -0.0009933200000000 ] - [ -0.0002022200000000, 0.0001145100000000, -0.0005191900000000 ] - [ 0.0035195600000000, 0.0011167700000000, -0.0016117400000000 ] - [ 0.0012515600000000, -0.0003270300000000, -0.0000844800000000 ] - [ -0.0000255900000000, -0.0011274200000000, 0.0027249800000000 ] - [ 0.0054571900000000, 0.0029494400000000, -0.0035469100000000 ] - [ -0.0004721700000000, -0.0001866600000000, -0.0010134300000000 ] - [ -0.0012987000000000, 0.0001894000000000, 0.0002920000000000 ] - [ 0.0019476400000000, 0.0000586600000000, -0.0002889900000000 ] - [ -0.0001615000000000, 0.0009117300000000, 0.0002161000000000 ] - [ -0.0446389800000000, -0.0199567600000000, -0.0052897200000000 ] - [ -0.0000456000000000, -0.0003210200000000, 0.0000172900000000 ] - [ 0.0004376700000000, -0.0001693500000000, 0.0001553800000000 ] - [ -0.0003515200000000, 0.0002699000000000, 0.0000644600000000 ] - [ -0.0010091900000000, -0.0012340100000000, -0.0012772500000000 ] - [ -0.0003728500000000, 0.0005385200000000, 0.0005873000000000 ] - [ -0.0001018800000000, -0.0002761600000000, -0.0000036000000000 ] - [ 0.0001885800000000, -0.0002539000000000, -0.0000830900000000 ] - [ 0.0008228200000000, 0.0003500300000000, -0.0000416900000000 ] - [ -0.0044849700000000, -0.0001627400000000, 0.0016787200000000 ] - [ -0.0001444600000000, -0.0002405500000000, -0.0007796400000000 ] - [ -0.0133340400000000, 0.0124972100000000, -0.0070624100000000 ] - [ 0.0001408600000000, 0.0000560900000000, -0.0000412600000000 ] - [ 0.0013897800000000, -0.0011035600000000, 0.0036140300000000 ] - [ -0.0003301600000000, -0.0002386700000000, 0.0002508100000000 ] - [ 0.0001230900000000, 0.0002455800000000, 0.0003733600000000 ] - [ -0.0007886200000000, -0.0049076900000000, 0.0007965000000000 ] - [ 0.0013159000000000, -0.0003814800000000, 0.0005231400000000 ] - [ 0.0014020900000000, -0.0025384600000000, -0.0033887700000000 ] - [ -0.0011974800000000, 0.0003103000000000, 0.0030446400000000 ] - [ -0.0366408000000000, 0.0025754800000000, 0.0141527100000000 ] - [ -0.0007506000000000, -0.0004671800000000, 0.0000710700000000 ] - [ -0.0002306100000000, 0.0000875700000000, 0.0006934300000000 ] - [ -0.0001400900000000, 0.0003425900000000, -0.0001438600000000 ] - [ -0.0001439000000000, -0.0000528200000000, 0.0001009800000000 ] - [ 0.0008173300000000, -0.0019292200000000, -0.0014027900000000 ] - [ -0.0002547500000000, -0.0011392600000000, -0.0013780900000000 ] - [ 0.0021180500000000, -0.0013246000000000, 0.0006623700000000 ] - [ -0.0004797700000000, 0.0003201800000000, 0.0000038000000000 ] - [ 0.0003504100000000, 0.0008340800000000, -0.0003926800000000 ] - [ -0.0002020600000000, 0.0006700700000000, -0.0003300900000000 ] - [ -0.0025710000000000, 0.0053537300000000, 0.0001946100000000 ] - [ -0.0006039500000000, -0.0000605300000000, 0.0002264800000000 ] - [ 0.0005393900000000, -0.0002201700000000, -0.0000509000000000 ] - [ 0.0004283800000000, -0.0002998600000000, 0.0003721900000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0041220100000000, -0.0031015700000000, 0.0030168500000000 ] - [ -0.0002767100000000, -0.0009473100000000, 0.0000584200000000 ] - [ -0.0080879200000000, -0.0962929700000000, 0.0113299800000000 ] - [ 0.0021994100000000, -0.0074104200000000, 0.0013637600000000 ] - [ 0.0011852300000000, 0.0016467800000000, -0.0006787700000000 ] - [ -0.0000090400000000, -0.0004890200000000, 0.0005894600000000 ] - [ 0.0004929700000000, 0.0021351800000000, -0.0004078900000000 ] - [ -0.0009836300000000, 0.0004386200000000, 0.0002041300000000 ] - [ -0.0002759100000000, 0.0006850800000000, -0.0001817300000000 ] - [ -0.0001247600000000, -0.0001510700000000, -0.0004065100000000 ] - [ -0.0008642500000000, 0.0004116900000000, -0.0002035000000000 ] - [ -0.0002732500000000, -0.0008759300000000, 0.0006543800000000 ] - [ -0.0000905500000000, 0.0002889500000000, -0.0006234500000000 ] - [ 0.0050723500000000, 0.0021606100000000, 0.0046725000000000 ] - [ -0.0001051500000000, 0.0024395500000000, -0.0001058600000000 ] - [ 0.0002110700000000, 0.0011459100000000, -0.0009442400000000 ] - [ 0.0007469300000000, -0.0008805100000000, -0.0006649500000000 ] - [ -0.0010015200000000, 0.0010304400000000, -0.0008774800000000 ] - [ -0.0000716200000000, 0.0003121500000000, -0.0004193500000000 ] - [ -0.0001281400000000, 0.0003908300000000, 0.0004332900000000 ] - [ 0.0035296300000000, 0.0083748900000000, 0.0062896300000000 ] - [ 0.0063236800000000, 0.0044478800000000, -0.0064023400000000 ] - [ 0.0006425200000000, 0.0023596200000000, 0.0009737200000000 ] - [ 0.0013839700000000, 0.0182477400000000, 0.0017080400000000 ] - [ -0.0004426300000000, 0.0000156000000000, 0.0006184900000000 ] - [ 0.0000014700000000, 0.0006056400000000, -0.0009001900000000 ] - [ 0.0006438300000000, -0.0016660800000000, -0.0009460600000000 ] - [ -0.0005225600000000, -0.0026374300000000, -0.0008591400000000 ] - [ 0.0002110000000000, 0.0004773800000000, -0.0005342700000000 ] - [ 0.0001595200000000, 0.0002358700000000, -0.0006776800000000 ] - [ -0.0003192100000000, 0.0005277800000000, -0.0006497000000000 ] - [ 0.0002185900000000, 0.0008386200000000, -0.0002794100000000 ] - [ -0.0004913600000000, -0.0004504800000000, -0.0014957300000000 ] - [ -0.0035635800000000, 0.0011319400000000, 0.0030893300000000 ] - [ 0.0005512700000000, 0.0014260000000000, 0.0016837800000000 ] - [ 0.0001216500000000, -0.0000852300000000, -0.0004716600000000 ] - [ -0.0011258700000000, 0.0190960200000000, -0.0140935500000000 ] - [ 0.0010215000000000, 0.0002888300000000, -0.0000539700000000 ] - [ -0.0003568100000000, 0.0003465900000000, -0.0012077700000000 ] - [ -0.0006546600000000, -0.0011466600000000, -0.0006623100000000 ] - [ 0.0009573100000000, -0.0008389400000000, 0.0003609300000000 ] - [ -0.0180918000000000, -0.0029604400000000, 0.0117160100000000 ] - [ -0.0010396100000000, -0.0009895300000000, -0.0010516100000000 ] - [ -0.0009419900000000, -0.0001859900000000, -0.0005833600000000 ] - [ 0.0117134200000000, -0.0001435700000000, -0.0050838900000000 ] - [ -0.0119701800000000, -0.0050442100000000, -0.0161630100000000 ] - [ 0.0004421800000000, 0.0006178700000000, -0.0001155100000000 ] - [ 0.0000835100000000, 0.0001919100000000, -0.0009470600000000 ] - [ -0.0003649000000000, -0.0008454000000000, -0.0002849400000000 ] - [ 0.0009373400000000, -0.0012318500000000, -0.0010326200000000 ] - [ 0.0004895300000000, 0.0000599200000000, 0.0008322700000000 ] - [ 0.0001155100000000, -0.0002690600000000, 0.0002487400000000 ] - [ -0.0002573800000000, -0.0000579800000000, 0.0003911100000000 ] - [ 0.0000698500000000, 0.0002825100000000, 0.0000989300000000 ] - [ -0.0011458500000000, -0.0002133900000000, -0.0012315200000000 ] - [ 0.0001900000000000, 0.0007101800000000, 0.0011693900000000 ] - [ -0.0002817700000000, 0.0009606800000000, 0.0001266100000000 ] - [ 0.0005235900000000, 0.0001359100000000, -0.0000951000000000 ] - [ 0.0033590300000000, 0.0148295500000000, 0.0084853400000000 ] - [ 0.0040850500000000, 0.0017772500000000, 0.0004168100000000 ] - [ -0.0018780500000000, 0.0183425900000000, -0.0054461200000000 ] - [ 0.0014979100000000, 0.0042809100000000, 0.0001901300000000 ] - [ -0.0004264300000000, 0.0001170500000000, 0.0000183700000000 ] - [ 0.0000606200000000, -0.0002203500000000, -0.0000614900000000 ] - [ -0.0003406700000000, 0.0002881000000000, 0.0000121800000000 ] - [ 0.0005622900000000, -0.0003115800000000, 0.0008948900000000 ] - [ 0.0000836500000000, 0.0001989900000000, 0.0003823400000000 ] - [ 0.0005028400000000, -0.0003883200000000, 0.0002362200000000 ] - [ -0.0019415900000000, 0.0004746400000000, 0.0010084300000000 ] - [ -0.0007022900000000, -0.0001446900000000, -0.0014409200000000 ] - [ -0.0003767400000000, 0.0000059400000000, -0.0016425500000000 ] - [ 0.0004031600000000, 0.0000485400000000, 0.0003043900000000 ] - [ 0.0018393800000000, -0.0011566900000000, -0.0020449000000000 ] - [ 0.0002789400000000, 0.0007284100000000, 0.0000439100000000 ] - [ -0.0013946100000000, 0.0010681600000000, -0.0001931500000000 ] - [ 0.0002135200000000, -0.0064250000000000, -0.0006273900000000 ] - [ -0.0001044600000000, 0.0004092300000000, -0.0001324600000000 ] - [ -0.0001515800000000, -0.0006615100000000, 0.0005447300000000 ] - [ 0.0005254800000000, -0.0010652500000000, 0.0007202600000000 ] - [ 0.0020402600000000, -0.0018706300000000, 0.0049276300000000 ] - [ -0.0005773000000000, 0.0001237800000000, -0.0004561600000000 ] - [ -0.0004289900000000, -0.0001856100000000, -0.0006558000000000 ] - [ -0.0007235400000000, 0.0015900900000000, -0.0007240900000000 ] - [ 0.0001535600000000, -0.0006774700000000, -0.0007281300000000 ] - [ -0.0002842500000000, 0.0007625600000000, 0.0005681700000000 ] - [ 0.0200182300000000, 0.0149848000000000, 0.0028794800000000 ] - [ -0.0000507700000000, -0.0003815000000000, 0.0002160500000000 ] - [ 0.0002576100000000, 0.0000154000000000, 0.0002260700000000 ] - [ -0.0003256500000000, 0.0004985400000000, 0.0004859000000000 ] - [ 0.0028387800000000, -0.0022879200000000, -0.0037484400000000 ] - [ -0.0001638000000000, 0.0006647600000000, 0.0004987300000000 ] - [ -0.0001028100000000, -0.0002481600000000, 0.0001980300000000 ] - [ -0.0000120500000000, -0.0002386200000000, -0.0000653100000000 ] - [ 0.0004845000000000, 0.0000467500000000, 0.0003879600000000 ] - [ -0.0029257400000000, -0.0023577600000000, 0.0042530500000000 ] - [ -0.0000976100000000, -0.0000789300000000, -0.0006165900000000 ] - [ -0.0150752300000000, 0.0164850700000000, -0.0093523500000000 ] - [ 0.0001430100000000, -0.0001920000000000, 0.0002719800000000 ] - [ 0.0027994900000000, -0.0022313000000000, 0.0060041900000000 ] - [ -0.0002282300000000, -0.0001508200000000, 0.0005123400000000 ] - [ 0.0002374100000000, 0.0001548200000000, 0.0007864300000000 ] - [ -0.0002935700000000, -0.0092781500000000, -0.0002438800000000 ] - [ 0.0005863700000000, 0.0005365600000000, 0.0009827200000000 ] - [ 0.0038474600000000, 0.0009398900000000, -0.0004286200000000 ] - [ 0.0007639700000000, 0.0038600800000000, 0.0024851400000000 ] - [ 0.0010211000000000, 0.0066286700000000, -0.0025249900000000 ] - [ -0.0008256100000000, -0.0013549900000000, -0.0003148500000000 ] - [ -0.0002213600000000, -0.0003407100000000, 0.0008898500000000 ] - [ -0.0000914800000000, 0.0001302900000000, 0.0002468500000000 ] - [ -0.0002357500000000, -0.0003154500000000, 0.0003537100000000 ] - [ 0.0010661300000000, -0.0011348700000000, -0.0008279000000000 ] - [ 0.0002697100000000, 0.0006262400000000, -0.0007192700000000 ] - [ 0.0020209400000000, -0.0018362300000000, -0.0000259600000000 ] - [ -0.0005915400000000, 0.0003188800000000, 0.0001821900000000 ] - [ 0.0003240500000000, 0.0009109400000000, -0.0002950700000000 ] - [ -0.0000537000000000, 0.0006444800000000, -0.0000816800000000 ] - [ -0.0040433500000000, -0.0018498000000000, 0.0009653300000000 ] - [ -0.0006024600000000, -0.0000525900000000, 0.0004256000000000 ] - [ 0.0003309400000000, -0.0003051800000000, 0.0002539200000000 ] - [ 0.0004016600000000, -0.0002999900000000, 0.0008451300000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0039780300000000, 0.0025614700000000, -0.0030704700000000 ] - [ 0.0004925400000000, 0.0002331800000000, 0.0004282100000000 ] - [ 0.0079705900000000, 0.0960158600000000, -0.0109144500000000 ] - [ -0.0029464800000000, 0.0065888900000000, -0.0019577800000000 ] - [ -0.0009597800000000, -0.0009270000000000, 0.0011803200000000 ] - [ -0.0002799900000000, -0.0007023300000000, 0.0004127500000000 ] - [ -0.0010254700000000, -0.0030837200000000, 0.0009785900000000 ] - [ 0.0011350900000000, -0.0009355800000000, -0.0001231500000000 ] - [ 0.0000545100000000, 0.0009537500000000, 0.0003398700000000 ] - [ -0.0000200800000000, -0.0001507900000000, 0.0000935400000000 ] - [ 0.0005799000000000, 0.0007773600000000, 0.0012020600000000 ] - [ 0.0009999300000000, 0.0017175100000000, -0.0000612300000000 ] - [ -0.0001250000000000, 0.0004234500000000, 0.0001360500000000 ] - [ -0.0052900300000000, -0.0038004600000000, -0.0045218500000000 ] - [ 0.0003611200000000, -0.0030697400000000, -0.0005301500000000 ] - [ 0.0005125500000000, -0.0019877400000000, 0.0015348300000000 ] - [ -0.0006024100000000, 0.0013751900000000, 0.0007247000000000 ] - [ 0.0007616100000000, -0.0003984200000000, 0.0015084900000000 ] - [ -0.0000803600000000, 0.0001870100000000, 0.0003379600000000 ] - [ 0.0002660800000000, -0.0006927400000000, -0.0001269100000000 ] - [ -0.0031917400000000, -0.0095490200000000, -0.0072366500000000 ] - [ -0.0060429600000000, -0.0060977000000000, 0.0062176000000000 ] - [ -0.0008784800000000, -0.0030739300000000, -0.0014790600000000 ] - [ -0.0015359800000000, -0.0181202400000000, -0.0020187000000000 ] - [ -0.0000877700000000, 0.0009414900000000, -0.0000349200000000 ] - [ 0.0002876500000000, 0.0005860100000000, -0.0001038700000000 ] - [ -0.0004968800000000, 0.0019598900000000, 0.0012562700000000 ] - [ 0.0002812900000000, 0.0020004700000000, 0.0014916100000000 ] - [ 0.0003228100000000, 0.0004800400000000, -0.0000456100000000 ] - [ 0.0000804300000000, 0.0003952700000000, 0.0000435500000000 ] - [ -0.0004058400000000, 0.0003169400000000, 0.0000544000000000 ] - [ 0.0000026600000000, 0.0008028200000000, 0.0001185500000000 ] - [ 0.0013170800000000, -0.0003570900000000, 0.0021398900000000 ] - [ 0.0016011600000000, -0.0004956900000000, -0.0032274100000000 ] - [ -0.0007376400000000, -0.0011269800000000, -0.0006913000000000 ] - [ -0.0003085500000000, -0.0002295400000000, 0.0014654700000000 ] - [ -0.0005851500000000, -0.0171695800000000, 0.0124155800000000 ] - [ 0.0009144200000000, 0.0003582000000000, 0.0002106700000000 ] - [ -0.0004761600000000, 0.0004611000000000, 0.0005614400000000 ] - [ -0.0001682000000000, 0.0003524600000000, 0.0000248600000000 ] - [ 0.0006911300000000, -0.0010211300000000, 0.0012714600000000 ] - [ 0.0197460700000000, 0.0048402700000000, -0.0101226700000000 ] - [ -0.0006086900000000, -0.0008718900000000, -0.0005827500000000 ] - [ -0.0009950600000000, -0.0004618300000000, 0.0004239900000000 ] - [ -0.0098286400000000, -0.0003772200000000, 0.0052574400000000 ] - [ 0.0121665200000000, 0.0047286100000000, 0.0151855800000000 ] - [ 0.0003913800000000, 0.0001887200000000, 0.0007583500000000 ] - [ 0.0001019000000000, 0.0001236300000000, -0.0000512200000000 ] - [ -0.0001751800000000, 0.0003742200000000, 0.0002856800000000 ] - [ 0.0002655100000000, 0.0011245800000000, 0.0004362000000000 ] - [ 0.0002310500000000, 0.0001090600000000, 0.0002629700000000 ] - [ 0.0000848100000000, -0.0002369800000000, -0.0002335200000000 ] - [ -0.0004624500000000, -0.0001097800000000, -0.0014838000000000 ] - [ 0.0000900100000000, 0.0001782100000000, -0.0003585500000000 ] - [ 0.0016276000000000, 0.0000670200000000, 0.0010475700000000 ] - [ 0.0001856600000000, 0.0005993700000000, -0.0002439700000000 ] - [ 0.0002173000000000, -0.0015441600000000, -0.0003583700000000 ] - [ 0.0006747100000000, -0.0000310000000000, -0.0004960900000000 ] - [ -0.0030203500000000, -0.0150784200000000, -0.0094200300000000 ] - [ -0.0050936900000000, -0.0024120400000000, -0.0004455400000000 ] - [ 0.0030508000000000, -0.0194240000000000, 0.0074001100000000 ] - [ -0.0020076100000000, -0.0060214200000000, 0.0007233900000000 ] - [ -0.0002686900000000, -0.0000661800000000, -0.0003699500000000 ] - [ 0.0001333100000000, 0.0007480000000000, -0.0000711100000000 ] - [ -0.0001647500000000, 0.0002689800000000, -0.0001646800000000 ] - [ 0.0002519600000000, -0.0000571000000000, 0.0008513200000000 ] - [ 0.0000477700000000, 0.0002985000000000, -0.0001087500000000 ] - [ -0.0001298400000000, -0.0009221000000000, 0.0006850500000000 ] - [ 0.0015086500000000, -0.0001072600000000, -0.0020729800000000 ] - [ -0.0000168100000000, 0.0003157900000000, 0.0003444200000000 ] - [ 0.0013731800000000, 0.0006303500000000, 0.0016669500000000 ] - [ 0.0002920200000000, 0.0000028900000000, 0.0000484800000000 ] - [ -0.0013201700000000, 0.0017172400000000, 0.0021844600000000 ] - [ -0.0004113700000000, -0.0002294100000000, -0.0003174200000000 ] - [ 0.0009388000000000, -0.0004746200000000, 0.0003105900000000 ] - [ -0.0000752200000000, 0.0059632900000000, 0.0003670900000000 ] - [ -0.0000509600000000, 0.0000001900000000, -0.0007760800000000 ] - [ 0.0006081400000000, 0.0012647400000000, -0.0006669600000000 ] - [ -0.0004655200000000, 0.0004866500000000, -0.0004969700000000 ] - [ -0.0014981000000000, 0.0023367800000000, -0.0049198800000000 ] - [ 0.0000542000000000, -0.0007050000000000, 0.0003131800000000 ] - [ -0.0003857300000000, -0.0001831200000000, -0.0010902200000000 ] - [ 0.0005623400000000, -0.0020492300000000, 0.0009839700000000 ] - [ -0.0003095200000000, 0.0002626900000000, -0.0001788500000000 ] - [ -0.0002249800000000, 0.0009787900000000, 0.0003498300000000 ] - [ -0.0191638100000000, -0.0154333400000000, -0.0025171000000000 ] - [ 0.0005063300000000, -0.0002164300000000, -0.0003374100000000 ] - [ 0.0002809200000000, -0.0004898000000000, -0.0002314800000000 ] - [ -0.0002120700000000, -0.0000221500000000, -0.0004784200000000 ] - [ -0.0035230400000000, 0.0022261800000000, 0.0033841200000000 ] - [ 0.0002225600000000, -0.0000863800000000, -0.0002763700000000 ] - [ -0.0000924100000000, -0.0002815400000000, -0.0000659300000000 ] - [ -0.0001879600000000, -0.0002676200000000, 0.0000508400000000 ] - [ -0.0006445500000000, 0.0004131700000000, -0.0001270100000000 ] - [ 0.0027205400000000, 0.0028565900000000, -0.0042526200000000 ] - [ -0.0003501100000000, -0.0003056100000000, -0.0004576900000000 ] - [ 0.0148909900000000, -0.0155874500000000, 0.0088842200000000 ] - [ 0.0003328400000000, 0.0003487600000000, -0.0004625900000000 ] - [ -0.0019775800000000, 0.0025950200000000, -0.0042537400000000 ] - [ -0.0002302500000000, -0.0004453800000000, -0.0003893400000000 ] - [ 0.0002097900000000, 0.0002299000000000, 0.0002854500000000 ] - [ 0.0008096400000000, 0.0075490500000000, -0.0006654100000000 ] - [ -0.0004288300000000, -0.0009439000000000, -0.0000748800000000 ] - [ -0.0046730800000000, -0.0005863800000000, -0.0013105500000000 ] - [ -0.0012408400000000, -0.0037102500000000, -0.0022964000000000 ] - [ -0.0010054500000000, -0.0060391900000000, 0.0025431900000000 ] - [ 0.0006950800000000, 0.0008524400000000, 0.0000399800000000 ] - [ 0.0003762600000000, 0.0007501700000000, 0.0000187300000000 ] - [ 0.0000332300000000, 0.0004477600000000, -0.0004709400000000 ] - [ -0.0002399400000000, 0.0001584000000000, -0.0001628700000000 ] - [ -0.0006068400000000, 0.0007569600000000, 0.0018937400000000 ] - [ -0.0000712000000000, -0.0011472700000000, 0.0005854500000000 ] - [ -0.0023935100000000, 0.0005284400000000, -0.0008939000000000 ] - [ -0.0004112600000000, 0.0003118900000000, -0.0002063200000000 ] - [ 0.0001855900000000, 0.0008300100000000, -0.0006222400000000 ] - [ -0.0003206500000000, 0.0006639200000000, -0.0008415200000000 ] - [ 0.0028736300000000, 0.0019339500000000, -0.0003955500000000 ] - [ -0.0005957400000000, -0.0000507100000000, 0.0001641600000000 ] - [ 0.0001753000000000, -0.0002521400000000, -0.0001012000000000 ] - [ 0.0006004400000000, -0.0003318000000000, -0.0008198600000000 ]- atom: 3 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ -0.0071755800000000, 0.0066420300000000, -0.0074520500000000 ] - [ -0.0010101100000000, -0.0002959400000000, 0.0013338800000000 ] - [ 0.0654118400000000, 0.0137421600000000, -0.0618537100000000 ] - [ -0.0050715400000000, 0.0004330700000000, -0.0047374700000000 ] - [ 0.0006621000000000, -0.0010205400000000, 0.0025799800000000 ] - [ -0.0001522400000000, -0.0002521800000000, 0.0025863700000000 ] - [ -0.0001470600000000, 0.0004840000000000, 0.0021774600000000 ] - [ -0.0010463600000000, -0.0001656500000000, 0.0009541600000000 ] - [ -0.0000473200000000, 0.0009879000000000, 0.0012337400000000 ] - [ -0.0001525100000000, -0.0002937600000000, 0.0012635900000000 ] - [ -0.0018864900000000, 0.0010352500000000, 0.0019780300000000 ] - [ 0.0012341000000000, 0.0018527300000000, 0.0007457300000000 ] - [ 0.0001159200000000, 0.0004389800000000, 0.0014378200000000 ] - [ 0.0056668000000000, 0.0014608300000000, 0.0043194800000000 ] - [ -0.0013690300000000, 0.0010493600000000, -0.0029179400000000 ] - [ 0.0012558900000000, -0.0003055600000000, 0.0012450300000000 ] - [ 0.0004453300000000, 0.0011546600000000, 0.0033853700000000 ] - [ 0.0002477400000000, -0.0002415500000000, 0.0014940600000000 ] - [ 0.0000824100000000, 0.0001897400000000, 0.0016167000000000 ] - [ -0.0004077800000000, -0.0006613600000000, 0.0012183300000000 ] - [ 0.0032967300000000, -0.0013781700000000, -0.0056221900000000 ] - [ -0.0047136700000000, -0.0078137200000000, 0.0008254500000000 ] - [ -0.0019903700000000, -0.0015448300000000, -0.0045127100000000 ] - [ 0.0025059500000000, 0.0005121400000000, -0.0116093100000000 ] - [ -0.0011037400000000, 0.0008504800000000, 0.0014037600000000 ] - [ 0.0000475300000000, 0.0005510200000000, 0.0008861300000000 ] - [ 0.0003044000000000, -0.0013153000000000, 0.0033384600000000 ] - [ 0.0015117200000000, -0.0002955000000000, 0.0008268400000000 ] - [ 0.0001774000000000, 0.0006700600000000, 0.0010880900000000 ] - [ 0.0001193000000000, 0.0005388100000000, 0.0010639400000000 ] - [ -0.0003455600000000, 0.0002659600000000, 0.0013174100000000 ] - [ -0.0000161500000000, 0.0007185600000000, 0.0012173500000000 ] - [ -0.0006107200000000, -0.0004903700000000, -0.0010622000000000 ] - [ -0.0018133900000000, 0.0028941700000000, 0.0014990700000000 ] - [ -0.0017530700000000, 0.0005881800000000, -0.0010302000000000 ] - [ 0.0002273100000000, -0.0001141300000000, 0.0031134500000000 ] - [ 0.0009193500000000, -0.0035857700000000, 0.0035297900000000 ] - [ 0.0005344900000000, 0.0004119400000000, 0.0024726700000000 ] - [ -0.0001135500000000, 0.0004006600000000, 0.0024546600000000 ] - [ -0.0007449300000000, -0.0011873500000000, -0.0049607000000000 ] - [ 0.0004513600000000, -0.0010549900000000, 0.0032669500000000 ] - [ -0.0198146100000000, 0.0093404700000000, 0.0120839900000000 ] - [ -0.0009703300000000, -0.0009071700000000, 0.0009728200000000 ] - [ -0.0014264100000000, -0.0004734900000000, 0.0022877100000000 ] - [ -0.0093018600000000, -0.0229543400000000, 0.0148639400000000 ] - [ 0.0097575200000000, -0.0017445500000000, 0.0069666200000000 ] - [ 0.0004979200000000, 0.0003967800000000, 0.0027272100000000 ] - [ 0.0003882500000000, 0.0002773400000000, 0.0014617200000000 ] - [ 0.0006656100000000, -0.0006981700000000, 0.0016730600000000 ] - [ 0.0011361500000000, 0.0003427200000000, -0.0008517000000000 ] - [ 0.0000147600000000, 0.0001198500000000, -0.0007464600000000 ] - [ 0.0004087800000000, -0.0001973500000000, -0.0012922100000000 ] - [ -0.0008608000000000, 0.0000783000000000, -0.0021542300000000 ] - [ 0.0002031800000000, 0.0001619200000000, -0.0011172500000000 ] - [ 0.0023527000000000, -0.0004207100000000, 0.0009506900000000 ] - [ -0.0004342200000000, 0.0006621000000000, -0.0016670100000000 ] - [ 0.0022337800000000, 0.0011098900000000, 0.0029865000000000 ] - [ 0.0011754100000000, 0.0007756200000000, -0.0017347100000000 ] - [ 0.0005408500000000, 0.0067673700000000, 0.0115977200000000 ] - [ -0.0030087600000000, -0.0015625800000000, 0.0015648100000000 ] - [ 0.0005173600000000, -0.0053771500000000, 0.0081525000000000 ] - [ 0.0030539900000000, 0.0000167000000000, -0.0025267600000000 ] - [ -0.0001144000000000, 0.0005055700000000, -0.0015642200000000 ] - [ 0.0005799300000000, -0.0003529100000000, -0.0012690000000000 ] - [ 0.0003830900000000, 0.0002662300000000, -0.0011848700000000 ] - [ 0.0001204700000000, -0.0000250900000000, 0.0001404700000000 ] - [ 0.0000280800000000, 0.0002555400000000, -0.0009480200000000 ] - [ 0.0013452100000000, -0.0006816800000000, 0.0013225400000000 ] - [ -0.0011176500000000, 0.0029185400000000, -0.0049518500000000 ] - [ 0.0006854400000000, 0.0000620400000000, 0.0001355900000000 ] - [ 0.0012432400000000, 0.0003656300000000, 0.0016605800000000 ] - [ 0.0003811700000000, -0.0003755200000000, -0.0008154200000000 ] - [ -0.0007684600000000, -0.0004903900000000, 0.0005883700000000 ] - [ -0.0001118400000000, -0.0001229400000000, -0.0008410500000000 ] - [ -0.0024650700000000, 0.0003857800000000, 0.0015467400000000 ] - [ -0.0004302900000000, 0.0013391600000000, 0.0027647400000000 ] - [ -0.0001749600000000, -0.0003357300000000, -0.0016260400000000 ] - [ 0.0009733800000000, 0.0007218100000000, 0.0005307800000000 ] - [ 0.0000385700000000, -0.0003355600000000, 0.0003597200000000 ] - [ -0.0010077800000000, 0.0012954900000000, -0.0019340500000000 ] - [ 0.0048124500000000, 0.0028948200000000, -0.0028651500000000 ] - [ -0.0006607400000000, -0.0002396800000000, -0.0021196900000000 ] - [ -0.0012243100000000, 0.0000285600000000, -0.0022901600000000 ] - [ 0.0011302800000000, -0.0007116500000000, 0.0013520800000000 ] - [ -0.0001755900000000, 0.0008503400000000, -0.0006538300000000 ] - [ -0.0193145600000000, -0.0088586600000000, 0.0045791400000000 ] - [ 0.0006444200000000, -0.0001579700000000, -0.0010759600000000 ] - [ -0.0000016800000000, -0.0006163500000000, -0.0008777600000000 ] - [ -0.0003260700000000, -0.0002783300000000, -0.0013694600000000 ] - [ 0.0024512000000000, -0.0022198400000000, -0.0030900000000000 ] - [ 0.0000087600000000, -0.0003868000000000, -0.0011618400000000 ] - [ 0.0001159400000000, -0.0007308900000000, -0.0010202400000000 ] - [ 0.0001997600000000, -0.0003156500000000, -0.0009698100000000 ] - [ 0.0001739500000000, 0.0005203500000000, -0.0008652900000000 ] - [ -0.0006374000000000, 0.0012125200000000, -0.0005086200000000 ] - [ -0.0003035200000000, -0.0001902200000000, -0.0018269300000000 ] - [ 0.0013328300000000, -0.0024164700000000, 0.0034749800000000 ] - [ 0.0002784500000000, 0.0004980700000000, -0.0012752300000000 ] - [ -0.0005508500000000, 0.0004688700000000, 0.0000328100000000 ] - [ -0.0000409500000000, -0.0004534400000000, -0.0009246400000000 ] - [ -0.0001804400000000, 0.0002468400000000, -0.0009872800000000 ] - [ -0.0010350100000000, -0.0004719100000000, 0.0007305500000000 ] - [ 0.0002694200000000, 0.0000374900000000, 0.0009123100000000 ] - [ 0.0044482200000000, -0.0015521700000000, 0.0019225000000000 ] - [ -0.0024973200000000, -0.0005787500000000, -0.0019017000000000 ] - [ -0.0285195800000000, 0.0014088100000000, 0.0174143100000000 ] - [ -0.0008990200000000, -0.0008080200000000, -0.0015246500000000 ] - [ 0.0000154900000000, 0.0007162600000000, -0.0005693200000000 ] - [ 0.0000339900000000, 0.0007995000000000, -0.0014218300000000 ] - [ -0.0003262100000000, 0.0001206100000000, -0.0005818400000000 ] - [ 0.0014112800000000, -0.0016971300000000, 0.0013413000000000 ] - [ 0.0007273000000000, -0.0012799200000000, -0.0013699700000000 ] - [ -0.0007295000000000, -0.0005179100000000, 0.0014743200000000 ] - [ -0.0007429200000000, 0.0001153000000000, -0.0012847500000000 ] - [ 0.0002107100000000, 0.0009572300000000, -0.0014033700000000 ] - [ -0.0006160100000000, 0.0006233400000000, -0.0019515800000000 ] - [ -0.0007144000000000, 0.0063688300000000, 0.0031777000000000 ] - [ -0.0003948900000000, 0.0003405200000000, -0.0007956900000000 ] - [ 0.0009672500000000, -0.0002174100000000, -0.0008246300000000 ] - [ 0.0003953200000000, -0.0004746000000000, -0.0011299900000000 ]- atom: 3 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ 0.0070103400000000, -0.0071224900000000, 0.0073586400000000 ] - [ 0.0012361500000000, -0.0004163000000000, -0.0008523000000000 ] - [ -0.0629225500000000, -0.0133649700000000, 0.0606401000000000 ] - [ 0.0043301500000000, -0.0012675700000000, 0.0041601000000000 ] - [ -0.0004271000000000, 0.0017273100000000, -0.0020758900000000 ] - [ -0.0001389200000000, -0.0009453900000000, -0.0015848400000000 ] - [ -0.0003914300000000, -0.0014425200000000, -0.0015992900000000 ] - [ 0.0011997600000000, -0.0003355700000000, -0.0008721200000000 ] - [ -0.0001756600000000, 0.0006499400000000, -0.0010757400000000 ] - [ 0.0000076100000000, -0.0000072600000000, -0.0015759400000000 ] - [ 0.0015905400000000, 0.0001531800000000, -0.0009808100000000 ] - [ -0.0005051000000000, -0.0010060500000000, -0.0001538300000000 ] - [ -0.0003341200000000, 0.0002727100000000, -0.0019243200000000 ] - [ -0.0059001300000000, -0.0031237700000000, -0.0041605300000000 ] - [ 0.0016022900000000, -0.0016876700000000, 0.0022905900000000 ] - [ -0.0005282600000000, -0.0005447000000000, -0.0006450600000000 ] - [ -0.0002965900000000, -0.0006536700000000, -0.0033045700000000 ] - [ -0.0004900500000000, 0.0008746000000000, -0.0008679800000000 ] - [ -0.0002365700000000, 0.0003094700000000, -0.0016976200000000 ] - [ 0.0005431000000000, 0.0003596900000000, -0.0009125000000000 ] - [ -0.0030143100000000, 0.0001527700000000, 0.0045827900000000 ] - [ 0.0049476600000000, 0.0062345800000000, -0.0009708800000000 ] - [ 0.0017613700000000, 0.0008284200000000, 0.0040033600000000 ] - [ -0.0026385000000000, -0.0001796500000000, 0.0113126800000000 ] - [ 0.0005667000000000, 0.0001068800000000, -0.0008180300000000 ] - [ 0.0002427000000000, 0.0006408200000000, -0.0018894500000000 ] - [ -0.0001716900000000, 0.0016316800000000, -0.0030443600000000 ] - [ -0.0017530500000000, -0.0003271100000000, -0.0001867900000000 ] - [ 0.0003572500000000, 0.0002864400000000, -0.0016677400000000 ] - [ 0.0001193600000000, 0.0000927000000000, -0.0016962200000000 ] - [ -0.0003808700000000, 0.0005776500000000, -0.0019113700000000 ] - [ 0.0002364400000000, 0.0009226700000000, -0.0013773800000000 ] - [ 0.0014498400000000, -0.0003148500000000, 0.0017097700000000 ] - [ -0.0001282300000000, -0.0022230700000000, -0.0016487600000000 ] - [ 0.0015595900000000, -0.0002784900000000, 0.0020232000000000 ] - [ -0.0004171100000000, -0.0002011500000000, -0.0021133200000000 ] - [ -0.0026037500000000, 0.0054330000000000, -0.0051180000000000 ] - [ 0.0013986100000000, 0.0002352600000000, -0.0023171900000000 ] - [ -0.0007094500000000, 0.0004046200000000, -0.0030966100000000 ] - [ -0.0000713700000000, 0.0003825500000000, 0.0043188700000000 ] - [ 0.0011934600000000, -0.0008083000000000, -0.0016286900000000 ] - [ 0.0215664100000000, -0.0076741800000000, -0.0105517100000000 ] - [ -0.0006781900000000, -0.0009554700000000, -0.0026098900000000 ] - [ -0.0005074000000000, -0.0001688500000000, -0.0024472000000000 ] - [ 0.0110490600000000, 0.0221886800000000, -0.0146044000000000 ] - [ -0.0095599900000000, 0.0013595200000000, -0.0080308800000000 ] - [ 0.0003293700000000, 0.0004127600000000, -0.0020839200000000 ] - [ -0.0002037300000000, 0.0000369400000000, -0.0024593900000000 ] - [ -0.0011996300000000, 0.0002259700000000, -0.0016684500000000 ] - [ 0.0000641900000000, -0.0004416200000000, 0.0002641100000000 ] - [ 0.0007065400000000, 0.0000483800000000, 0.0018424600000000 ] - [ -0.0002111200000000, -0.0003089300000000, 0.0013056800000000 ] - [ 0.0001390300000000, -0.0002474600000000, 0.0010562600000000 ] - [ -0.0000438400000000, 0.0003025600000000, 0.0008574900000000 ] - [ -0.0018701600000000, 0.0002664000000000, -0.0011372400000000 ] - [ 0.0008022000000000, 0.0006479200000000, 0.0025818100000000 ] - [ -0.0022899800000000, -0.0016870200000000, -0.0032085400000000 ] - [ 0.0000184100000000, -0.0006803700000000, 0.0011528000000000 ] - [ -0.0003165800000000, -0.0069622400000000, -0.0121377700000000 ] - [ 0.0020199100000000, 0.0009343800000000, -0.0015781900000000 ] - [ 0.0003627200000000, 0.0050134900000000, -0.0069530000000000 ] - [ -0.0035798700000000, -0.0017452100000000, 0.0034546500000000 ] - [ -0.0005802300000000, -0.0004501600000000, 0.0012067200000000 ] - [ -0.0003879700000000, 0.0008821500000000, 0.0011376600000000 ] - [ -0.0008956100000000, 0.0002915200000000, 0.0010330900000000 ] - [ 0.0006924100000000, -0.0003440400000000, 0.0016041700000000 ] - [ 0.0001017400000000, 0.0002383300000000, 0.0012211100000000 ] - [ -0.0009816100000000, -0.0006240100000000, -0.0004056700000000 ] - [ 0.0006758000000000, -0.0025143300000000, 0.0038679200000000 ] - [ -0.0014045100000000, 0.0001054100000000, -0.0012298400000000 ] - [ -0.0002430000000000, 0.0002653700000000, -0.0016304400000000 ] - [ 0.0003124900000000, 0.0004293500000000, 0.0011701400000000 ] - [ 0.0012707900000000, 0.0010399000000000, -0.0004310500000000 ] - [ -0.0000206100000000, 0.0006198800000000, 0.0005688000000000 ] - [ 0.0020079700000000, 0.0002096500000000, -0.0014308700000000 ] - [ 0.0005975000000000, -0.0017977200000000, -0.0030297000000000 ] - [ 0.0000175300000000, 0.0007476500000000, 0.0007181600000000 ] - [ -0.0005240100000000, -0.0001272900000000, -0.0006547000000000 ] - [ 0.0000149600000000, -0.0002395200000000, -0.0001380600000000 ] - [ 0.0015495800000000, -0.0008277600000000, 0.0019591600000000 ] - [ -0.0053321500000000, -0.0034666200000000, 0.0027188500000000 ] - [ -0.0001549000000000, -0.0001277800000000, 0.0003723200000000 ] - [ 0.0010736100000000, -0.0004902900000000, 0.0025578100000000 ] - [ -0.0012904500000000, 0.0003007600000000, -0.0022591100000000 ] - [ -0.0003324700000000, 0.0008897600000000, 0.0015717600000000 ] - [ 0.0194546000000000, 0.0084154000000000, -0.0040819300000000 ] - [ -0.0001902400000000, -0.0004388200000000, 0.0009539800000000 ] - [ 0.0005395000000000, 0.0001405100000000, 0.0008704500000000 ] - [ -0.0002106900000000, 0.0007505700000000, 0.0013741700000000 ] - [ -0.0031338000000000, 0.0021685300000000, 0.0027216200000000 ] - [ 0.0000471400000000, 0.0009590800000000, 0.0013813300000000 ] - [ -0.0003133500000000, 0.0001990300000000, 0.0011504800000000 ] - [ -0.0003968400000000, -0.0001917900000000, 0.0009553000000000 ] - [ -0.0003323400000000, -0.0000569000000000, 0.0011270900000000 ] - [ 0.0004625700000000, -0.0007079500000000, 0.0004755000000000 ] - [ -0.0001429600000000, -0.0001935700000000, 0.0007580500000000 ] - [ -0.0006033200000000, 0.0022930800000000, -0.0030255700000000 ] - [ 0.0001997400000000, -0.0003413700000000, 0.0010837100000000 ] - [ 0.0013535100000000, -0.0000927300000000, 0.0016828800000000 ] - [ -0.0004143100000000, -0.0001430500000000, 0.0010466200000000 ] - [ 0.0006246500000000, 0.0001379000000000, 0.0020564700000000 ] - [ 0.0015430800000000, -0.0012364700000000, -0.0016561900000000 ] - [ -0.0001184000000000, -0.0004516300000000, -0.0000069900000000 ] - [ -0.0052666200000000, 0.0019304700000000, -0.0036756600000000 ] - [ 0.0020016300000000, 0.0007505000000000, 0.0020945300000000 ] - [ 0.0263527800000000, -0.0010567200000000, -0.0164271800000000 ] - [ 0.0007704400000000, 0.0003144800000000, 0.0012453600000000 ] - [ 0.0001381600000000, -0.0003058700000000, 0.0014778200000000 ] - [ -0.0000902000000000, -0.0002248400000000, 0.0011988200000000 ] - [ -0.0001498400000000, -0.0002755000000000, 0.0007703400000000 ] - [ -0.0009620800000000, 0.0013059000000000, -0.0002686300000000 ] - [ -0.0005290400000000, 0.0007399800000000, 0.0012352800000000 ] - [ 0.0003456800000000, -0.0007858600000000, -0.0023934100000000 ] - [ -0.0002567100000000, 0.0005180600000000, 0.0012626300000000 ] - [ 0.0002971100000000, 0.0007815000000000, 0.0004847700000000 ] - [ 0.0002417200000000, 0.0006861800000000, 0.0010308500000000 ] - [ -0.0004885100000000, -0.0062496200000000, -0.0025869800000000 ] - [ -0.0008041300000000, -0.0004414400000000, 0.0013836000000000 ] - [ -0.0004584700000000, -0.0003417100000000, 0.0009774500000000 ] - [ 0.0006072500000000, -0.0001576200000000, 0.0011486200000000 ]- atom: 4 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ 0.0144368100000000, 0.0064838900000000, 0.0005188700000000 ] - [ -0.0014028900000000, 0.0000766000000000, -0.0007692700000000 ] - [ 0.0134851900000000, 0.0021113100000000, 0.0012103200000000 ] - [ -0.1113666700000000, 0.0008319500000000, 0.0086798100000000 ] - [ 0.0010667400000000, 0.0004245500000000, -0.0000694900000000 ] - [ 0.0000613200000000, -0.0006507600000000, 0.0007757300000000 ] - [ 0.0001095200000000, -0.0003252400000000, 0.0014865500000000 ] - [ -0.0011909900000000, -0.0010633200000000, -0.0007358600000000 ] - [ -0.0003252700000000, 0.0006425200000000, 0.0002620100000000 ] - [ -0.0001005500000000, -0.0001060700000000, -0.0001358800000000 ] - [ -0.0036386100000000, -0.0014468700000000, 0.0029355300000000 ] - [ -0.0011676500000000, -0.0006248100000000, -0.0003878300000000 ] - [ -0.0001970800000000, 0.0004269800000000, -0.0002272500000000 ] - [ 0.0033851000000000, -0.0015201800000000, 0.0007591600000000 ] - [ -0.0062955500000000, 0.0015176300000000, -0.0014579000000000 ] - [ 0.0011049000000000, -0.0005882000000000, 0.0001122000000000 ] - [ 0.0015411100000000, 0.0001492200000000, -0.0005867200000000 ] - [ -0.0008129500000000, 0.0006847900000000, -0.0003495700000000 ] - [ -0.0001735700000000, 0.0001771200000000, -0.0000249800000000 ] - [ 0.0004537200000000, 0.0007745100000000, 0.0011634000000000 ] - [ 0.0009695600000000, -0.0092255000000000, -0.0077040700000000 ] - [ -0.0018162800000000, -0.0079715800000000, 0.0089279000000000 ] - [ 0.0022227400000000, -0.0006755500000000, 0.0004155600000000 ] - [ 0.0034123000000000, 0.0012230900000000, 0.0003184500000000 ] - [ 0.0002550800000000, -0.0001552200000000, 0.0015376300000000 ] - [ 0.0001514300000000, 0.0005763200000000, -0.0004701400000000 ] - [ 0.0009363600000000, -0.0000181600000000, 0.0019348700000000 ] - [ 0.0013762700000000, 0.0007909700000000, -0.0011202900000000 ] - [ 0.0002275300000000, 0.0004354600000000, -0.0002889900000000 ] - [ 0.0002536500000000, 0.0003692600000000, -0.0003323800000000 ] - [ -0.0002333400000000, 0.0003516900000000, -0.0003360700000000 ] - [ 0.0003389200000000, 0.0008171200000000, 0.0000420000000000 ] - [ -0.0026714800000000, 0.0024288000000000, -0.0020304700000000 ] - [ 0.0038737600000000, 0.0005227900000000, 0.0009046400000000 ] - [ -0.0081956600000000, 0.0129851600000000, 0.0088621300000000 ] - [ 0.0002703600000000, -0.0001910500000000, 0.0007937100000000 ] - [ 0.0026031000000000, -0.0002474400000000, 0.0006064800000000 ] - [ 0.0006106400000000, 0.0003282100000000, 0.0000459000000000 ] - [ -0.0004731400000000, 0.0004173000000000, -0.0006612800000000 ] - [ 0.0023302000000000, -0.0183830400000000, -0.0188452800000000 ] - [ 0.0010199400000000, -0.0009780700000000, 0.0009720600000000 ] - [ 0.0033615400000000, 0.0046640100000000, 0.0116218500000000 ] - [ -0.0013740300000000, -0.0008805600000000, -0.0005397300000000 ] - [ -0.0013727600000000, -0.0003475600000000, 0.0002183200000000 ] - [ 0.0080654200000000, -0.0011235500000000, 0.0002018000000000 ] - [ 0.0041028500000000, 0.0070680200000000, -0.0145151000000000 ] - [ 0.0004937900000000, 0.0003269600000000, -0.0000552800000000 ] - [ 0.0003252100000000, -0.0000124500000000, -0.0011341300000000 ] - [ 0.0014938400000000, -0.0039507300000000, 0.0004137500000000 ] - [ -0.0008385100000000, 0.0000384500000000, -0.0002870700000000 ] - [ 0.0004366000000000, 0.0001043100000000, 0.0007318400000000 ] - [ 0.0001018600000000, -0.0002304300000000, -0.0000185300000000 ] - [ -0.0005541100000000, -0.0000942900000000, -0.0009514500000000 ] - [ -0.0000049200000000, 0.0002216600000000, -0.0001756800000000 ] - [ 0.0185661800000000, 0.0079136200000000, 0.0067406200000000 ] - [ 0.0000096400000000, 0.0005810300000000, 0.0007477900000000 ] - [ 0.0288908200000000, 0.0037796100000000, -0.0142296100000000 ] - [ 0.0011725700000000, 0.0002423000000000, -0.0007823700000000 ] - [ -0.0020828800000000, -0.0012913000000000, -0.0020729300000000 ] - [ 0.0055101900000000, 0.0021117900000000, -0.0018328700000000 ] - [ -0.0023909600000000, -0.0027309600000000, 0.0033992700000000 ] - [ -0.0000287800000000, -0.0016866800000000, -0.0036200700000000 ] - [ -0.0004693700000000, 0.0000918600000000, -0.0002943000000000 ] - [ 0.0005468400000000, 0.0001106200000000, -0.0004388700000000 ] - [ -0.0001085800000000, 0.0002784100000000, -0.0001425900000000 ] - [ 0.0007232200000000, -0.0002344100000000, 0.0008099800000000 ] - [ -0.0000014300000000, 0.0002802400000000, 0.0001236900000000 ] - [ 0.0035327900000000, 0.0017439300000000, 0.0043281300000000 ] - [ -0.0024799400000000, 0.0001436000000000, -0.0010343000000000 ] - [ -0.0011156000000000, -0.0026136300000000, -0.0043179800000000 ] - [ 0.0066111800000000, 0.0002133800000000, -0.0000713600000000 ] - [ 0.0004692700000000, -0.0000437100000000, 0.0000816900000000 ] - [ -0.0026387900000000, 0.0010299900000000, 0.0015883400000000 ] - [ 0.0010440100000000, 0.0008057800000000, -0.0006231500000000 ] - [ -0.0060111200000000, 0.0024121400000000, 0.0045940400000000 ] - [ 0.0003580500000000, 0.0035951300000000, -0.0004282500000000 ] - [ -0.0000726200000000, 0.0002073200000000, -0.0003833300000000 ] - [ 0.0039883200000000, 0.0004466800000000, -0.0009366500000000 ] - [ 0.0003724700000000, -0.0003152800000000, 0.0006530000000000 ] - [ 0.0004996000000000, -0.0007525200000000, 0.0015843100000000 ] - [ -0.0034665300000000, 0.0010812300000000, -0.0018218100000000 ] - [ -0.0005239000000000, -0.0001899300000000, -0.0009020200000000 ] - [ -0.0016494800000000, -0.0005598400000000, 0.0000436100000000 ] - [ 0.0013163700000000, 0.0052104100000000, 0.0004029900000000 ] - [ -0.0003186600000000, 0.0008278200000000, 0.0004154300000000 ] - [ 0.0357018200000000, -0.0185007200000000, 0.0048291400000000 ] - [ -0.0000400800000000, -0.0002979600000000, 0.0000680600000000 ] - [ 0.0001098700000000, -0.0001008400000000, 0.0005967200000000 ] - [ -0.0003608400000000, 0.0001811600000000, -0.0000944000000000 ] - [ -0.0003262900000000, -0.0014848900000000, -0.0028219600000000 ] - [ -0.0000478800000000, 0.0006514300000000, 0.0006200700000000 ] - [ 0.0000132900000000, -0.0002116500000000, 0.0000933700000000 ] - [ 0.0000269000000000, -0.0002216300000000, -0.0006473800000000 ] - [ 0.0008477200000000, -0.0001733600000000, 0.0002779000000000 ] - [ -0.0014808700000000, 0.0010645800000000, -0.0013639000000000 ] - [ 0.0002676400000000, -0.0002442400000000, -0.0001442100000000 ] - [ -0.0034876000000000, 0.0010660000000000, -0.0012826600000000 ] - [ 0.0001503400000000, 0.0001573800000000, -0.0001784700000000 ] - [ -0.0010688600000000, 0.0000459800000000, 0.0001101000000000 ] - [ -0.0000265800000000, -0.0002350100000000, 0.0001735000000000 ] - [ 0.0002518000000000, 0.0002067400000000, 0.0003765400000000 ] - [ -0.0012303800000000, -0.0005608500000000, -0.0007386500000000 ] - [ 0.0005668000000000, -0.0017462500000000, 0.0022614600000000 ] - [ 0.0040795600000000, 0.0018196800000000, -0.0003409600000000 ] - [ -0.0008210000000000, 0.0001050700000000, 0.0030130300000000 ] - [ -0.0045948300000000, 0.0005575800000000, -0.0002122600000000 ] - [ -0.0009980000000000, 0.0000169300000000, -0.0003153700000000 ] - [ -0.0000236900000000, 0.0000974900000000, 0.0006964100000000 ] - [ -0.0000335900000000, 0.0002833700000000, -0.0000457600000000 ] - [ -0.0004481400000000, -0.0000157900000000, 0.0004644900000000 ] - [ -0.0024169600000000, -0.0010616800000000, -0.0005642400000000 ] - [ -0.0011739200000000, -0.0003030100000000, -0.0002166100000000 ] - [ -0.0009274700000000, -0.0023678600000000, 0.0014079800000000 ] - [ -0.0007980700000000, 0.0003769400000000, 0.0000471200000000 ] - [ 0.0003588500000000, 0.0008594200000000, -0.0005805000000000 ] - [ -0.0000753300000000, 0.0006851300000000, -0.0003236100000000 ] - [ -0.0033412900000000, 0.0002144900000000, 0.0006595500000000 ] - [ -0.0004828000000000, -0.0001175200000000, 0.0003222700000000 ] - [ 0.0006230400000000, -0.0002892500000000, 0.0000553000000000 ] - [ 0.0002826300000000, -0.0003055000000000, -0.0000242600000000 ]- atom: 4 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ -0.0144397200000000, -0.0068917900000000, -0.0005913000000000 ] - [ 0.0016169600000000, -0.0007893900000000, 0.0012536300000000 ] - [ -0.0130564200000000, -0.0030363000000000, -0.0018219600000000 ] - [ 0.1105801700000000, -0.0040754400000000, -0.0077882300000000 ] - [ -0.0008387000000000, 0.0002840100000000, 0.0005752200000000 ] - [ -0.0003510400000000, -0.0005416100000000, 0.0002291100000000 ] - [ -0.0006421600000000, -0.0006273000000000, -0.0009049300000000 ] - [ 0.0013392300000000, 0.0005632600000000, 0.0008159900000000 ] - [ 0.0001034700000000, 0.0009971700000000, -0.0001035700000000 ] - [ -0.0000447500000000, -0.0001952700000000, -0.0001757800000000 ] - [ 0.0033057600000000, 0.0026409000000000, -0.0019310800000000 ] - [ 0.0018982500000000, 0.0014665600000000, 0.0009788000000000 ] - [ -0.0000195200000000, 0.0002856600000000, -0.0002577300000000 ] - [ -0.0036101500000000, -0.0001207400000000, -0.0006034500000000 ] - [ 0.0065238700000000, -0.0021213000000000, 0.0008297400000000 ] - [ -0.0003781000000000, -0.0002552400000000, 0.0004817700000000 ] - [ -0.0013946700000000, 0.0003533600000000, 0.0006571300000000 ] - [ 0.0005750400000000, -0.0000531900000000, 0.0009815100000000 ] - [ 0.0000205900000000, 0.0003212400000000, -0.0000544500000000 ] - [ -0.0003185800000000, -0.0010827200000000, -0.0008557800000000 ] - [ -0.0006983700000000, 0.0080624300000000, 0.0067033800000000 ] - [ 0.0020391100000000, 0.0063574700000000, -0.0091034500000000 ] - [ -0.0024508800000000, -0.0000478000000000, -0.0009135800000000 ] - [ -0.0035496300000000, -0.0009349700000000, -0.0006370900000000 ] - [ -0.0007906700000000, 0.0011169700000000, -0.0009531400000000 ] - [ 0.0001377500000000, 0.0006153900000000, -0.0005324400000000 ] - [ -0.0007905700000000, 0.0003191200000000, -0.0016225100000000 ] - [ -0.0016140200000000, -0.0014245700000000, 0.0017531800000000 ] - [ 0.0003065500000000, 0.0005215900000000, -0.0002892800000000 ] - [ -0.0000149300000000, 0.0002624900000000, -0.0002988100000000 ] - [ -0.0004931400000000, 0.0004921400000000, -0.0002567100000000 ] - [ -0.0001193800000000, 0.0008241100000000, -0.0002012700000000 ] - [ 0.0034878900000000, -0.0032290600000000, 0.0026645800000000 ] - [ -0.0058106800000000, 0.0001249100000000, -0.0010612400000000 ] - [ 0.0080311600000000, -0.0126969700000000, -0.0078684700000000 ] - [ -0.0004560700000000, -0.0001242100000000, 0.0002048400000000 ] - [ -0.0042476500000000, 0.0021043700000000, -0.0022423700000000 ] - [ 0.0013249900000000, 0.0003193800000000, 0.0001130100000000 ] - [ -0.0003562000000000, 0.0003891600000000, 0.0000212200000000 ] - [ -0.0031178700000000, 0.0175375100000000, 0.0181052800000000 ] - [ 0.0006263300000000, -0.0008833700000000, 0.0006652300000000 ] - [ -0.0016559300000000, -0.0028586400000000, -0.0099984900000000 ] - [ -0.0002731500000000, -0.0009810800000000, -0.0010950200000000 ] - [ -0.0005618800000000, -0.0002985200000000, -0.0003746400000000 ] - [ -0.0060992100000000, 0.0004678500000000, -0.0000362600000000 ] - [ -0.0038182800000000, -0.0074216800000000, 0.0136120300000000 ] - [ 0.0003362400000000, 0.0004799700000000, 0.0006995000000000 ] - [ -0.0001396400000000, 0.0003273300000000, 0.0001373500000000 ] - [ -0.0020309500000000, 0.0034826200000000, -0.0004146800000000 ] - [ 0.0020386200000000, -0.0001371200000000, -0.0003041500000000 ] - [ 0.0002825700000000, 0.0000643900000000, 0.0003626300000000 ] - [ 0.0000971600000000, -0.0002758800000000, 0.0000333700000000 ] - [ -0.0001677800000000, -0.0000747300000000, -0.0001434100000000 ] - [ 0.0001654000000000, 0.0002406400000000, -0.0000845800000000 ] - [ -0.0176286400000000, -0.0073896000000000, -0.0064185800000000 ] - [ 0.0003618000000000, 0.0007282400000000, 0.0001709800000000 ] - [ -0.0273851800000000, -0.0044478900000000, 0.0126755300000000 ] - [ 0.0000239400000000, -0.0001402200000000, 0.0001936100000000 ] - [ 0.0022668300000000, 0.0018117200000000, 0.0021059600000000 ] - [ -0.0064213200000000, -0.0026189100000000, 0.0016090100000000 ] - [ 0.0030989700000000, 0.0025820200000000, -0.0023336200000000 ] - [ -0.0004913700000000, -0.0000384500000000, 0.0045439300000000 ] - [ -0.0002257100000000, -0.0000402400000000, -0.0000590600000000 ] - [ -0.0003514700000000, 0.0004166600000000, 0.0003043300000000 ] - [ -0.0003996900000000, 0.0002800700000000, -0.0000104200000000 ] - [ 0.0000896300000000, -0.0001335300000000, 0.0009368100000000 ] - [ 0.0001323500000000, 0.0002169400000000, 0.0001500200000000 ] - [ -0.0031554700000000, -0.0030461200000000, -0.0033993800000000 ] - [ 0.0020246900000000, 0.0002413300000000, -0.0000502700000000 ] - [ 0.0004027500000000, 0.0027972200000000, 0.0032495900000000 ] - [ -0.0056172800000000, 0.0004162600000000, 0.0000919300000000 ] - [ 0.0002256900000000, 0.0000960800000000, 0.0002719800000000 ] - [ 0.0031436100000000, -0.0004701500000000, -0.0014293600000000 ] - [ -0.0011734000000000, -0.0003071000000000, 0.0003552700000000 ] - [ 0.0055824400000000, -0.0018230100000000, -0.0044880700000000 ] - [ -0.0002017200000000, -0.0040627800000000, 0.0001728800000000 ] - [ -0.0000850400000000, 0.0002029100000000, -0.0005257100000000 ] - [ -0.0035318800000000, 0.0001478900000000, 0.0008159200000000 ] - [ -0.0003143800000000, -0.0002626100000000, -0.0004243800000000 ] - [ 0.0000165400000000, 0.0012222800000000, -0.0015872800000000 ] - [ 0.0029400700000000, -0.0016240000000000, 0.0016438200000000 ] - [ -0.0002920400000000, -0.0001775900000000, -0.0008449000000000 ] - [ 0.0014890800000000, 0.0000987500000000, 0.0002177200000000 ] - [ -0.0014662600000000, -0.0056036100000000, -0.0013006400000000 ] - [ -0.0001898500000000, 0.0009129100000000, 0.0005038400000000 ] - [ -0.0377359900000000, 0.0196334100000000, -0.0049328600000000 ] - [ 0.0004958800000000, -0.0002991100000000, -0.0001893800000000 ] - [ 0.0004282900000000, -0.0003720200000000, -0.0006007700000000 ] - [ -0.0001779700000000, 0.0002924700000000, 0.0001004600000000 ] - [ -0.0003820600000000, 0.0014273900000000, 0.0024490800000000 ] - [ 0.0001050400000000, -0.0000762400000000, -0.0003966500000000 ] - [ -0.0002089200000000, -0.0003177700000000, 0.0000399500000000 ] - [ -0.0002256500000000, -0.0002856200000000, 0.0006371100000000 ] - [ -0.0010064000000000, 0.0006372500000000, -0.0000152900000000 ] - [ 0.0012766400000000, -0.0005580900000000, 0.0013491900000000 ] - [ -0.0007149200000000, -0.0001410300000000, -0.0009277000000000 ] - [ 0.0041711000000000, -0.0011181100000000, 0.0016325500000000 ] - [ 0.0003254900000000, -0.0000000600000000, -0.0000115600000000 ] - [ 0.0018808400000000, 0.0003216800000000, 0.0016352400000000 ] - [ -0.0004286800000000, -0.0003626200000000, -0.0000521600000000 ] - [ 0.0001954600000000, 0.0001778300000000, 0.0006974800000000 ] - [ 0.0017374300000000, -0.0011764200000000, -0.0001765500000000 ] - [ -0.0004100400000000, 0.0013334700000000, -0.0013440600000000 ] - [ -0.0048530300000000, -0.0015049200000000, -0.0014590600000000 ] - [ 0.0003239000000000, 0.0000629500000000, -0.0028263200000000 ] - [ 0.0043930000000000, -0.0000311000000000, 0.0003451400000000 ] - [ 0.0008651400000000, -0.0005148100000000, 0.0000434700000000 ] - [ 0.0001787600000000, 0.0003123400000000, 0.0002137700000000 ] - [ -0.0000252000000000, 0.0002935500000000, -0.0001782700000000 ] - [ -0.0000290000000000, -0.0001420900000000, -0.0002726500000000 ] - [ 0.0028709500000000, 0.0006805500000000, 0.0016339000000000 ] - [ 0.0013692300000000, -0.0002297800000000, 0.0000841800000000 ] - [ 0.0005516200000000, 0.0010566200000000, -0.0023244100000000 ] - [ -0.0002039100000000, 0.0002552600000000, -0.0000717700000000 ] - [ 0.0001496500000000, 0.0008795100000000, -0.0003363100000000 ] - [ -0.0003001600000000, 0.0006234500000000, -0.0005988200000000 ] - [ 0.0021415700000000, -0.0001043900000000, -0.0000642000000000 ] - [ -0.0007152800000000, 0.0000150200000000, 0.0002683300000000 ] - [ -0.0001153700000000, -0.0002697700000000, 0.0000989200000000 ] - [ 0.0007184900000000, -0.0003273300000000, 0.0000499100000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0064399100000000, -0.0024862600000000, -0.0043724800000000 ] - [ -0.0001373400000000, -0.0011249200000000, 0.0004398200000000 ] - [ -0.0034424800000000, -0.0074749000000000, -0.0012399600000000 ] - [ 0.0025456100000000, -0.0772941700000000, 0.0064031000000000 ] - [ 0.0015308600000000, 0.0011835600000000, -0.0000912300000000 ] - [ 0.0000165000000000, -0.0006462800000000, 0.0006964400000000 ] - [ 0.0004414000000000, 0.0010874400000000, 0.0005177300000000 ] - [ -0.0006565000000000, 0.0005478100000000, 0.0006017200000000 ] - [ -0.0002390100000000, 0.0004679400000000, -0.0000309500000000 ] - [ -0.0001006600000000, -0.0002311500000000, 0.0000266900000000 ] - [ -0.0051960700000000, -0.0010494500000000, -0.0042642400000000 ] - [ -0.0006852200000000, -0.0020000300000000, 0.0022695000000000 ] - [ -0.0000957900000000, 0.0003130900000000, -0.0001273600000000 ] - [ 0.0006173900000000, -0.0003911800000000, 0.0004189100000000 ] - [ -0.0014305100000000, 0.0114069100000000, -0.0012099500000000 ] - [ 0.0005305300000000, 0.0000090100000000, -0.0000172300000000 ] - [ 0.0011088900000000, -0.0005116200000000, -0.0002664500000000 ] - [ -0.0006216300000000, 0.0015360600000000, -0.0005109300000000 ] - [ -0.0000996100000000, 0.0003049600000000, 0.0000806300000000 ] - [ 0.0000624600000000, 0.0016732300000000, 0.0013844800000000 ] - [ -0.0040703900000000, 0.0066942800000000, 0.0020553900000000 ] - [ -0.0025652000000000, 0.0045702200000000, -0.0085217000000000 ] - [ 0.0002176800000000, 0.0024084100000000, -0.0016184600000000 ] - [ 0.0009872300000000, 0.0028486600000000, -0.0000856200000000 ] - [ -0.0000840600000000, -0.0008198800000000, 0.0019922100000000 ] - [ 0.0000747400000000, 0.0005963900000000, -0.0003850500000000 ] - [ 0.0004430300000000, -0.0004314300000000, 0.0001867200000000 ] - [ -0.0000501400000000, -0.0009483400000000, 0.0001082300000000 ] - [ 0.0002328800000000, 0.0005830000000000, -0.0001322600000000 ] - [ 0.0001903000000000, 0.0002830800000000, -0.0002526500000000 ] - [ -0.0002920100000000, 0.0004482100000000, -0.0002108100000000 ] - [ 0.0002957600000000, 0.0008806900000000, 0.0001874300000000 ] - [ 0.0020696800000000, 0.0000412500000000, -0.0029803700000000 ] - [ -0.0002427400000000, 0.0005202800000000, 0.0020942600000000 ] - [ 0.0004864900000000, 0.0211551100000000, 0.0113255600000000 ] - [ 0.0000166800000000, -0.0001135700000000, 0.0005270400000000 ] - [ -0.0005889600000000, 0.0030073400000000, -0.0027686800000000 ] - [ 0.0009900900000000, 0.0002933500000000, 0.0005682500000000 ] - [ -0.0003692200000000, 0.0003542900000000, -0.0005474100000000 ] - [ -0.0089234300000000, -0.0016549600000000, 0.0044331200000000 ] - [ 0.0008556800000000, -0.0009001700000000, 0.0009824700000000 ] - [ 0.0131352800000000, -0.0068937300000000, 0.0151515200000000 ] - [ -0.0011566300000000, -0.0010688200000000, -0.0001425300000000 ] - [ -0.0010220700000000, -0.0001249500000000, 0.0001474400000000 ] - [ 0.0004700700000000, -0.0017602800000000, 0.0012152200000000 ] - [ 0.0184025700000000, -0.0006394900000000, -0.0083407800000000 ] - [ 0.0004079500000000, 0.0006647500000000, 0.0005961600000000 ] - [ 0.0000382300000000, 0.0001669200000000, -0.0002775100000000 ] - [ -0.0002715600000000, -0.0062837000000000, 0.0017897100000000 ] - [ 0.0001521000000000, -0.0010979800000000, -0.0010120900000000 ] - [ 0.0003881500000000, 0.0000823200000000, 0.0004605700000000 ] - [ 0.0002067000000000, -0.0002142800000000, -0.0000617300000000 ] - [ -0.0004135500000000, -0.0001014600000000, -0.0004320200000000 ] - [ 0.0000593000000000, 0.0002746500000000, -0.0002635800000000 ] - [ 0.0088290500000000, 0.0062947100000000, 0.0049194200000000 ] - [ 0.0000406500000000, 0.0007262500000000, 0.0007537800000000 ] - [ 0.0020905200000000, 0.0058402800000000, 0.0008674200000000 ] - [ 0.0007127200000000, 0.0001545700000000, -0.0004127400000000 ] - [ -0.0041147900000000, 0.0017612300000000, 0.0000193000000000 ] - [ -0.0019572500000000, 0.0175840600000000, -0.0162778800000000 ] - [ -0.0043018700000000, 0.0014562600000000, -0.0007947000000000 ] - [ -0.0014722900000000, 0.0039727800000000, -0.0001684900000000 ] - [ -0.0003567400000000, 0.0002640700000000, -0.0003116700000000 ] - [ 0.0003561100000000, -0.0002159700000000, -0.0003967400000000 ] - [ -0.0002513100000000, 0.0003055800000000, -0.0002194000000000 ] - [ 0.0004396700000000, -0.0003832400000000, 0.0001967800000000 ] - [ 0.0000297600000000, 0.0002092200000000, 0.0000263500000000 ] - [ 0.0017313300000000, -0.0000553100000000, -0.0008563400000000 ] - [ -0.0003490900000000, 0.0003861000000000, -0.0002777000000000 ] - [ -0.0023150100000000, -0.0031847800000000, -0.0052146700000000 ] - [ 0.0022736800000000, -0.0022071300000000, -0.0035769500000000 ] - [ 0.0004061900000000, -0.0001954800000000, -0.0001357500000000 ] - [ 0.0009203700000000, -0.0003820600000000, -0.0011000500000000 ] - [ 0.0007117800000000, 0.0022508300000000, 0.0000221600000000 ] - [ -0.0002056100000000, 0.0008573900000000, 0.0004683500000000 ] - [ -0.0003073100000000, -0.0058339900000000, 0.0010103200000000 ] - [ -0.0001076700000000, 0.0002937800000000, -0.0004345100000000 ] - [ -0.0005877200000000, -0.0018345000000000, 0.0016178200000000 ] - [ -0.0002097100000000, -0.0010978900000000, 0.0008504800000000 ] - [ -0.0028759800000000, -0.0021457800000000, 0.0026065900000000 ] - [ 0.0020263600000000, 0.0001623300000000, 0.0000463300000000 ] - [ -0.0005076300000000, -0.0001959300000000, -0.0009803000000000 ] - [ -0.0003328900000000, 0.0000775500000000, 0.0000084100000000 ] - [ 0.0024986900000000, -0.0012620200000000, -0.0010119800000000 ] - [ -0.0002116900000000, 0.0007129000000000, 0.0003273900000000 ] - [ -0.0159745200000000, 0.0159823100000000, -0.0015553100000000 ] - [ 0.0000924100000000, -0.0003330500000000, -0.0001116500000000 ] - [ 0.0003606900000000, -0.0001202600000000, -0.0000692000000000 ] - [ -0.0003126900000000, 0.0002544300000000, -0.0000188900000000 ] - [ -0.0024694500000000, -0.0015010800000000, -0.0046281900000000 ] - [ 0.0000763100000000, 0.0005732700000000, 0.0001215800000000 ] - [ -0.0000555800000000, -0.0003677300000000, -0.0001085700000000 ] - [ 0.0000599000000000, -0.0002096200000000, -0.0008484200000000 ] - [ 0.0008394400000000, -0.0009161200000000, 0.0011870100000000 ] - [ -0.0001380600000000, -0.0003154600000000, 0.0013248900000000 ] - [ -0.0002366600000000, -0.0001102700000000, -0.0009717100000000 ] - [ 0.0020881000000000, -0.0014376700000000, 0.0021998800000000 ] - [ 0.0001969700000000, 0.0000308300000000, -0.0001167600000000 ] - [ 0.0006500100000000, 0.0000149300000000, 0.0018180900000000 ] - [ -0.0001814200000000, -0.0002004200000000, 0.0002301400000000 ] - [ 0.0001641600000000, 0.0001661200000000, 0.0003773000000000 ] - [ 0.0001973000000000, -0.0020827200000000, -0.0001997600000000 ] - [ -0.0000327000000000, 0.0006479200000000, 0.0009743600000000 ] - [ -0.0002516000000000, 0.0140354200000000, 0.0012605100000000 ] - [ -0.0032941900000000, 0.0039033300000000, 0.0017227800000000 ] - [ -0.0003002500000000, 0.0020445300000000, -0.0003613100000000 ] - [ -0.0007152600000000, -0.0004850500000000, -0.0001600000000000 ] - [ -0.0000596000000000, -0.0002520400000000, 0.0006627000000000 ] - [ -0.0000563700000000, 0.0002587400000000, -0.0000965900000000 ] - [ -0.0001747700000000, -0.0002023100000000, 0.0000585800000000 ] - [ -0.0018237400000000, -0.0016716900000000, -0.0001617800000000 ] - [ -0.0005112400000000, 0.0004673000000000, -0.0007991300000000 ] - [ -0.0005371100000000, -0.0013132600000000, 0.0010802900000000 ] - [ -0.0005318700000000, 0.0003018500000000, -0.0001036100000000 ] - [ 0.0003124400000000, 0.0010520000000000, -0.0006396900000000 ] - [ -0.0001064700000000, 0.0006299300000000, -0.0005142700000000 ] - [ -0.0008762300000000, -0.0006863400000000, 0.0001873500000000 ] - [ -0.0005592900000000, 0.0000393200000000, 0.0001308100000000 ] - [ 0.0004478700000000, -0.0003138900000000, -0.0000237300000000 ] - [ 0.0004517300000000, -0.0003392700000000, 0.0000849900000000 ]- atom: 4 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0065760800000000, 0.0019517100000000, 0.0042927300000000 ] - [ 0.0003541000000000, 0.0004098400000000, 0.0000479200000000 ] - [ 0.0039901000000000, 0.0065250400000000, 0.0006583600000000 ] - [ -0.0023199800000000, 0.0770620500000000, -0.0077702300000000 ] - [ -0.0013028200000000, -0.0004711700000000, 0.0005916800000000 ] - [ -0.0003062000000000, -0.0005463800000000, 0.0003070800000000 ] - [ -0.0009770900000000, -0.0020451900000000, 0.0000600300000000 ] - [ 0.0008083600000000, -0.0010435600000000, -0.0005220600000000 ] - [ 0.0000170600000000, 0.0011690700000000, 0.0001890900000000 ] - [ -0.0000436200000000, -0.0000711900000000, -0.0003384700000000 ] - [ 0.0048913100000000, 0.0022477600000000, 0.0052636400000000 ] - [ 0.0014085400000000, 0.0028296600000000, -0.0016689500000000 ] - [ -0.0001210000000000, 0.0003979000000000, -0.0003590500000000 ] - [ -0.0008444300000000, -0.0012488300000000, -0.0002602600000000 ] - [ 0.0016630100000000, -0.0121016700000000, 0.0005435700000000 ] - [ 0.0001972000000000, -0.0008539900000000, 0.0006097800000000 ] - [ -0.0009619400000000, 0.0010075600000000, 0.0003307000000000 ] - [ 0.0003813700000000, -0.0009020700000000, 0.0011432800000000 ] - [ -0.0000532200000000, 0.0001931700000000, -0.0001611100000000 ] - [ 0.0000774800000000, -0.0019741900000000, -0.0010747900000000 ] - [ 0.0043076100000000, -0.0078780700000000, -0.0030549900000000 ] - [ 0.0027494500000000, -0.0062133900000000, 0.0083287300000000 ] - [ -0.0004267700000000, -0.0031243100000000, 0.0011164400000000 ] - [ -0.0011383000000000, -0.0025441400000000, -0.0002215800000000 ] - [ -0.0004460100000000, 0.0017744600000000, -0.0014049800000000 ] - [ 0.0002150400000000, 0.0005943400000000, -0.0006182900000000 ] - [ -0.0002996500000000, 0.0007301900000000, 0.0001243400000000 ] - [ -0.0001898800000000, 0.0003122000000000, 0.0005277600000000 ] - [ 0.0003017000000000, 0.0003732900000000, -0.0004466100000000 ] - [ 0.0000496300000000, 0.0003472600000000, -0.0003803800000000 ] - [ -0.0004335500000000, 0.0003950500000000, -0.0003832100000000 ] - [ -0.0000746200000000, 0.0007602700000000, -0.0003478300000000 ] - [ -0.0012189000000000, -0.0008637800000000, 0.0036042400000000 ] - [ -0.0016876300000000, 0.0001271000000000, -0.0022500600000000 ] - [ -0.0005811300000000, -0.0207721800000000, -0.0102254700000000 ] - [ -0.0002019900000000, -0.0002029600000000, 0.0004709900000000 ] - [ -0.0010586100000000, -0.0011571700000000, 0.0011378200000000 ] - [ 0.0009470800000000, 0.0003543000000000, -0.0004087100000000 ] - [ -0.0004570400000000, 0.0004502800000000, -0.0000978400000000 ] - [ 0.0081172200000000, 0.0009548200000000, -0.0050733800000000 ] - [ 0.0007919500000000, -0.0009626900000000, 0.0006523800000000 ] - [ -0.0115069500000000, 0.0087695700000000, -0.0135540700000000 ] - [ -0.0004894800000000, -0.0007945400000000, -0.0014905600000000 ] - [ -0.0009183700000000, -0.0005244000000000, -0.0003045600000000 ] - [ 0.0014655900000000, 0.0011207000000000, -0.0010611000000000 ] - [ -0.0181792200000000, 0.0003433600000000, 0.0073773600000000 ] - [ 0.0004177100000000, 0.0001425300000000, 0.0000471800000000 ] - [ 0.0001477600000000, 0.0001482100000000, -0.0007201100000000 ] - [ -0.0002839500000000, 0.0058230800000000, -0.0017983100000000 ] - [ 0.0010426600000000, 0.0009937800000000, 0.0004204700000000 ] - [ 0.0003346500000000, 0.0000845900000000, 0.0006373100000000 ] - [ -0.0000040600000000, -0.0002932400000000, 0.0000744800000000 ] - [ -0.0003103000000000, -0.0000678400000000, -0.0006676800000000 ] - [ 0.0000998200000000, 0.0001870100000000, 0.0000037900000000 ] - [ -0.0078025600000000, -0.0060572800000000, -0.0046960900000000 ] - [ 0.0003312500000000, 0.0005837900000000, 0.0001715100000000 ] - [ -0.0023603100000000, -0.0064211500000000, -0.0009291500000000 ] - [ 0.0004838000000000, -0.0000539100000000, -0.0001765200000000 ] - [ 0.0043247200000000, -0.0012592600000000, -0.0000005100000000 ] - [ 0.0007709800000000, -0.0186636200000000, 0.0172314200000000 ] - [ 0.0050312000000000, -0.0016384300000000, 0.0018816700000000 ] - [ 0.0009648100000000, -0.0057214000000000, 0.0010915400000000 ] - [ -0.0003373100000000, -0.0002143500000000, -0.0000404500000000 ] - [ -0.0001611400000000, 0.0007456800000000, 0.0002646900000000 ] - [ -0.0002511300000000, 0.0002508600000000, 0.0000664100000000 ] - [ 0.0003737400000000, 0.0000131600000000, 0.0015470300000000 ] - [ 0.0001013500000000, 0.0002860200000000, 0.0002465200000000 ] - [ -0.0013688600000000, -0.0012693500000000, 0.0017760200000000 ] - [ -0.0000998800000000, -0.0000014300000000, -0.0007970500000000 ] - [ 0.0015846500000000, 0.0033584200000000, 0.0041151900000000 ] - [ -0.0012653300000000, 0.0028348600000000, 0.0035825400000000 ] - [ 0.0002881000000000, 0.0002445300000000, 0.0004877700000000 ] - [ -0.0004155600000000, 0.0009407700000000, 0.0012553600000000 ] - [ -0.0008428000000000, -0.0017498800000000, -0.0002939200000000 ] - [ -0.0002319500000000, -0.0002786400000000, -0.0003613200000000 ] - [ 0.0004846000000000, 0.0053816100000000, -0.0012684000000000 ] - [ -0.0000480300000000, 0.0001163600000000, -0.0004741800000000 ] - [ 0.0010400200000000, 0.0024303800000000, -0.0017264600000000 ] - [ 0.0002626200000000, 0.0005184000000000, -0.0006177100000000 ] - [ 0.0033963800000000, 0.0026074000000000, -0.0026041300000000 ] - [ -0.0025368500000000, -0.0007282900000000, -0.0002015000000000 ] - [ -0.0003082600000000, -0.0001730600000000, -0.0007679400000000 ] - [ 0.0001753700000000, -0.0005403900000000, 0.0002510700000000 ] - [ -0.0026743300000000, 0.0008331000000000, 0.0001181900000000 ] - [ -0.0002967700000000, 0.0010278300000000, 0.0005922600000000 ] - [ 0.0152970500000000, -0.0162650300000000, 0.0017072400000000 ] - [ 0.0003655600000000, -0.0002641000000000, -0.0000113800000000 ] - [ 0.0001783200000000, -0.0003567000000000, 0.0000598400000000 ] - [ -0.0002255300000000, 0.0002206800000000, 0.0000279100000000 ] - [ 0.0017720100000000, 0.0014430900000000, 0.0042683500000000 ] - [ -0.0000189800000000, 0.0000036900000000, 0.0001040800000000 ] - [ -0.0001389200000000, -0.0001627100000000, 0.0002423000000000 ] - [ -0.0002592800000000, -0.0002984700000000, 0.0008348800000000 ] - [ -0.0009963200000000, 0.0013730300000000, -0.0009217700000000 ] - [ -0.0000585700000000, 0.0008231000000000, -0.0013386400000000 ] - [ -0.0002117900000000, -0.0002752600000000, -0.0001036200000000 ] - [ -0.0013999700000000, 0.0013935900000000, -0.0018549400000000 ] - [ 0.0002783400000000, 0.0001239500000000, -0.0000717600000000 ] - [ 0.0001648500000000, 0.0003543100000000, -0.0000694800000000 ] - [ -0.0002763500000000, -0.0003962200000000, -0.0001066300000000 ] - [ 0.0002832200000000, 0.0002169900000000, 0.0006950200000000 ] - [ 0.0003121700000000, 0.0003421700000000, -0.0007172100000000 ] - [ 0.0001859100000000, -0.0010457900000000, -0.0000634300000000 ] - [ -0.0008925900000000, -0.0144017600000000, -0.0036777900000000 ] - [ 0.0028154100000000, -0.0037435800000000, -0.0015293900000000 ] - [ 0.0001126300000000, -0.0015212300000000, 0.0005016700000000 ] - [ 0.0005844400000000, -0.0000128900000000, -0.0001131600000000 ] - [ 0.0002162100000000, 0.0006577500000000, 0.0002504200000000 ] - [ -0.0000008200000000, 0.0003173500000000, -0.0001284300000000 ] - [ -0.0002988000000000, 0.0000471800000000, 0.0001288200000000 ] - [ 0.0022693000000000, 0.0012893600000000, 0.0012336900000000 ] - [ 0.0007046100000000, -0.0009976800000000, 0.0006657500000000 ] - [ 0.0001548000000000, 0.0000110400000000, -0.0020010600000000 ] - [ -0.0004733100000000, 0.0003293100000000, 0.0000800400000000 ] - [ 0.0001960700000000, 0.0006908700000000, -0.0002796800000000 ] - [ -0.0002668600000000, 0.0006772800000000, -0.0004100100000000 ] - [ -0.0003212400000000, 0.0007825100000000, 0.0004006600000000 ] - [ -0.0006389900000000, -0.0001426200000000, 0.0004604600000000 ] - [ 0.0000585100000000, -0.0002441800000000, 0.0001778400000000 ] - [ 0.0005527900000000, -0.0002949300000000, -0.0000609500000000 ]- atom: 4 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ -0.0070104800000000, -0.0071238600000000, -0.0092654300000000 ] - [ 0.0007117400000000, -0.0010389400000000, 0.0032533400000000 ] - [ -0.0042507700000000, -0.0001693600000000, -0.0046594800000000 ] - [ 0.0566922200000000, 0.0056726100000000, -0.0805080500000000 ] - [ -0.0017916700000000, 0.0000978100000000, 0.0013779800000000 ] - [ -0.0002473900000000, -0.0004364300000000, 0.0018693100000000 ] - [ 0.0000965100000000, 0.0005587800000000, 0.0009654100000000 ] - [ 0.0004766800000000, 0.0009935900000000, 0.0025466300000000 ] - [ 0.0000216500000000, 0.0007562400000000, 0.0022216300000000 ] - [ -0.0000274000000000, -0.0004400800000000, 0.0015303600000000 ] - [ 0.0084390100000000, -0.0008102600000000, 0.0069594300000000 ] - [ 0.0004547400000000, 0.0026601900000000, 0.0031032700000000 ] - [ 0.0001424400000000, 0.0003393900000000, 0.0015227900000000 ] - [ -0.0022382500000000, 0.0004593800000000, 0.0002826100000000 ] - [ 0.0016020300000000, 0.0036185000000000, -0.0062318300000000 ] - [ -0.0001387900000000, -0.0000666100000000, 0.0015121000000000 ] - [ -0.0021514200000000, 0.0003665100000000, 0.0015582900000000 ] - [ 0.0000711100000000, -0.0005927400000000, 0.0027068800000000 ] - [ 0.0001167000000000, 0.0002927600000000, 0.0017078000000000 ] - [ 0.0010576900000000, -0.0007270900000000, 0.0005901500000000 ] - [ -0.0026395400000000, 0.0032436000000000, -0.0021586000000000 ] - [ 0.0041063600000000, -0.0020246500000000, -0.0041198200000000 ] - [ -0.0014464300000000, 0.0007761600000000, -0.0052656300000000 ] - [ -0.0007922200000000, -0.0010039300000000, -0.0043500100000000 ] - [ 0.0009272600000000, 0.0010920200000000, 0.0009026200000000 ] - [ -0.0000558200000000, 0.0005878200000000, 0.0010087400000000 ] - [ 0.0005643600000000, -0.0009620800000000, 0.0012441200000000 ] - [ -0.0012638700000000, -0.0015700100000000, 0.0023388800000000 ] - [ 0.0002757300000000, 0.0008115300000000, 0.0013187000000000 ] - [ 0.0000292300000000, 0.0004527200000000, 0.0010258600000000 ] - [ -0.0004583600000000, 0.0003775200000000, 0.0013495700000000 ] - [ 0.0000546100000000, 0.0008122200000000, 0.0011943200000000 ] - [ -0.0003723000000000, -0.0035856300000000, 0.0015307700000000 ] - [ -0.0019642600000000, 0.0003628400000000, -0.0018565900000000 ] - [ 0.0035547200000000, 0.0058529200000000, 0.0001136900000000 ] - [ -0.0001608500000000, -0.0000685400000000, 0.0027182700000000 ] - [ -0.0019996000000000, 0.0012859800000000, -0.0024506000000000 ] - [ 0.0011671400000000, 0.0003866000000000, 0.0029416600000000 ] - [ -0.0009350500000000, 0.0005037100000000, 0.0024316100000000 ] - [ -0.0099075600000000, 0.0190203600000000, 0.0192875900000000 ] - [ 0.0008334400000000, -0.0009499500000000, 0.0028414900000000 ] - [ 0.0116681000000000, 0.0016053300000000, 0.0077312000000000 ] - [ -0.0004662000000000, -0.0007770400000000, 0.0015215300000000 ] - [ -0.0008586000000000, -0.0004524600000000, 0.0024125500000000 ] - [ -0.0001619000000000, 0.0009686700000000, -0.0045159600000000 ] - [ -0.0265127300000000, -0.0089214900000000, 0.0116020400000000 ] - [ 0.0000206000000000, 0.0004286500000000, 0.0028158600000000 ] - [ -0.0001313500000000, 0.0004375400000000, 0.0025347400000000 ] - [ -0.0012403900000000, -0.0021976900000000, 0.0035046300000000 ] - [ 0.0008182500000000, 0.0001398400000000, -0.0000004800000000 ] - [ -0.0000837400000000, 0.0001130500000000, -0.0011305500000000 ] - [ 0.0000336800000000, -0.0001792300000000, -0.0014228100000000 ] - [ -0.0007563700000000, 0.0000204100000000, -0.0016568900000000 ] - [ 0.0001935700000000, 0.0001962000000000, -0.0011900800000000 ] - [ -0.0024546300000000, -0.0000222900000000, 0.0050248300000000 ] - [ 0.0003024600000000, 0.0007142400000000, -0.0010299800000000 ] - [ -0.0237756200000000, -0.0030286700000000, 0.0184347900000000 ] - [ 0.0005538300000000, 0.0006904400000000, -0.0015101600000000 ] - [ -0.0026736400000000, 0.0007675300000000, 0.0025293800000000 ] - [ -0.0005031500000000, -0.0187403900000000, 0.0238527800000000 ] - [ 0.0067164700000000, 0.0015557600000000, 0.0046147300000000 ] - [ -0.0029333900000000, 0.0008631700000000, -0.0004004300000000 ] - [ -0.0006233500000000, 0.0004381500000000, -0.0010870800000000 ] - [ 0.0000870800000000, -0.0002884900000000, -0.0010944200000000 ] - [ 0.0000430200000000, 0.0002896300000000, -0.0011006300000000 ] - [ -0.0000381100000000, -0.0001075300000000, -0.0003949600000000 ] - [ 0.0000331500000000, 0.0001981500000000, -0.0009983100000000 ] - [ -0.0008774800000000, -0.0030099400000000, -0.0042580200000000 ] - [ 0.0012841100000000, 0.0001542900000000, 0.0007349700000000 ] - [ -0.0007933400000000, -0.0001907400000000, -0.0000915000000000 ] - [ -0.0008883900000000, -0.0015237700000000, 0.0004392100000000 ] - [ 0.0002608900000000, -0.0005000200000000, -0.0010504800000000 ] - [ 0.0008483100000000, 0.0001953900000000, 0.0007860600000000 ] - [ -0.0013975000000000, -0.0009139500000000, -0.0027445900000000 ] - [ 0.0055418600000000, -0.0016985000000000, -0.0046320600000000 ] - [ -0.0010477900000000, -0.0024624500000000, 0.0026744800000000 ] - [ -0.0000136300000000, -0.0002656900000000, -0.0015674900000000 ] - [ -0.0010799200000000, 0.0008824600000000, 0.0007354500000000 ] - [ 0.0004133700000000, -0.0002825000000000, -0.0006311100000000 ] - [ 0.0043988000000000, 0.0030946100000000, -0.0035555900000000 ] - [ -0.0026676300000000, -0.0003046300000000, 0.0026130800000000 ] - [ -0.0006313600000000, -0.0002389800000000, -0.0020392500000000 ] - [ 0.0004526900000000, -0.0000066100000000, -0.0008874200000000 ] - [ 0.0007985600000000, -0.0070632500000000, 0.0008477300000000 ] - [ -0.0004573100000000, 0.0008349800000000, -0.0003941600000000 ] - [ -0.0136454600000000, 0.0063670700000000, 0.0056166400000000 ] - [ 0.0009014000000000, -0.0001309300000000, -0.0010919800000000 ] - [ 0.0004442000000000, -0.0007938200000000, -0.0017992000000000 ] - [ -0.0002510500000000, -0.0002233000000000, -0.0012540700000000 ] - [ -0.0018812400000000, -0.0008958800000000, -0.0018540900000000 ] - [ 0.0005021900000000, -0.0006246400000000, -0.0015121300000000 ] - [ -0.0000125100000000, -0.0008488200000000, -0.0012140100000000 ] - [ -0.0002525000000000, -0.0003759800000000, -0.0009899200000000 ] - [ -0.0012186900000000, 0.0012216900000000, -0.0019201100000000 ] - [ -0.0001742000000000, 0.0002084600000000, 0.0008662400000000 ] - [ -0.0009938400000000, -0.0001420100000000, -0.0026481700000000 ] - [ 0.0020575400000000, -0.0006065500000000, 0.0017275600000000 ] - [ 0.0003482000000000, 0.0004111600000000, -0.0011563700000000 ] - [ 0.0013326200000000, 0.0005364400000000, 0.0013755900000000 ] - [ 0.0003780400000000, -0.0004886900000000, -0.0012385300000000 ] - [ -0.0003066600000000, 0.0002390500000000, -0.0010079400000000 ] - [ 0.0009488200000000, -0.0011354800000000, 0.0006237100000000 ] - [ 0.0004968800000000, 0.0015380700000000, -0.0013117500000000 ] - [ -0.0013509900000000, 0.0044766100000000, 0.0046315400000000 ] - [ 0.0046407400000000, -0.0016925600000000, -0.0035084200000000 ] - [ 0.0020530900000000, -0.0014482100000000, 0.0032914900000000 ] - [ 0.0000682400000000, -0.0007036700000000, -0.0008357200000000 ] - [ 0.0003859000000000, 0.0009188800000000, -0.0007746200000000 ] - [ 0.0001925300000000, 0.0007518300000000, -0.0014135700000000 ] - [ 0.0000830000000000, 0.0001216400000000, -0.0012567500000000 ] - [ 0.0001710700000000, -0.0005530900000000, 0.0022582400000000 ] - [ 0.0004247600000000, -0.0006092000000000, 0.0003270100000000 ] - [ 0.0010213000000000, 0.0008789400000000, 0.0006738100000000 ] - [ -0.0002035600000000, 0.0000614000000000, -0.0013301200000000 ] - [ 0.0001119700000000, 0.0008761800000000, -0.0017985000000000 ] - [ -0.0005640300000000, 0.0006137400000000, -0.0021201500000000 ] - [ 0.0004871900000000, 0.0010384500000000, 0.0025729800000000 ] - [ -0.0005160000000000, 0.0004690500000000, -0.0009957300000000 ] - [ 0.0006756600000000, -0.0001952200000000, -0.0009880100000000 ] - [ 0.0007007800000000, -0.0004844000000000, -0.0010604600000000 ]- atom: 4 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ 0.0068860500000000, 0.0066572200000000, 0.0092476100000000 ] - [ -0.0004984000000000, 0.0003297200000000, -0.0027791700000000 ] - [ 0.0047937300000000, -0.0007782800000000, 0.0040568600000000 ] - [ -0.0592444700000000, -0.0047441200000000, 0.0801380800000000 ] - [ 0.0020151800000000, 0.0006115700000000, -0.0008785200000000 ] - [ -0.0000428800000000, -0.0007562200000000, -0.0008645900000000 ] - [ -0.0006302700000000, -0.0015102900000000, -0.0003813500000000 ] - [ -0.0003315000000000, -0.0014995900000000, -0.0024710700000000 ] - [ -0.0002442600000000, 0.0008797100000000, -0.0020596000000000 ] - [ -0.0001174900000000, 0.0001387800000000, -0.0018430200000000 ] - [ -0.0086938800000000, 0.0019805000000000, -0.0059332900000000 ] - [ 0.0002751200000000, -0.0017994100000000, -0.0024978600000000 ] - [ -0.0003605500000000, 0.0003731100000000, -0.0020086100000000 ] - [ 0.0020204300000000, -0.0021011800000000, -0.0001196600000000 ] - [ -0.0013783400000000, -0.0042330600000000, 0.0056110500000000 ] - [ 0.0008675700000000, -0.0007765300000000, -0.0009183500000000 ] - [ 0.0022815900000000, 0.0001348200000000, -0.0014870500000000 ] - [ -0.0003101700000000, 0.0012235100000000, -0.0020748300000000 ] - [ -0.0002706500000000, 0.0002065300000000, -0.0017882400000000 ] - [ -0.0009209600000000, 0.0004167700000000, -0.0002908000000000 ] - [ 0.0029261600000000, -0.0044230800000000, 0.0011365200000000 ] - [ -0.0038829600000000, 0.0003710500000000, 0.0039960300000000 ] - [ 0.0012176600000000, -0.0014968500000000, 0.0047781400000000 ] - [ 0.0006580700000000, 0.0013020000000000, 0.0040330700000000 ] - [ -0.0014564600000000, -0.0001247400000000, -0.0003256000000000 ] - [ 0.0003450900000000, 0.0006040600000000, -0.0020120600000000 ] - [ -0.0004223700000000, 0.0012652500000000, -0.0009331400000000 ] - [ 0.0010303500000000, 0.0009373400000000, -0.0017073300000000 ] - [ 0.0002582600000000, 0.0001457800000000, -0.0018989200000000 ] - [ 0.0002089100000000, 0.0001796800000000, -0.0016581000000000 ] - [ -0.0002682700000000, 0.0004668600000000, -0.0019433300000000 ] - [ 0.0001650700000000, 0.0008293000000000, -0.0013567000000000 ] - [ 0.0011987900000000, 0.0028053600000000, -0.0008916000000000 ] - [ 0.0000198100000000, 0.0002862800000000, 0.0016915600000000 ] - [ -0.0036825900000000, -0.0055932500000000, 0.0008248800000000 ] - [ -0.0000245000000000, -0.0002461300000000, -0.0017184400000000 ] - [ 0.0003582800000000, 0.0005740500000000, 0.0008226900000000 ] - [ 0.0007634900000000, 0.0002612100000000, -0.0027862600000000 ] - [ 0.0001080400000000, 0.0003019700000000, -0.0030731100000000 ] - [ 0.0092617900000000, -0.0199291000000000, -0.0200916800000000 ] - [ 0.0008116800000000, -0.0009131100000000, -0.0012070700000000 ] - [ -0.0100374100000000, 0.0001896800000000, -0.0060476200000000 ] - [ -0.0011776200000000, -0.0010826200000000, -0.0031584500000000 ] - [ -0.0010777400000000, -0.0001920600000000, -0.0025695100000000 ] - [ 0.0020806100000000, -0.0016151600000000, 0.0046759800000000 ] - [ 0.0265680000000000, 0.0084210000000000, -0.0124441600000000 ] - [ 0.0008030300000000, 0.0003826000000000, -0.0021708700000000 ] - [ 0.0003184500000000, -0.0001232100000000, -0.0035350000000000 ] - [ 0.0007003000000000, 0.0017514100000000, -0.0035092000000000 ] - [ 0.0003832400000000, -0.0002403700000000, -0.0005867600000000 ] - [ 0.0008029600000000, 0.0000552800000000, 0.0022226900000000 ] - [ 0.0001629300000000, -0.0003268200000000, 0.0014391100000000 ] - [ 0.0000325300000000, -0.0001883600000000, 0.0005590600000000 ] - [ -0.0000331900000000, 0.0002656400000000, 0.0009313500000000 ] - [ 0.0028532300000000, -0.0001695200000000, -0.0052774400000000 ] - [ 0.0000709600000000, 0.0005962000000000, 0.0019461400000000 ] - [ 0.0257386700000000, 0.0023786300000000, -0.0198974500000000 ] - [ 0.0006450900000000, -0.0005890600000000, 0.0009226500000000 ] - [ 0.0028571400000000, -0.0002586900000000, -0.0025162600000000 ] - [ -0.0006274200000000, 0.0169006800000000, -0.0225784500000000 ] - [ -0.0059841500000000, -0.0017157000000000, -0.0035094600000000 ] - [ 0.0024377600000000, -0.0025949100000000, 0.0013112700000000 ] - [ -0.0000747000000000, -0.0003833300000000, 0.0007330300000000 ] - [ 0.0001086000000000, 0.0008159700000000, 0.0009599800000000 ] - [ -0.0005533200000000, 0.0002682800000000, 0.0009465200000000 ] - [ 0.0008498300000000, -0.0002614200000000, 0.0021403400000000 ] - [ 0.0000961100000000, 0.0002990800000000, 0.0012728800000000 ] - [ 0.0012512200000000, 0.0017200900000000, 0.0051957600000000 ] - [ -0.0017236000000000, 0.0002333700000000, -0.0018044000000000 ] - [ 0.0000782400000000, 0.0003791500000000, -0.0009701100000000 ] - [ 0.0018667100000000, 0.0021497700000000, -0.0003995100000000 ] - [ 0.0004339000000000, 0.0005546200000000, 0.0014046600000000 ] - [ -0.0003372900000000, 0.0003607900000000, -0.0006301000000000 ] - [ 0.0012569100000000, 0.0014063100000000, 0.0024603700000000 ] - [ -0.0059848900000000, 0.0022882000000000, 0.0047422500000000 ] - [ 0.0012022100000000, 0.0020064100000000, -0.0029312500000000 ] - [ -0.0001434900000000, 0.0006771900000000, 0.0006610200000000 ] - [ 0.0015459500000000, -0.0002909700000000, -0.0008647900000000 ] - [ -0.0003568000000000, -0.0002949200000000, 0.0008535200000000 ] - [ -0.0038802100000000, -0.0026269300000000, 0.0035629100000000 ] - [ 0.0021604200000000, -0.0002554000000000, -0.0027635700000000 ] - [ -0.0001831100000000, -0.0001272600000000, 0.0002947200000000 ] - [ -0.0006140200000000, -0.0004523900000000, 0.0011442700000000 ] - [ -0.0009545400000000, 0.0066819400000000, -0.0017531100000000 ] - [ -0.0000530600000000, 0.0009064800000000, 0.0013129500000000 ] - [ 0.0138857300000000, -0.0068852700000000, -0.0054728400000000 ] - [ -0.0004471700000000, -0.0004685700000000, 0.0009712400000000 ] - [ 0.0000905600000000, 0.0003208400000000, 0.0017977900000000 ] - [ -0.0002866600000000, 0.0006964700000000, 0.0012562000000000 ] - [ 0.0011766900000000, 0.0008363300000000, 0.0014723200000000 ] - [ -0.0004432500000000, 0.0011964600000000, 0.0017284800000000 ] - [ -0.0001819300000000, 0.0003197700000000, 0.0013439900000000 ] - [ 0.0000531600000000, -0.0001321500000000, 0.0009780400000000 ] - [ 0.0010553100000000, -0.0007560100000000, 0.0021813600000000 ] - [ -0.0000265000000000, 0.0002981800000000, -0.0008859900000000 ] - [ 0.0005502400000000, -0.0002409800000000, 0.0015800300000000 ] - [ -0.0013694800000000, 0.0005555100000000, -0.0013793900000000 ] - [ 0.0001266800000000, -0.0002534800000000, 0.0009643300000000 ] - [ -0.0005243700000000, -0.0001702500000000, 0.0003649200000000 ] - [ -0.0008339700000000, -0.0001082000000000, 0.0013584200000000 ] - [ 0.0007507600000000, 0.0001445900000000, 0.0020768100000000 ] - [ -0.0004435500000000, -0.0006046900000000, -0.0015432600000000 ] - [ -0.0003482900000000, -0.0019581600000000, 0.0022261900000000 ] - [ 0.0003962200000000, -0.0043052600000000, -0.0064920600000000 ] - [ -0.0050964300000000, 0.0018623000000000, 0.0036804000000000 ] - [ -0.0022468000000000, 0.0019768000000000, -0.0031657300000000 ] - [ -0.0002028100000000, 0.0002056800000000, 0.0005579800000000 ] - [ -0.0002298800000000, -0.0005085000000000, 0.0016822300000000 ] - [ -0.0002510100000000, -0.0001727400000000, 0.0011898100000000 ] - [ -0.0005605000000000, -0.0002780500000000, 0.0014497400000000 ] - [ 0.0002842500000000, 0.0001747700000000, -0.0011869400000000 ] - [ -0.0002277400000000, 0.0000755300000000, -0.0004534800000000 ] - [ -0.0014012000000000, -0.0021901100000000, -0.0015995500000000 ] - [ -0.0007982900000000, 0.0005703100000000, 0.0013067300000000 ] - [ 0.0003962900000000, 0.0008619100000000, 0.0008799200000000 ] - [ 0.0001882100000000, 0.0006930300000000, 0.0011991300000000 ] - [ -0.0016820400000000, -0.0009339700000000, -0.0019865500000000 ] - [ -0.0006830100000000, -0.0005702000000000, 0.0015826500000000 ] - [ -0.0001659800000000, -0.0003626700000000, 0.0011404200000000 ] - [ 0.0002981800000000, -0.0001463800000000, 0.0010835800000000 ]- atom: 6 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ -0.0000488700000000, -0.0002117500000000, -0.0002918200000000 ] - [ 0.0042215900000000, 0.0006060800000000, 0.0008802800000000 ] - [ 0.0000829200000000, -0.0003437300000000, -0.0003941000000000 ] - [ -0.0001551000000000, -0.0002597300000000, -0.0003046500000000 ] - [ -0.0000694100000000, 0.0003656400000000, 0.0001294100000000 ] - [ -0.1065321000000000, -0.0193174400000000, 0.0301316300000000 ] - [ -0.0028514700000000, -0.0038367200000000, 0.0025095500000000 ] - [ 0.0042160200000000, -0.0013629800000000, 0.0003009200000000 ] - [ 0.0003023800000000, 0.0006558600000000, -0.0002141300000000 ] - [ 0.0033027800000000, -0.0012015700000000, -0.0003385800000000 ] - [ -0.0000569500000000, 0.0005769300000000, 0.0004093200000000 ] - [ 0.0003711400000000, 0.0003516200000000, 0.0000759600000000 ] - [ -0.0014246600000000, 0.0034146400000000, -0.0026982900000000 ] - [ -0.0018731600000000, -0.0004688100000000, -0.0051916200000000 ] - [ 0.0003574900000000, -0.0005410000000000, -0.0002523300000000 ] - [ 0.0012054400000000, 0.0037525700000000, -0.0023977900000000 ] - [ -0.0001430600000000, 0.0002303900000000, -0.0000820400000000 ] - [ -0.0000812800000000, 0.0003477200000000, 0.0000537600000000 ] - [ -0.0015448100000000, -0.0019003800000000, -0.0017802900000000 ] - [ 0.0002564800000000, -0.0000640000000000, 0.0001980800000000 ] - [ 0.0001060200000000, -0.0005714600000000, -0.0005509700000000 ] - [ 0.0000537500000000, -0.0005877600000000, 0.0000467500000000 ] - [ -0.0000551200000000, -0.0004089100000000, -0.0004987600000000 ] - [ -0.0003090500000000, 0.0000160500000000, -0.0002812400000000 ] - [ -0.0000784900000000, 0.0003358800000000, 0.0002778900000000 ] - [ 0.0011902200000000, 0.0012515400000000, -0.0004485200000000 ] - [ -0.0018609700000000, 0.0035754800000000, 0.0039413100000000 ] - [ 0.0002568200000000, -0.0034566800000000, -0.0037338000000000 ] - [ 0.0038843500000000, 0.0012002100000000, -0.0003910400000000 ] - [ -0.0010791900000000, -0.0009205700000000, 0.0007972000000000 ] - [ -0.0038276200000000, 0.0054632100000000, 0.0075482200000000 ] - [ 0.0000357200000000, 0.0012207100000000, 0.0007322900000000 ] - [ 0.0010550700000000, -0.0005443100000000, -0.0002456600000000 ] - [ -0.0010475400000000, 0.0003170000000000, -0.0002522600000000 ] - [ 0.0000234300000000, 0.0001571100000000, 0.0002922000000000 ] - [ -0.0028264700000000, 0.0006196800000000, 0.0015570500000000 ] - [ -0.0012700900000000, 0.0012636200000000, -0.0013017200000000 ] - [ 0.0328191600000000, -0.0002156000000000, -0.0072392500000000 ] - [ -0.0014192900000000, -0.0001633600000000, -0.0016984100000000 ] - [ 0.0011976700000000, -0.0001043100000000, -0.0009004700000000 ] - [ 0.0020196900000000, -0.0006371700000000, 0.0020662400000000 ] - [ 0.0005292400000000, 0.0029319600000000, 0.0038462200000000 ] - [ -0.0002125900000000, -0.0005725900000000, -0.0014317500000000 ] - [ 0.0010573700000000, 0.0000202500000000, -0.0006008200000000 ] - [ 0.0009598300000000, -0.0003271000000000, -0.0001136500000000 ] - [ 0.0000349700000000, -0.0001398400000000, -0.0006473900000000 ] - [ -0.0003465100000000, 0.0004251100000000, -0.0000952800000000 ] - [ 0.0334574200000000, -0.0018453900000000, -0.0004243600000000 ] - [ -0.0003279600000000, -0.0002688900000000, 0.0001172000000000 ] - [ 0.0006440100000000, -0.0000527200000000, -0.0002676500000000 ] - [ -0.0074063300000000, 0.0007055600000000, -0.0028606900000000 ] - [ -0.0008469700000000, -0.0001802400000000, -0.0002002800000000 ] - [ 0.0007433900000000, -0.0006518200000000, -0.0008942800000000 ] - [ -0.0004637900000000, 0.0004506800000000, -0.0004634700000000 ] - [ 0.0001775800000000, -0.0000367100000000, 0.0000264100000000 ] - [ 0.0006826700000000, 0.0007110600000000, 0.0007355800000000 ] - [ -0.0004559700000000, -0.0002682200000000, 0.0001224600000000 ] - [ -0.0003774900000000, -0.0012924700000000, -0.0006703200000000 ] - [ 0.0010463600000000, 0.0000941100000000, -0.0001279600000000 ] - [ -0.0005215200000000, -0.0003228300000000, -0.0000037400000000 ] - [ 0.0004416500000000, -0.0000763700000000, 0.0006199700000000 ] - [ 0.0002819500000000, -0.0014402500000000, 0.0000753600000000 ] - [ -0.0006256400000000, 0.0003072300000000, -0.0007193300000000 ] - [ -0.0007818600000000, 0.0011315300000000, -0.0002710900000000 ] - [ 0.0381680000000000, 0.0115192800000000, -0.0403509000000000 ] - [ 0.0004744800000000, -0.0002787800000000, 0.0012259400000000 ] - [ -0.0012233000000000, -0.0013511300000000, -0.0012938200000000 ] - [ -0.0009969200000000, -0.0008114300000000, 0.0001258300000000 ] - [ -0.0001330700000000, 0.0001893600000000, -0.0004270200000000 ] - [ -0.0003761200000000, 0.0000892800000000, -0.0004382400000000 ] - [ 0.0004406800000000, 0.0002953700000000, 0.0001327400000000 ] - [ -0.0001943500000000, 0.0005212900000000, 0.0008201400000000 ] - [ 0.0003198500000000, 0.0002775900000000, 0.0001204300000000 ] - [ -0.0002405400000000, 0.0002766500000000, 0.0000198900000000 ] - [ -0.0008186900000000, 0.0004410200000000, 0.0008146600000000 ] - [ 0.0001640100000000, -0.0001615400000000, -0.0001189600000000 ] - [ 0.0009687200000000, 0.0002589600000000, 0.0005542200000000 ] - [ -0.0003381900000000, 0.0004231300000000, 0.0001108600000000 ] - [ -0.0004601600000000, -0.0007642000000000, 0.0008720800000000 ] - [ 0.0002940300000000, 0.0001953200000000, 0.0001142900000000 ] - [ -0.0003188700000000, -0.0002713300000000, 0.0000095200000000 ] - [ -0.0008807100000000, 0.0002310700000000, -0.0032569500000000 ] - [ 0.0065063400000000, -0.0053869800000000, -0.0049209300000000 ] - [ -0.0003847300000000, -0.0002385900000000, -0.0003501000000000 ] - [ -0.0004393600000000, 0.0007135200000000, 0.0000323800000000 ] - [ 0.0001463300000000, -0.0003127800000000, 0.0000828400000000 ] - [ 0.0007335400000000, -0.0003332800000000, -0.0001869300000000 ] - [ -0.0053386300000000, 0.0019304000000000, 0.0026821700000000 ] - [ 0.0016177500000000, -0.0001090500000000, -0.0003547300000000 ] - [ -0.0003396400000000, 0.0002655900000000, -0.0025715100000000 ] - [ 0.0001811700000000, 0.0002999000000000, 0.0002972700000000 ] - [ -0.0063175000000000, 0.0031965600000000, 0.0037118100000000 ] - [ -0.0006904700000000, -0.0003612100000000, 0.0001497100000000 ] - [ -0.0002883900000000, 0.0002055000000000, 0.0001940600000000 ] - [ 0.0007266000000000, 0.0001223200000000, 0.0000178000000000 ] - [ -0.0088662600000000, -0.0000739600000000, -0.0040304800000000 ] - [ 0.0005082400000000, -0.0001204700000000, 0.0003725000000000 ] - [ 0.0031820400000000, -0.0004506300000000, -0.0003040400000000 ] - [ 0.0005881000000000, -0.0000110700000000, 0.0010489500000000 ] - [ -0.0001377100000000, -0.0001819100000000, 0.0004178700000000 ] - [ 0.0004405600000000, -0.0000783700000000, 0.0004412600000000 ] - [ 0.0003561300000000, -0.0011386000000000, 0.0000414200000000 ] - [ -0.0005271900000000, 0.0003566000000000, 0.0010647500000000 ] - [ -0.0007519100000000, -0.0000693200000000, -0.0014781000000000 ] - [ -0.0002222000000000, 0.0001030000000000, 0.0001739900000000 ] - [ -0.0000680100000000, 0.0002127100000000, 0.0001743600000000 ] - [ 0.0091878800000000, 0.0113938100000000, -0.0072885500000000 ] - [ 0.0002626000000000, 0.0001760400000000, 0.0006218100000000 ] - [ 0.0013765200000000, 0.0004866500000000, 0.0002803500000000 ] - [ -0.0065709300000000, -0.0025527400000000, 0.0025218900000000 ] - [ 0.0002661000000000, -0.0001903200000000, 0.0006911000000000 ] - [ 0.0001497800000000, -0.0002493300000000, -0.0000398300000000 ] - [ -0.0001656300000000, -0.0006561300000000, -0.0000893200000000 ] - [ 0.0224095300000000, -0.0020921100000000, 0.0265532900000000 ] - [ -0.0000240700000000, 0.0005498400000000, 0.0004047100000000 ] - [ 0.0002085500000000, 0.0005615200000000, -0.0000329500000000 ] - [ -0.0005867000000000, 0.0001158800000000, 0.0004206400000000 ] - [ -0.0081077600000000, -0.0037994100000000, 0.0044071700000000 ] - [ -0.0015757700000000, -0.0004368600000000, 0.0003420000000000 ] - [ 0.0016129900000000, -0.0008323700000000, -0.0007448100000000 ]- atom: 6 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ -0.0000937600000000, -0.0002865500000000, 0.0002269000000000 ] - [ -0.0040097900000000, -0.0013097000000000, -0.0003823500000000 ] - [ 0.0004464200000000, -0.0006149700000000, -0.0001941600000000 ] - [ -0.0005709600000000, -0.0005819800000000, -0.0002883000000000 ] - [ 0.0002944900000000, 0.0003473900000000, 0.0003715100000000 ] - [ 0.1052681300000000, 0.0176147400000000, -0.0246194000000000 ] - [ 0.0022743600000000, 0.0028886000000000, -0.0019500800000000 ] - [ -0.0040637600000000, 0.0008559700000000, -0.0002087500000000 ] - [ -0.0005242600000000, 0.0009835000000000, 0.0003728200000000 ] - [ -0.0034522200000000, 0.0009031700000000, 0.0000261600000000 ] - [ -0.0002328300000000, 0.0006135100000000, 0.0005934000000000 ] - [ 0.0003547400000000, 0.0004917200000000, 0.0005175900000000 ] - [ 0.0012064000000000, -0.0027012700000000, 0.0022101100000000 ] - [ 0.0016868900000000, -0.0011618200000000, 0.0052844800000000 ] - [ -0.0001184100000000, -0.0000908200000000, -0.0003783500000000 ] - [ -0.0004618600000000, -0.0046239100000000, 0.0030034200000000 ] - [ 0.0002885600000000, 0.0002683500000000, 0.0001463200000000 ] - [ -0.0001581800000000, 0.0002832200000000, 0.0005803000000000 ] - [ 0.0013844300000000, 0.0023962100000000, 0.0016984200000000 ] - [ -0.0001161000000000, -0.0002389200000000, 0.0001079000000000 ] - [ 0.0001842500000000, -0.0006187300000000, -0.0004523200000000 ] - [ 0.0001645700000000, -0.0010506400000000, -0.0002058100000000 ] - [ -0.0001670900000000, -0.0003043400000000, -0.0000031700000000 ] - [ 0.0001672200000000, 0.0002873200000000, -0.0000291700000000 ] - [ -0.0004511700000000, 0.0006220300000000, 0.0003063500000000 ] - [ -0.0008961600000000, -0.0000612700000000, -0.0005605300000000 ] - [ 0.0019692200000000, -0.0032893500000000, -0.0036432300000000 ] - [ -0.0004771300000000, 0.0028397200000000, 0.0043847000000000 ] - [ -0.0033494400000000, -0.0002443500000000, -0.0001916100000000 ] - [ 0.0013225400000000, 0.0015538100000000, -0.0014274100000000 ] - [ 0.0031166800000000, -0.0046278100000000, -0.0081483000000000 ] - [ 0.0001865100000000, 0.0004199600000000, -0.0008947100000000 ] - [ -0.0002221400000000, -0.0002607600000000, 0.0008956300000000 ] - [ -0.0008934900000000, 0.0003295600000000, 0.0000951000000000 ] - [ -0.0002086100000000, 0.0001566400000000, 0.0007071800000000 ] - [ 0.0026547300000000, -0.0009227600000000, -0.0005641600000000 ] - [ -0.0003769000000000, 0.0006039700000000, -0.0003371400000000 ] - [ -0.0307363100000000, 0.0009123800000000, 0.0071968600000000 ] - [ 0.0005886900000000, 0.0009699100000000, 0.0010546700000000 ] - [ -0.0020181500000000, -0.0007011800000000, 0.0002663100000000 ] - [ -0.0003715000000000, -0.0012235400000000, -0.0004340900000000 ] - [ 0.0011018000000000, -0.0010512700000000, -0.0021893000000000 ] - [ -0.0014355600000000, -0.0012912600000000, -0.0002044600000000 ] - [ -0.0029989300000000, -0.0006700400000000, 0.0004241900000000 ] - [ 0.0009816900000000, -0.0003206100000000, 0.0002725600000000 ] - [ 0.0001497200000000, -0.0001742700000000, -0.0003514900000000 ] - [ 0.0011782800000000, 0.0003812000000000, 0.0007380400000000 ] - [ -0.0334968400000000, 0.0021771700000000, -0.0007401700000000 ] - [ -0.0002090900000000, -0.0002046200000000, -0.0001142600000000 ] - [ 0.0005541400000000, -0.0000486900000000, -0.0003225100000000 ] - [ 0.0080987500000000, -0.0005346300000000, 0.0039585400000000 ] - [ 0.0010470700000000, -0.0003265300000000, 0.0002144000000000 ] - [ -0.0014609400000000, 0.0004824600000000, -0.0002046800000000 ] - [ 0.0006239900000000, 0.0000119600000000, 0.0002034600000000 ] - [ 0.0002985000000000, -0.0001199700000000, -0.0002177700000000 ] - [ -0.0003082800000000, 0.0005976100000000, 0.0001852300000000 ] - [ 0.0003967600000000, -0.0003108000000000, -0.0003501700000000 ] - [ 0.0015804000000000, 0.0013891700000000, 0.0000800500000000 ] - [ -0.0008356300000000, 0.0004109900000000, 0.0001476700000000 ] - [ -0.0004817400000000, -0.0003090500000000, -0.0000212600000000 ] - [ 0.0002816300000000, -0.0000915700000000, 0.0004765600000000 ] - [ -0.0007850500000000, -0.0003035700000000, 0.0008406100000000 ] - [ -0.0000700200000000, -0.0002550100000000, 0.0003652600000000 ] - [ 0.0009838600000000, -0.0005940700000000, 0.0001399800000000 ] - [ -0.0368017400000000, -0.0103957300000000, 0.0380905600000000 ] - [ 0.0003390200000000, -0.0000884800000000, 0.0005160400000000 ] - [ 0.0013521700000000, 0.0018481000000000, 0.0015687900000000 ] - [ 0.0013678900000000, -0.0004982500000000, 0.0007861300000000 ] - [ -0.0003141300000000, 0.0001951100000000, -0.0006478600000000 ] - [ -0.0003474100000000, 0.0000796100000000, -0.0006615800000000 ] - [ 0.0005626900000000, 0.0003365700000000, -0.0001102200000000 ] - [ 0.0008897400000000, -0.0004690600000000, -0.0004683500000000 ] - [ 0.0001888500000000, 0.0002803400000000, 0.0000310100000000 ] - [ 0.0001095500000000, 0.0002203000000000, -0.0002958300000000 ] - [ 0.0003479400000000, 0.0001580400000000, -0.0006925800000000 ] - [ -0.0000010100000000, -0.0003000300000000, -0.0001428000000000 ] - [ -0.0011252000000000, 0.0001513000000000, -0.0014640100000000 ] - [ 0.0007967900000000, 0.0001742500000000, -0.0002364000000000 ] - [ 0.0005149000000000, 0.0001893800000000, -0.0006528000000000 ] - [ 0.0002442100000000, 0.0002798700000000, -0.0001219900000000 ] - [ -0.0001851500000000, -0.0002859300000000, -0.0001637500000000 ] - [ 0.0000655800000000, -0.0005987000000000, 0.0015105300000000 ] - [ -0.0065295400000000, 0.0045628600000000, 0.0049028400000000 ] - [ 0.0002269900000000, -0.0001707400000000, -0.0005618300000000 ] - [ -0.0000700300000000, 0.0010267400000000, 0.0008850000000000 ] - [ -0.0000139200000000, -0.0001844800000000, 0.0001892000000000 ] - [ -0.0002778600000000, -0.0002640700000000, 0.0000638500000000 ] - [ 0.0058820800000000, -0.0024051900000000, -0.0026924700000000 ] - [ -0.0021564500000000, 0.0005825100000000, 0.0003556700000000 ] - [ -0.0003443200000000, -0.0003146100000000, 0.0021983700000000 ] - [ -0.0001231300000000, 0.0002767000000000, -0.0000752800000000 ] - [ 0.0061348900000000, -0.0037404900000000, -0.0035781500000000 ] - [ 0.0004938100000000, -0.0001445200000000, -0.0001666100000000 ] - [ 0.0001295000000000, 0.0002564400000000, 0.0000638200000000 ] - [ -0.0009211400000000, 0.0003833600000000, -0.0000339200000000 ] - [ 0.0084052900000000, -0.0003170500000000, 0.0029743500000000 ] - [ 0.0001874800000000, 0.0000678600000000, -0.0000192800000000 ] - [ -0.0027087800000000, 0.0005925400000000, 0.0001034900000000 ] - [ 0.0002210600000000, 0.0003754800000000, 0.0006975200000000 ] - [ -0.0003179100000000, -0.0004156700000000, -0.0002988400000000 ] - [ 0.0000125000000000, 0.0004641900000000, 0.0006360700000000 ] - [ 0.0001521700000000, -0.0006075900000000, -0.0009515300000000 ] - [ 0.0006825700000000, -0.0007689600000000, -0.0001615600000000 ] - [ -0.0000606900000000, 0.0004343600000000, -0.0002728200000000 ] - [ -0.0002532100000000, 0.0000536100000000, 0.0000145400000000 ] - [ -0.0001257100000000, 0.0003169200000000, -0.0000435000000000 ] - [ -0.0091140400000000, -0.0117207600000000, 0.0069638800000000 ] - [ -0.0001064700000000, 0.0002351500000000, 0.0002848700000000 ] - [ -0.0014327500000000, 0.0000924500000000, -0.0005071600000000 ] - [ 0.0061060300000000, 0.0023981000000000, -0.0023293800000000 ] - [ 0.0001800200000000, -0.0001935900000000, 0.0003794800000000 ] - [ 0.0000442200000000, -0.0002822700000000, -0.0000921700000000 ] - [ -0.0002117200000000, -0.0006518600000000, -0.0008366600000000 ] - [ -0.0246265400000000, 0.0027871600000000, -0.0281023600000000 ] - [ 0.0005332100000000, 0.0011920800000000, -0.0013268100000000 ] - [ -0.0005810600000000, 0.0007467900000000, -0.0008906200000000 ] - [ -0.0006127700000000, -0.0000120600000000, 0.0001693700000000 ] - [ 0.0069447300000000, 0.0037190300000000, -0.0038336000000000 ] - [ 0.0020836000000000, -0.0001203400000000, -0.0001856500000000 ] - [ -0.0006198900000000, 0.0002016000000000, 0.0007694500000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000075000000000, -0.0000555100000000, 0.0000288800000000 ] - [ 0.0000748000000000, -0.0002341700000000, 0.0009005400000000 ] - [ 0.0002405800000000, -0.0003733700000000, 0.0000842300000000 ] - [ -0.0004172100000000, -0.0004730100000000, -0.0001453200000000 ] - [ 0.0001059200000000, 0.0003476900000000, 0.0002339800000000 ] - [ -0.0182230200000000, -0.0742874200000000, 0.0044319600000000 ] - [ -0.0101634300000000, 0.0084632900000000, -0.0039041300000000 ] - [ 0.0002235600000000, -0.0011753900000000, 0.0000951700000000 ] - [ -0.0001375500000000, 0.0008008800000000, -0.0000037100000000 ] - [ 0.0001110300000000, -0.0000233600000000, -0.0003832900000000 ] - [ -0.0001269300000000, 0.0005871700000000, 0.0004714800000000 ] - [ 0.0003431600000000, 0.0004207900000000, 0.0002769600000000 ] - [ 0.0002619600000000, 0.0010562300000000, -0.0009308600000000 ] - [ -0.0002661800000000, -0.0147790800000000, -0.0057273400000000 ] - [ -0.0000624600000000, -0.0004681300000000, -0.0004032400000000 ] - [ 0.0089901900000000, 0.0068514400000000, 0.0004412000000000 ] - [ 0.0000696000000000, 0.0002427100000000, 0.0000073900000000 ] - [ -0.0001477200000000, 0.0003169100000000, 0.0003041300000000 ] - [ -0.0019071000000000, -0.0001530900000000, 0.0009486100000000 ] - [ 0.0000919800000000, -0.0001457500000000, 0.0001169100000000 ] - [ 0.0001209700000000, -0.0004495300000000, -0.0005575600000000 ] - [ -0.0000609900000000, -0.0000770200000000, 0.0000453200000000 ] - [ 0.0002637500000000, -0.0004670800000000, -0.0004448600000000 ] - [ -0.0005450200000000, -0.0004976900000000, -0.0006014600000000 ] - [ -0.0002496500000000, 0.0004869500000000, 0.0002487200000000 ] - [ 0.0007957900000000, 0.0009219700000000, 0.0000134100000000 ] - [ 0.0081310100000000, 0.0115380100000000, 0.0043261100000000 ] - [ -0.0087331000000000, 0.0043656300000000, 0.0043071900000000 ] - [ 0.0007608400000000, 0.0002971200000000, -0.0005294400000000 ] - [ -0.0002168900000000, 0.0004675100000000, -0.0009548700000000 ] - [ 0.0016720900000000, -0.0012036800000000, 0.0023215100000000 ] - [ 0.0002005500000000, 0.0009278500000000, 0.0000321900000000 ] - [ 0.0006285800000000, 0.0012640100000000, -0.0002051500000000 ] - [ -0.0009717000000000, 0.0003457900000000, -0.0001870600000000 ] - [ -0.0000854700000000, 0.0002096300000000, 0.0004543600000000 ] - [ -0.0006089400000000, 0.0107599500000000, 0.0005068100000000 ] - [ -0.0007264900000000, 0.0058888600000000, -0.0013403500000000 ] - [ 0.0033726700000000, 0.0010214000000000, -0.0003324200000000 ] - [ -0.0005549200000000, -0.0002642700000000, -0.0003930700000000 ] - [ -0.0010904600000000, -0.0006467000000000, -0.0002383700000000 ] - [ 0.0008932700000000, -0.0010285100000000, 0.0006821400000000 ] - [ 0.0022447700000000, -0.0036653900000000, 0.0005922600000000 ] - [ -0.0008705400000000, -0.0008783200000000, -0.0008990300000000 ] - [ -0.0010768900000000, 0.0026332700000000, -0.0002005000000000 ] - [ 0.0009985100000000, -0.0005267600000000, 0.0000425200000000 ] - [ 0.0001005600000000, -0.0001762900000000, -0.0005031400000000 ] - [ 0.0005005600000000, 0.0005043900000000, 0.0004600200000000 ] - [ -0.0007906100000000, -0.0054668700000000, -0.0005552900000000 ] - [ -0.0002527200000000, -0.0002200400000000, 0.0000079900000000 ] - [ 0.0005881800000000, -0.0000461400000000, -0.0002598800000000 ] - [ 0.0002480600000000, 0.0003099600000000, 0.0006424600000000 ] - [ 0.0000218400000000, -0.0002528500000000, 0.0001254000000000 ] - [ 0.0000672300000000, -0.0058486000000000, -0.0004389100000000 ] - [ 0.0001124600000000, 0.0000073000000000, -0.0002056100000000 ] - [ 0.0002202600000000, -0.0001403300000000, -0.0001294800000000 ] - [ 0.0001864700000000, 0.0007660800000000, 0.0004453800000000 ] - [ 0.0001826000000000, -0.0004516500000000, -0.0003600000000000 ] - [ -0.0002550300000000, -0.0017500900000000, 0.0003248500000000 ] - [ -0.0006505500000000, 0.0020451000000000, -0.0010116500000000 ] - [ -0.0004999000000000, -0.0003135300000000, 0.0000090200000000 ] - [ 0.0003480800000000, -0.0000642600000000, 0.0004619500000000 ] - [ -0.0020655000000000, 0.0001363900000000, -0.0013442200000000 ] - [ -0.0003719300000000, 0.0000013000000000, -0.0001126300000000 ] - [ 0.0010398800000000, -0.0009713900000000, -0.0005628200000000 ] - [ 0.0151248600000000, 0.0018202000000000, -0.0146447300000000 ] - [ 0.0004614500000000, -0.0001859300000000, 0.0009246000000000 ] - [ -0.0003646100000000, 0.0005426700000000, 0.0000237500000000 ] - [ 0.0006344300000000, -0.0001309000000000, 0.0004681600000000 ] - [ -0.0002011100000000, 0.0002268200000000, -0.0004836200000000 ] - [ -0.0003735200000000, 0.0000748600000000, -0.0005354500000000 ] - [ 0.0005180400000000, 0.0002912600000000, 0.0000328600000000 ] - [ 0.0003353100000000, 0.0001634900000000, 0.0003071900000000 ] - [ 0.0002513400000000, 0.0002542000000000, 0.0001093200000000 ] - [ -0.0000610200000000, 0.0002517600000000, -0.0001045900000000 ] - [ 0.0012644600000000, 0.0026249900000000, -0.0011573500000000 ] - [ 0.0003263300000000, -0.0002535500000000, 0.0000157800000000 ] - [ -0.0000452400000000, 0.0004253100000000, -0.0001324200000000 ] - [ 0.0000439400000000, -0.0000140400000000, 0.0001554800000000 ] - [ -0.0009025800000000, -0.0011355500000000, 0.0007906700000000 ] - [ 0.0002713300000000, 0.0002501900000000, -0.0000056400000000 ] - [ -0.0003333200000000, -0.0002368100000000, -0.0000453600000000 ] - [ -0.0003873900000000, -0.0001181400000000, -0.0007227900000000 ] - [ -0.0027958000000000, 0.0307307100000000, 0.0267569600000000 ] - [ 0.0001903700000000, 0.0004126100000000, -0.0007503600000000 ] - [ -0.0002781500000000, 0.0009347800000000, 0.0004611900000000 ] - [ 0.0001456500000000, -0.0003748800000000, -0.0000224200000000 ] - [ 0.0001936300000000, -0.0004286300000000, -0.0000169600000000 ] - [ 0.0027505400000000, 0.0010590700000000, 0.0012491400000000 ] - [ -0.0001060800000000, -0.0033710100000000, 0.0004644000000000 ] - [ 0.0013662300000000, 0.0027980700000000, 0.0017278800000000 ] - [ 0.0000269400000000, 0.0002494300000000, 0.0000984100000000 ] - [ -0.0018345100000000, 0.0013247900000000, 0.0013041800000000 ] - [ -0.0001527600000000, -0.0002631600000000, 0.0000451100000000 ] - [ -0.0000831900000000, 0.0002294100000000, 0.0001579600000000 ] - [ 0.0003359100000000, -0.0028977400000000, 0.0004270600000000 ] - [ -0.0014254100000000, 0.0004408700000000, -0.0010656200000000 ] - [ 0.0003915800000000, -0.0013246200000000, 0.0002111100000000 ] - [ 0.0002758700000000, -0.0042487400000000, -0.0027704700000000 ] - [ 0.0002067700000000, -0.0054018800000000, 0.0010911600000000 ] - [ -0.0001066100000000, -0.0001912600000000, 0.0000459700000000 ] - [ 0.0005475100000000, -0.0005368100000000, 0.0005747200000000 ] - [ 0.0003029900000000, -0.0031760400000000, 0.0022968600000000 ] - [ 0.0000123800000000, -0.0010358700000000, 0.0000630700000000 ] - [ -0.0004176900000000, 0.0008773600000000, -0.0005801400000000 ] - [ -0.0002305300000000, 0.0000693400000000, 0.0000788000000000 ] - [ -0.0001267800000000, 0.0002894200000000, 0.0000344600000000 ] - [ 0.0060456300000000, 0.0306060400000000, -0.0155207900000000 ] - [ 0.0000793400000000, 0.0001843300000000, 0.0004319200000000 ] - [ 0.0002424600000000, 0.0008994500000000, -0.0005876700000000 ] - [ -0.0022423000000000, 0.0020681400000000, -0.0015180400000000 ] - [ 0.0002214800000000, -0.0002409000000000, 0.0006300800000000 ] - [ 0.0000823800000000, -0.0002912100000000, -0.0000259600000000 ] - [ -0.0003376400000000, -0.0009650800000000, -0.0004044300000000 ] - [ -0.0009289000000000, 0.0029872000000000, 0.0006897500000000 ] - [ 0.0002553500000000, 0.0008381300000000, -0.0003727000000000 ] - [ -0.0001314900000000, 0.0003811900000000, -0.0006575600000000 ] - [ -0.0006952500000000, 0.0002811700000000, 0.0005039400000000 ] - [ -0.0005467700000000, -0.0002979200000000, 0.0002587400000000 ] - [ 0.0000246800000000, -0.0009318400000000, 0.0001689200000000 ] - [ 0.0001041400000000, -0.0029450800000000, -0.0009999500000000 ]- atom: 6 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001371700000000, -0.0004425900000000, -0.0000953100000000 ] - [ 0.0001464700000000, -0.0004883400000000, -0.0004135200000000 ] - [ 0.0002874100000000, -0.0005831200000000, -0.0006710500000000 ] - [ -0.0003077400000000, -0.0003700600000000, -0.0004490800000000 ] - [ 0.0001168200000000, 0.0003668400000000, 0.0002655400000000 ] - [ 0.0187081200000000, 0.0741003700000000, -0.0070409000000000 ] - [ 0.0096911100000000, -0.0094568100000000, 0.0045500200000000 ] - [ -0.0000683900000000, 0.0006863700000000, -0.0000137200000000 ] - [ -0.0000821900000000, 0.0008375900000000, 0.0001625500000000 ] - [ -0.0002572500000000, -0.0002852200000000, 0.0000762500000000 ] - [ -0.0001634100000000, 0.0006029300000000, 0.0005300300000000 ] - [ 0.0003826000000000, 0.0004215100000000, 0.0003148500000000 ] - [ -0.0004635600000000, -0.0003553300000000, 0.0004365400000000 ] - [ 0.0000535600000000, 0.0131604000000000, 0.0058414200000000 ] - [ 0.0003020700000000, -0.0001625400000000, -0.0002305000000000 ] - [ -0.0082982300000000, -0.0077182300000000, 0.0001971100000000 ] - [ 0.0000739000000000, 0.0002549900000000, 0.0000563200000000 ] - [ -0.0000910300000000, 0.0003156400000000, 0.0003286500000000 ] - [ 0.0017745600000000, 0.0006646300000000, -0.0010428700000000 ] - [ 0.0000485500000000, -0.0001560700000000, 0.0001893400000000 ] - [ 0.0001683400000000, -0.0007404800000000, -0.0004467700000000 ] - [ 0.0002819500000000, -0.0015619300000000, -0.0002031800000000 ] - [ -0.0004882900000000, -0.0002469200000000, -0.0000583400000000 ] - [ 0.0004038400000000, 0.0008001000000000, 0.0002933000000000 ] - [ -0.0002800600000000, 0.0004708800000000, 0.0003349500000000 ] - [ -0.0005163200000000, 0.0002715100000000, -0.0010246100000000 ] - [ -0.0079339000000000, -0.0111935200000000, -0.0039381000000000 ] - [ 0.0084721500000000, -0.0049916800000000, -0.0036392000000000 ] - [ -0.0002268700000000, 0.0006666800000000, -0.0000448400000000 ] - [ 0.0004470800000000, 0.0001516700000000, 0.0003112600000000 ] - [ -0.0024142300000000, 0.0020966700000000, -0.0029082500000000 ] - [ 0.0000173500000000, 0.0007148700000000, -0.0001942800000000 ] - [ 0.0002025400000000, -0.0020708600000000, 0.0008507000000000 ] - [ -0.0009676400000000, 0.0003011900000000, 0.0000270900000000 ] - [ -0.0000948800000000, 0.0001005800000000, 0.0005338200000000 ] - [ 0.0004033900000000, -0.0111136200000000, 0.0004873100000000 ] - [ -0.0009293800000000, -0.0040295900000000, -0.0003031600000000 ] - [ -0.0014745300000000, -0.0003713100000000, 0.0005163900000000 ] - [ -0.0002760900000000, 0.0010700900000000, -0.0002501600000000 ] - [ 0.0002619800000000, -0.0001613800000000, -0.0004060700000000 ] - [ 0.0007557400000000, -0.0008290300000000, 0.0009546900000000 ] - [ -0.0005996600000000, 0.0055160600000000, 0.0010319400000000 ] - [ -0.0007750300000000, -0.0009836100000000, -0.0007373600000000 ] - [ -0.0008443200000000, -0.0032795500000000, 0.0000424900000000 ] - [ 0.0009409200000000, -0.0001199100000000, 0.0001125300000000 ] - [ 0.0000805500000000, -0.0001336100000000, -0.0004911900000000 ] - [ 0.0003302000000000, 0.0003003500000000, 0.0001719000000000 ] - [ 0.0010786600000000, 0.0057741700000000, -0.0004490300000000 ] - [ -0.0002852200000000, -0.0002557700000000, -0.0000021300000000 ] - [ 0.0006124200000000, -0.0000563400000000, -0.0003293700000000 ] - [ 0.0004496600000000, -0.0001394400000000, 0.0004450900000000 ] - [ 0.0001777600000000, -0.0002532700000000, -0.0001119000000000 ] - [ -0.0007962600000000, 0.0056781700000000, -0.0006641200000000 ] - [ 0.0000536900000000, 0.0004564200000000, -0.0000511700000000 ] - [ 0.0002560300000000, -0.0000170700000000, -0.0000607600000000 ] - [ 0.0001900000000000, 0.0005415800000000, 0.0004775300000000 ] - [ -0.0002411600000000, -0.0001254600000000, 0.0001371500000000 ] - [ 0.0014413700000000, 0.0018558800000000, -0.0009159300000000 ] - [ 0.0008505400000000, -0.0015383800000000, 0.0010268100000000 ] - [ -0.0005022800000000, -0.0003170700000000, -0.0000320400000000 ] - [ 0.0003735600000000, -0.0001046800000000, 0.0006379000000000 ] - [ 0.0015551400000000, -0.0018729600000000, 0.0022568000000000 ] - [ -0.0003237800000000, 0.0000501500000000, -0.0002398500000000 ] - [ -0.0008531900000000, 0.0014912200000000, 0.0004264500000000 ] - [ -0.0160095200000000, -0.0015968100000000, 0.0146998500000000 ] - [ 0.0003530600000000, -0.0001814500000000, 0.0008244200000000 ] - [ 0.0004996300000000, -0.0000526000000000, 0.0002517100000000 ] - [ -0.0002600800000000, -0.0011766500000000, 0.0004539900000000 ] - [ -0.0002488800000000, 0.0001562200000000, -0.0005906300000000 ] - [ -0.0003471900000000, 0.0000944100000000, -0.0005595200000000 ] - [ 0.0004874500000000, 0.0003387600000000, -0.0000082300000000 ] - [ 0.0003583400000000, -0.0001136000000000, 0.0000459500000000 ] - [ 0.0002518500000000, 0.0003026100000000, 0.0000434900000000 ] - [ -0.0000718200000000, 0.0002462800000000, -0.0001687200000000 ] - [ -0.0017197100000000, -0.0020281100000000, 0.0012764800000000 ] - [ -0.0001644700000000, -0.0002073600000000, -0.0002744400000000 ] - [ -0.0001126900000000, -0.0000114400000000, -0.0007731900000000 ] - [ 0.0004131200000000, 0.0006119100000000, -0.0002762300000000 ] - [ 0.0009565900000000, 0.0005551100000000, -0.0005665500000000 ] - [ 0.0002643500000000, 0.0002241600000000, 0.0000033400000000 ] - [ -0.0001692100000000, -0.0003193900000000, -0.0001053500000000 ] - [ -0.0004281600000000, -0.0002467800000000, -0.0010305800000000 ] - [ 0.0023805400000000, -0.0302930800000000, -0.0250112200000000 ] - [ -0.0003474000000000, -0.0008241900000000, -0.0001557300000000 ] - [ -0.0002315700000000, 0.0008065200000000, 0.0004580300000000 ] - [ -0.0000134600000000, -0.0001232900000000, 0.0002981900000000 ] - [ 0.0002651100000000, -0.0001705500000000, -0.0000991000000000 ] - [ -0.0022211300000000, -0.0015214200000000, -0.0012462000000000 ] - [ -0.0004312900000000, 0.0038419400000000, -0.0004381400000000 ] - [ -0.0020587600000000, -0.0028593200000000, -0.0020745200000000 ] - [ 0.0000299900000000, 0.0003315800000000, 0.0001304800000000 ] - [ 0.0016361300000000, -0.0018613200000000, -0.0011719800000000 ] - [ -0.0000471400000000, -0.0002427600000000, -0.0000581700000000 ] - [ -0.0000784300000000, 0.0002317400000000, 0.0001028400000000 ] - [ -0.0005264400000000, 0.0034057300000000, -0.0004498600000000 ] - [ 0.0009921600000000, -0.0008259200000000, -0.0000031500000000 ] - [ 0.0003041300000000, 0.0012755900000000, 0.0001443900000000 ] - [ 0.0002032900000000, 0.0044240000000000, 0.0026156100000000 ] - [ 0.0006028600000000, 0.0057665200000000, 0.0006533100000000 ] - [ -0.0003543300000000, -0.0004058800000000, 0.0000770100000000 ] - [ -0.0001076300000000, 0.0009231700000000, 0.0005018300000000 ] - [ 0.0002072300000000, 0.0014404400000000, -0.0032111200000000 ] - [ 0.0001405400000000, 0.0006272400000000, 0.0008441500000000 ] - [ -0.0003969100000000, -0.0005083300000000, -0.0011651300000000 ] - [ -0.0002462900000000, 0.0000886600000000, 0.0001141400000000 ] - [ -0.0000703200000000, 0.0002392400000000, 0.0001007400000000 ] - [ -0.0067089200000000, -0.0326848800000000, 0.0167085800000000 ] - [ 0.0000743100000000, 0.0002202700000000, 0.0004810900000000 ] - [ -0.0003000600000000, -0.0003278600000000, 0.0003652400000000 ] - [ 0.0017607900000000, -0.0022448500000000, 0.0017194500000000 ] - [ 0.0002268100000000, -0.0001433300000000, 0.0004449100000000 ] - [ 0.0001136800000000, -0.0002380400000000, -0.0001059400000000 ] - [ -0.0000390300000000, -0.0003436600000000, -0.0005168500000000 ] - [ 0.0002403500000000, -0.0023529800000000, -0.0004807400000000 ] - [ 0.0002539400000000, 0.0009056900000000, -0.0005453400000000 ] - [ -0.0002468500000000, 0.0009287300000000, -0.0002569700000000 ] - [ -0.0005056500000000, -0.0001762700000000, 0.0000901100000000 ] - [ -0.0006436000000000, 0.0002093000000000, 0.0003232300000000 ] - [ 0.0004761200000000, 0.0003753000000000, -0.0000164500000000 ] - [ 0.0009165700000000, 0.0023172300000000, 0.0010215100000000 ]- atom: 6 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ -0.0003687900000000, -0.0000077200000000, 0.0014424300000000 ] - [ -0.0015393300000000, -0.0018381600000000, -0.0035780800000000 ] - [ 0.0004093000000000, -0.0004592300000000, 0.0018708700000000 ] - [ -0.0002148500000000, -0.0003212000000000, 0.0011989300000000 ] - [ 0.0003551100000000, 0.0003794400000000, 0.0020072500000000 ] - [ 0.0707028700000000, 0.0121915200000000, -0.1588236600000000 ] - [ 0.0072784900000000, -0.0049573300000000, -0.0025750700000000 ] - [ -0.0009116800000000, 0.0011980300000000, -0.0040981300000000 ] - [ -0.0003937000000000, 0.0008583400000000, 0.0015762100000000 ] - [ -0.0021629000000000, -0.0004439700000000, 0.0012046300000000 ] - [ -0.0002666200000000, 0.0006296800000000, 0.0020123800000000 ] - [ 0.0003872000000000, 0.0005575400000000, 0.0019221200000000 ] - [ 0.0002163400000000, -0.0032711200000000, 0.0021292200000000 ] - [ -0.0042403900000000, -0.0051883400000000, 0.0224519600000000 ] - [ 0.0003744500000000, -0.0007407100000000, 0.0005703700000000 ] - [ -0.0064256300000000, -0.0046146000000000, -0.0034052800000000 ] - [ 0.0002408600000000, 0.0001842300000000, 0.0017876400000000 ] - [ -0.0001481300000000, 0.0002349100000000, 0.0018039600000000 ] - [ -0.0001271400000000, 0.0032971700000000, 0.0019306400000000 ] - [ 0.0000071600000000, 0.0000712200000000, 0.0015896600000000 ] - [ 0.0001190800000000, -0.0005563600000000, 0.0010347900000000 ] - [ 0.0008981600000000, -0.0005448200000000, 0.0009516200000000 ] - [ -0.0003638100000000, -0.0005813800000000, 0.0012172700000000 ] - [ 0.0002160500000000, 0.0001047200000000, 0.0020848300000000 ] - [ -0.0003438200000000, 0.0001900000000000, 0.0016889400000000 ] - [ -0.0002803200000000, 0.0007588100000000, -0.0021710800000000 ] - [ 0.0081731400000000, 0.0056598100000000, -0.0039357200000000 ] - [ -0.0091364100000000, 0.0040679000000000, 0.0011326500000000 ] - [ -0.0017478600000000, 0.0007762500000000, 0.0010482200000000 ] - [ 0.0010186400000000, -0.0003748800000000, 0.0006115600000000 ] - [ 0.0033606100000000, 0.0023560900000000, 0.0036784600000000 ] - [ 0.0002239400000000, 0.0008514100000000, 0.0005749300000000 ] - [ -0.0003021300000000, -0.0004030100000000, 0.0000812200000000 ] - [ -0.0011400000000000, 0.0002567600000000, 0.0023112300000000 ] - [ -0.0000672800000000, 0.0001286300000000, 0.0027794300000000 ] - [ 0.0014324800000000, 0.0012115100000000, -0.0106598900000000 ] - [ -0.0006362300000000, 0.0001806200000000, 0.0022351100000000 ] - [ -0.0262921600000000, 0.0009763700000000, 0.0036046500000000 ] - [ -0.0003452900000000, 0.0002713100000000, 0.0039778600000000 ] - [ -0.0050574600000000, -0.0010103400000000, 0.0004299700000000 ] - [ 0.0008046800000000, -0.0008062700000000, 0.0028807200000000 ] - [ 0.0046218500000000, 0.0006706000000000, 0.0028200000000000 ] - [ -0.0012673200000000, -0.0013047000000000, 0.0012419600000000 ] - [ -0.0014652600000000, -0.0008340000000000, -0.0043373500000000 ] - [ 0.0007225500000000, -0.0003780000000000, 0.0026904100000000 ] - [ 0.0003110400000000, -0.0002307400000000, 0.0021705100000000 ] - [ 0.0005718100000000, 0.0003937400000000, 0.0025877300000000 ] - [ 0.0003890100000000, -0.0005483200000000, -0.0127833600000000 ] - [ -0.0003067500000000, 0.0002552500000000, -0.0011541800000000 ] - [ 0.0007465000000000, -0.0004410600000000, -0.0013846000000000 ] - [ 0.0005239100000000, 0.0001793300000000, 0.0021724000000000 ] - [ 0.0006014900000000, -0.0002429600000000, -0.0010393300000000 ] - [ -0.0002631000000000, -0.0003335400000000, 0.0052576200000000 ] - [ 0.0002150100000000, 0.0006059400000000, 0.0000065600000000 ] - [ 0.0002883000000000, -0.0004964200000000, -0.0011263900000000 ] - [ -0.0004044300000000, 0.0006838900000000, -0.0013929000000000 ] - [ 0.0009306000000000, -0.0007958500000000, -0.0010946000000000 ] - [ 0.0000334400000000, 0.0004578700000000, 0.0022143200000000 ] - [ -0.0016790500000000, 0.0002482200000000, -0.0025662900000000 ] - [ -0.0004848200000000, -0.0001507700000000, -0.0012544300000000 ] - [ -0.0002133300000000, -0.0001420700000000, -0.0012454400000000 ] - [ -0.0025833600000000, -0.0011077800000000, -0.0002938600000000 ] - [ -0.0003463600000000, 0.0005169000000000, -0.0012662200000000 ] - [ -0.0006336200000000, 0.0004064000000000, 0.0023636700000000 ] - [ -0.0557088800000000, -0.0150625100000000, 0.0548100300000000 ] - [ 0.0001106500000000, -0.0000522200000000, -0.0003849700000000 ] - [ -0.0002192800000000, -0.0003117300000000, 0.0001713400000000 ] - [ 0.0013646700000000, -0.0006193500000000, 0.0026623800000000 ] - [ -0.0006830900000000, 0.0001655500000000, -0.0021274900000000 ] - [ -0.0007396500000000, 0.0000219000000000, -0.0019696200000000 ] - [ 0.0005307100000000, 0.0004771900000000, -0.0012268300000000 ] - [ 0.0005540000000000, -0.0009036200000000, -0.0010606900000000 ] - [ 0.0007032200000000, 0.0002588600000000, -0.0009075400000000 ] - [ -0.0000703400000000, 0.0002694900000000, -0.0013047500000000 ] - [ 0.0040421300000000, 0.0004007100000000, -0.0022914700000000 ] - [ -0.0002973800000000, -0.0000406800000000, -0.0011162300000000 ] - [ -0.0005894300000000, 0.0002677800000000, -0.0022517900000000 ] - [ 0.0000777000000000, 0.0002490600000000, -0.0000761100000000 ] - [ 0.0011731700000000, -0.0005197000000000, 0.0009647900000000 ] - [ 0.0002209900000000, 0.0007989900000000, -0.0014521500000000 ] - [ 0.0003183800000000, -0.0003071700000000, -0.0010788700000000 ] - [ -0.0009938800000000, -0.0002289600000000, -0.0017824800000000 ] - [ -0.0063781600000000, 0.0337865000000000, 0.0411180800000000 ] - [ 0.0007139000000000, 0.0004194200000000, -0.0010488700000000 ] - [ -0.0003311800000000, 0.0005782900000000, -0.0004458600000000 ] - [ -0.0002621900000000, -0.0003507100000000, -0.0009722600000000 ] - [ 0.0002976700000000, -0.0001307500000000, -0.0007926000000000 ] - [ 0.0026896700000000, 0.0019780600000000, 0.0048067800000000 ] - [ -0.0012854000000000, 0.0020684300000000, 0.0016501800000000 ] - [ -0.0033545600000000, 0.0000759000000000, -0.0002065900000000 ] - [ 0.0001055600000000, -0.0000399800000000, -0.0010958700000000 ] - [ 0.0056495000000000, -0.0038243400000000, -0.0031957400000000 ] - [ 0.0003720600000000, -0.0002557500000000, -0.0012244600000000 ] - [ 0.0001196800000000, 0.0002576000000000, -0.0009373600000000 ] - [ -0.0013544000000000, 0.0003200500000000, -0.0006329700000000 ] - [ 0.0081840200000000, -0.0004229800000000, 0.0058505600000000 ] - [ 0.0003837500000000, 0.0003013900000000, -0.0012411300000000 ] - [ -0.0010527600000000, -0.0042213200000000, 0.0018737900000000 ] - [ 0.0014018500000000, -0.0007502200000000, -0.0002680000000000 ] - [ 0.0003394000000000, -0.0004861900000000, -0.0012660600000000 ] - [ 0.0009156000000000, 0.0003395700000000, 0.0027867700000000 ] - [ 0.0002184800000000, -0.0000622400000000, -0.0026006000000000 ] - [ 0.0009305000000000, -0.0000994400000000, 0.0011827200000000 ] - [ -0.0013307500000000, 0.0003458200000000, -0.0018784400000000 ] - [ -0.0001736900000000, -0.0003605500000000, -0.0011046100000000 ] - [ 0.0001904200000000, 0.0007463700000000, -0.0012091300000000 ] - [ -0.0090489500000000, -0.0283686500000000, 0.0253057500000000 ] - [ 0.0000058300000000, 0.0004438900000000, -0.0006095100000000 ] - [ -0.0003232800000000, 0.0002910500000000, -0.0022709300000000 ] - [ 0.0008590100000000, -0.0022556500000000, 0.0040964400000000 ] - [ -0.0000721400000000, -0.0002046300000000, -0.0008399500000000 ] - [ 0.0002539500000000, 0.0001983900000000, -0.0011610000000000 ] - [ 0.0003360100000000, -0.0006270600000000, -0.0008788900000000 ] - [ 0.0113306100000000, 0.0008591900000000, 0.0190145800000000 ] - [ 0.0003838000000000, 0.0013551700000000, -0.0019065600000000 ] - [ -0.0004349500000000, 0.0006157000000000, -0.0015409600000000 ] - [ -0.0002828700000000, -0.0003913600000000, -0.0010064400000000 ] - [ 0.0060244000000000, 0.0040046100000000, -0.0036921200000000 ] - [ 0.0003708500000000, -0.0001883300000000, 0.0014155900000000 ] - [ -0.0001997000000000, 0.0005064200000000, 0.0041870800000000 ]- atom: 6 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ 0.0002265900000000, -0.0004877200000000, -0.0015088100000000 ] - [ 0.0017604200000000, 0.0011290400000000, 0.0040599800000000 ] - [ 0.0001213000000000, -0.0004931400000000, -0.0024558000000000 ] - [ -0.0005112300000000, -0.0005214300000000, -0.0017935800000000 ] - [ -0.0001300000000000, 0.0003331700000000, -0.0015078100000000 ] - [ -0.0747487100000000, -0.0148706400000000, 0.1604419600000000 ] - [ -0.0078177400000000, 0.0040146400000000, 0.0031288500000000 ] - [ 0.0010695300000000, -0.0017009000000000, 0.0041729500000000 ] - [ 0.0001761500000000, 0.0007816800000000, -0.0014162600000000 ] - [ 0.0020172800000000, 0.0001408800000000, -0.0015086700000000 ] - [ -0.0000219600000000, 0.0005606900000000, -0.0010097700000000 ] - [ 0.0003405800000000, 0.0002859600000000, -0.0013295700000000 ] - [ -0.0004175900000000, 0.0039877100000000, -0.0026190500000000 ] - [ 0.0039775700000000, 0.0034698400000000, -0.0219711800000000 ] - [ -0.0001351500000000, 0.0001080300000000, -0.0012052000000000 ] - [ 0.0071555700000000, 0.0037541000000000, 0.0039963100000000 ] - [ -0.0000948700000000, 0.0003148900000000, -0.0017241600000000 ] - [ -0.0000880800000000, 0.0003952700000000, -0.0011715700000000 ] - [ -0.0000112900000000, -0.0028102100000000, -0.0020206900000000 ] - [ 0.0001341800000000, -0.0003746200000000, -0.0012832400000000 ] - [ 0.0001725200000000, -0.0006335300000000, -0.0020391700000000 ] - [ -0.0006768400000000, -0.0010931700000000, -0.0011159800000000 ] - [ 0.0001405200000000, -0.0001338400000000, -0.0017200500000000 ] - [ -0.0003544600000000, 0.0001932600000000, -0.0023906600000000 ] - [ -0.0001853800000000, 0.0007684000000000, -0.0011040800000000 ] - [ 0.0005710000000000, 0.0004331600000000, 0.0011677100000000 ] - [ -0.0080444600000000, -0.0053775500000000, 0.0042278600000000 ] - [ 0.0088850300000000, -0.0046471500000000, -0.0004909900000000 ] - [ 0.0022895000000000, 0.0001843900000000, -0.0016242900000000 ] - [ -0.0007880300000000, 0.0010087700000000, -0.0012454600000000 ] - [ -0.0041339300000000, -0.0015223800000000, -0.0042770400000000 ] - [ -0.0000033800000000, 0.0007898300000000, -0.0007330100000000 ] - [ 0.0011340900000000, -0.0004021600000000, 0.0005564600000000 ] - [ -0.0007942700000000, 0.0003909000000000, -0.0024700600000000 ] - [ -0.0001165000000000, 0.0001856800000000, -0.0017814000000000 ] - [ -0.0016260300000000, -0.0015357700000000, 0.0116927100000000 ] - [ -0.0010114200000000, 0.0016700400000000, -0.0038942000000000 ] - [ 0.0283570600000000, -0.0002727100000000, -0.0035726800000000 ] - [ -0.0004772700000000, 0.0005420500000000, -0.0046399300000000 ] - [ 0.0042059100000000, 0.0001956700000000, -0.0010694500000000 ] - [ 0.0008390700000000, -0.0010550300000000, -0.0012453200000000 ] - [ -0.0029535800000000, 0.0011907600000000, -0.0011970600000000 ] - [ -0.0003768000000000, -0.0005597500000000, -0.0028756800000000 ] - [ -0.0004616500000000, 0.0001865600000000, 0.0041812800000000 ] - [ 0.0012133800000000, -0.0002696500000000, -0.0025328500000000 ] - [ -0.0001228500000000, -0.0000827200000000, -0.0031703600000000 ] - [ 0.0002551900000000, 0.0004114600000000, -0.0019478700000000 ] - [ -0.0001075900000000, 0.0008532900000000, 0.0117515200000000 ] - [ -0.0002294800000000, -0.0007271200000000, 0.0011569400000000 ] - [ 0.0004533300000000, 0.0003391700000000, 0.0007940200000000 ] - [ 0.0001700500000000, -0.0000099200000000, -0.0010911500000000 ] - [ -0.0004024000000000, -0.0002646100000000, 0.0010492000000000 ] - [ -0.0004582600000000, 0.0001673300000000, -0.0063619400000000 ] - [ -0.0000490600000000, -0.0001416600000000, -0.0002712100000000 ] - [ 0.0001886000000000, 0.0003367700000000, 0.0009335600000000 ] - [ 0.0007806100000000, 0.0006234600000000, 0.0023139200000000 ] - [ -0.0009806100000000, 0.0002157500000000, 0.0008646200000000 ] - [ 0.0011669100000000, -0.0003586400000000, -0.0028056100000000 ] - [ 0.0018645300000000, 0.0002546200000000, 0.0025699700000000 ] - [ -0.0005172500000000, -0.0004820400000000, 0.0012305500000000 ] - [ 0.0009369800000000, -0.0000258100000000, 0.0023382000000000 ] - [ 0.0020754900000000, -0.0006353000000000, 0.0012139900000000 ] - [ -0.0003470800000000, -0.0004637400000000, 0.0009107200000000 ] - [ 0.0008302100000000, 0.0001243800000000, -0.0024980000000000 ] - [ 0.0590797300000000, 0.0166467000000000, -0.0578115100000000 ] - [ 0.0007031500000000, -0.0003136700000000, 0.0021268500000000 ] - [ 0.0003534900000000, 0.0008039600000000, 0.0000949800000000 ] - [ -0.0009855100000000, -0.0006872500000000, -0.0017398000000000 ] - [ 0.0002405100000000, 0.0002190200000000, 0.0010571000000000 ] - [ 0.0000182600000000, 0.0001469200000000, 0.0008723900000000 ] - [ 0.0004691100000000, 0.0001554800000000, 0.0012494100000000 ] - [ 0.0001405100000000, 0.0009580300000000, 0.0014128100000000 ] - [ -0.0001905800000000, 0.0002992500000000, 0.0010591600000000 ] - [ -0.0000600900000000, 0.0002250000000000, 0.0010288100000000 ] - [ -0.0044670600000000, 0.0001889500000000, 0.0023965100000000 ] - [ 0.0004593300000000, -0.0004209700000000, 0.0008567300000000 ] - [ 0.0004333700000000, 0.0001399200000000, 0.0013489800000000 ] - [ 0.0003773500000000, 0.0003487000000000, -0.0000442400000000 ] - [ -0.0011176700000000, -0.0000576100000000, -0.0007386400000000 ] - [ 0.0003191300000000, -0.0003252600000000, 0.0014455400000000 ] - [ -0.0008275700000000, -0.0002509700000000, 0.0009246500000000 ] - [ 0.0001846600000000, -0.0001383100000000, 0.0000337200000000 ] - [ 0.0061851700000000, -0.0324148700000000, -0.0393742800000000 ] - [ -0.0008659100000000, -0.0008281500000000, 0.0001390300000000 ] - [ -0.0001757100000000, 0.0011619900000000, 0.0013616800000000 ] - [ 0.0003940400000000, -0.0001465800000000, 0.0012455000000000 ] - [ 0.0001607200000000, -0.0004667200000000, 0.0006700700000000 ] - [ -0.0021671000000000, -0.0024374600000000, -0.0047912200000000 ] - [ 0.0007556600000000, -0.0016018400000000, -0.0016542800000000 ] - [ 0.0026550700000000, -0.0001254900000000, -0.0001371900000000 ] - [ -0.0000462700000000, 0.0006148800000000, 0.0013178400000000 ] - [ -0.0058458300000000, 0.0032737400000000, 0.0033227300000000 ] - [ -0.0005682600000000, -0.0002504300000000, 0.0012067700000000 ] - [ -0.0002808500000000, 0.0002055400000000, 0.0011950300000000 ] - [ 0.0011589300000000, 0.0001906200000000, 0.0006245800000000 ] - [ -0.0086397700000000, 0.0000361700000000, -0.0069128800000000 ] - [ 0.0003138000000000, -0.0003541500000000, 0.0015988400000000 ] - [ 0.0015452600000000, 0.0043961900000000, -0.0020840600000000 ] - [ -0.0005912400000000, 0.0011197400000000, 0.0020200400000000 ] - [ -0.0007964600000000, -0.0001117000000000, 0.0013881600000000 ] - [ -0.0004717900000000, 0.0000473400000000, -0.0017202100000000 ] - [ 0.0002918700000000, -0.0016677900000000, 0.0016884000000000 ] - [ -0.0007743100000000, -0.0003134200000000, -0.0002745000000000 ] - [ 0.0005178500000000, 0.0000224400000000, 0.0001369100000000 ] - [ -0.0003011300000000, 0.0005168500000000, 0.0012935000000000 ] - [ -0.0003816800000000, -0.0002165100000000, 0.0013370400000000 ] - [ 0.0087209700000000, 0.0265236000000000, -0.0249874200000000 ] - [ 0.0001523800000000, -0.0000313500000000, 0.0015175400000000 ] - [ 0.0002673500000000, 0.0002869900000000, 0.0020605900000000 ] - [ -0.0013522900000000, 0.0020848700000000, -0.0038875300000000 ] - [ 0.0005189700000000, -0.0001787700000000, 0.0019091700000000 ] - [ -0.0000581900000000, -0.0007285200000000, 0.0010283700000000 ] - [ -0.0007082700000000, -0.0006803700000000, -0.0000402300000000 ] - [ -0.0124855600000000, -0.0002432600000000, -0.0188528100000000 ] - [ 0.0001251500000000, 0.0003868500000000, 0.0009825100000000 ] - [ 0.0000623000000000, 0.0006941400000000, 0.0006209100000000 ] - [ -0.0009145600000000, 0.0004931700000000, 0.0015937000000000 ] - [ -0.0071907200000000, -0.0040751200000000, 0.0042578100000000 ] - [ 0.0001402600000000, -0.0003695800000000, -0.0012644200000000 ] - [ 0.0012060600000000, -0.0011396200000000, -0.0041715200000000 ]- atom: 9 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ -0.0000164900000000, -0.0003039300000000, -0.0001570400000000 ] - [ -0.0001835200000000, -0.0003143300000000, 0.0003090600000000 ] - [ 0.0004503300000000, -0.0006439700000000, -0.0001262600000000 ] - [ -0.0005765300000000, -0.0005504300000000, -0.0002556600000000 ] - [ 0.0028115100000000, 0.0011050500000000, 0.0016310100000000 ] - [ 0.0002677500000000, -0.0006238500000000, 0.0003931500000000 ] - [ -0.0002816000000000, -0.0005866400000000, 0.0001405100000000 ] - [ -0.0002073900000000, -0.0002840300000000, 0.0001100900000000 ] - [ -0.1002261000000000, -0.0250368600000000, -0.0091269100000000 ] - [ -0.0022802200000000, 0.0053666400000000, 0.0058871000000000 ] - [ -0.0019461100000000, 0.0007481900000000, -0.0049858900000000 ] - [ -0.0015498300000000, -0.0022362600000000, 0.0038042800000000 ] - [ -0.0011512200000000, -0.0011068900000000, -0.0026616600000000 ] - [ -0.0000237800000000, -0.0008250900000000, 0.0000793300000000 ] - [ -0.0000353800000000, -0.0002563500000000, -0.0003562600000000 ] - [ 0.0005922000000000, -0.0006075700000000, 0.0003529900000000 ] - [ 0.0041661200000000, -0.0004194500000000, 0.0007127000000000 ] - [ -0.0037529600000000, 0.0107703100000000, 0.0093592300000000 ] - [ -0.0013249200000000, 0.0017643700000000, -0.0023465500000000 ] - [ 0.0006932900000000, -0.0024112700000000, -0.0018634800000000 ] - [ 0.0000702800000000, -0.0006869500000000, -0.0004133400000000 ] - [ 0.0000493100000000, -0.0008469200000000, -0.0000420800000000 ] - [ -0.0000604100000000, -0.0003182700000000, -0.0003824800000000 ] - [ 0.0001074000000000, 0.0003297800000000, 0.0000033400000000 ] - [ 0.0009248000000000, 0.0066954500000000, -0.0045352600000000 ] - [ 0.0000873500000000, 0.0004245500000000, 0.0003551700000000 ] - [ 0.0000576900000000, 0.0002651300000000, 0.0000017000000000 ] - [ 0.0000897600000000, -0.0002345400000000, 0.0004925300000000 ] - [ -0.0024650400000000, -0.0047074000000000, 0.0048095400000000 ] - [ 0.0036930100000000, 0.0009867200000000, -0.0005422500000000 ] - [ 0.0031358000000000, -0.0003115300000000, -0.0008945000000000 ] - [ 0.0011905100000000, -0.0004540000000000, 0.0002311800000000 ] - [ 0.0003531800000000, -0.0003855300000000, 0.0003313400000000 ] - [ -0.0000428900000000, 0.0008326100000000, -0.0005386300000000 ] - [ -0.0006036600000000, 0.0001339900000000, -0.0001142100000000 ] - [ 0.0007514200000000, -0.0000692600000000, -0.0003770200000000 ] - [ -0.0006775000000000, 0.0009277700000000, -0.0008554700000000 ] - [ -0.0002535200000000, 0.0004141500000000, -0.0008007000000000 ] - [ 0.0297982700000000, -0.0022990100000000, -0.0104774400000000 ] - [ -0.0004532100000000, -0.0003883500000000, -0.0003168800000000 ] - [ 0.0329486300000000, -0.0085587100000000, 0.0038994400000000 ] - [ 0.0007278800000000, 0.0009297500000000, 0.0008598400000000 ] - [ -0.0038149300000000, -0.0013871500000000, 0.0003974000000000 ] - [ -0.0017955400000000, -0.0003117800000000, -0.0005206900000000 ] - [ 0.0020773900000000, -0.0003100500000000, -0.0001555300000000 ] - [ -0.0006027600000000, -0.0005696900000000, 0.0026854500000000 ] - [ 0.0020901200000000, 0.0007206100000000, -0.0015229900000000 ] - [ 0.0014831100000000, -0.0000804500000000, 0.0011689800000000 ] - [ -0.0001335800000000, -0.0002461900000000, 0.0001822200000000 ] - [ -0.0001485500000000, -0.0000070400000000, 0.0000481300000000 ] - [ -0.0003885800000000, 0.0000813800000000, -0.0026149300000000 ] - [ 0.0186909900000000, -0.0077244100000000, 0.0199022300000000 ] - [ -0.0002730000000000, -0.0001474300000000, -0.0000499500000000 ] - [ -0.0003542500000000, -0.0008776700000000, -0.0006742300000000 ] - [ 0.0003661000000000, 0.0000045100000000, 0.0000964300000000 ] - [ -0.0080998200000000, 0.0016721700000000, -0.0022410100000000 ] - [ 0.0000033400000000, -0.0002710100000000, -0.0000838200000000 ] - [ 0.0008011800000000, 0.0000221900000000, -0.0001928200000000 ] - [ 0.0000873500000000, 0.0002475700000000, -0.0001041300000000 ] - [ 0.0006371400000000, -0.0001861300000000, -0.0000034700000000 ] - [ 0.0000490100000000, -0.0000360400000000, -0.0001906000000000 ] - [ -0.0002331300000000, -0.0008796000000000, 0.0004513600000000 ] - [ -0.0072049000000000, -0.0012159700000000, 0.0016464800000000 ] - [ 0.0002979700000000, 0.0003120800000000, 0.0000457500000000 ] - [ -0.0000153800000000, 0.0002526400000000, 0.0003532900000000 ] - [ 0.0018956700000000, -0.0004740500000000, 0.0007024700000000 ] - [ -0.0012004300000000, 0.0014114000000000, -0.0008972800000000 ] - [ 0.0002553900000000, -0.0006541700000000, 0.0004396400000000 ] - [ -0.0012630300000000, 0.0003909300000000, -0.0007939700000000 ] - [ -0.0002203100000000, 0.0005503800000000, -0.0002130300000000 ] - [ 0.0011500900000000, 0.0000741800000000, 0.0001505000000000 ] - [ 0.0020747800000000, 0.0012500600000000, 0.0005506600000000 ] - [ -0.0004474100000000, 0.0001723500000000, 0.0000611400000000 ] - [ 0.0063588900000000, 0.0028855000000000, -0.0055546400000000 ] - [ -0.0002783300000000, 0.0003147300000000, 0.0000374300000000 ] - [ 0.0001535800000000, -0.0002941000000000, -0.0001614500000000 ] - [ -0.0052841100000000, 0.0036199200000000, 0.0029617700000000 ] - [ 0.0003327500000000, 0.0003008600000000, -0.0000843100000000 ] - [ 0.0000705100000000, -0.0002308600000000, 0.0000362100000000 ] - [ 0.0002446900000000, 0.0002160600000000, -0.0022558900000000 ] - [ -0.0008035900000000, -0.0003079900000000, 0.0003531200000000 ] - [ -0.0065753500000000, -0.0004327300000000, -0.0034046000000000 ] - [ -0.0002607500000000, -0.0002607300000000, 0.0001528800000000 ] - [ -0.0000630900000000, -0.0002258200000000, -0.0004199400000000 ] - [ -0.0037395800000000, 0.0041723100000000, 0.0017541300000000 ] - [ 0.0001681700000000, -0.0001658300000000, 0.0000434000000000 ] - [ -0.0019939500000000, -0.0002478500000000, 0.0005773800000000 ] - [ 0.0000170800000000, -0.0005758600000000, -0.0007121600000000 ] - [ -0.0008309300000000, 0.0007129200000000, 0.0008946700000000 ] - [ -0.0003240300000000, -0.0000280900000000, -0.0001757800000000 ] - [ -0.0009575200000000, 0.0013141200000000, -0.0002078300000000 ] - [ 0.0014553100000000, -0.0000959500000000, 0.0003837700000000 ] - [ 0.0014636300000000, -0.0002643400000000, -0.0008459200000000 ] - [ 0.0080687800000000, 0.0008831900000000, 0.0005702900000000 ] - [ -0.0001498900000000, 0.0002583400000000, 0.0000834100000000 ] - [ 0.0002908000000000, -0.0001979000000000, -0.0003509700000000 ] - [ 0.0002888900000000, -0.0000329100000000, 0.0002036500000000 ] - [ -0.0002342500000000, -0.0005910000000000, 0.0009331400000000 ] - [ 0.0003374000000000, 0.0001725200000000, 0.0008790400000000 ] - [ 0.0373442900000000, 0.0242595000000000, -0.0119349700000000 ] - [ 0.0006611800000000, 0.0001884700000000, 0.0010204700000000 ] - [ 0.0002091500000000, -0.0008748000000000, -0.0004359000000000 ] - [ 0.0001364500000000, -0.0002571000000000, 0.0004007600000000 ] - [ -0.0003467300000000, 0.0001695000000000, -0.0009079000000000 ] - [ -0.0001436300000000, 0.0003720500000000, -0.0012620900000000 ] - [ -0.0004104900000000, 0.0002634400000000, 0.0001201100000000 ] - [ -0.0002386300000000, -0.0001940300000000, -0.0001054900000000 ] - [ -0.0018970700000000, -0.0020139600000000, 0.0003098200000000 ] - [ -0.0064612700000000, -0.0021006400000000, 0.0051020800000000 ] - [ -0.0004105100000000, 0.0003552200000000, -0.0004843300000000 ] - [ 0.0001573800000000, -0.0002756600000000, 0.0007977500000000 ] - [ -0.0008245600000000, -0.0011051700000000, 0.0008871500000000 ] - [ -0.0001923800000000, -0.0006488000000000, -0.0004130700000000 ] - [ -0.0013592600000000, 0.0004218800000000, -0.0002881300000000 ] - [ 0.0047845100000000, 0.0025559900000000, 0.0002799600000000 ] - [ 0.0002895600000000, 0.0005986900000000, -0.0000666600000000 ] - [ -0.0009072700000000, 0.0000631500000000, 0.0003657300000000 ] - [ 0.0007965800000000, -0.0002025400000000, 0.0007282700000000 ] - [ 0.0007368200000000, -0.0002766900000000, -0.0000795200000000 ] - [ -0.0002974600000000, -0.0002076900000000, 0.0000579400000000 ]- atom: 9 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ -0.0001302500000000, -0.0001951400000000, 0.0000913500000000 ] - [ 0.0003998000000000, -0.0003983500000000, 0.0001766100000000 ] - [ 0.0000801300000000, -0.0003136600000000, -0.0004608000000000 ] - [ -0.0001481800000000, -0.0002935800000000, -0.0003360800000000 ] - [ -0.0025892900000000, -0.0004008100000000, -0.0011364600000000 ] - [ -0.0005564100000000, -0.0005684400000000, 0.0006100200000000 ] - [ -0.0002528100000000, -0.0003705100000000, 0.0004384200000000 ] - [ 0.0003598400000000, -0.0002148300000000, -0.0000297800000000 ] - [ 0.1016544500000000, 0.0294081700000000, 0.0067279400000000 ] - [ 0.0021026600000000, -0.0056536200000000, -0.0062071400000000 ] - [ 0.0016164000000000, 0.0004247500000000, 0.0060565800000000 ] - [ 0.0023020500000000, 0.0030843100000000, -0.0031963300000000 ] - [ 0.0009532800000000, 0.0018276700000000, 0.0021803500000000 ] - [ -0.0001975100000000, -0.0008165600000000, 0.0000810500000000 ] - [ 0.0002760000000000, -0.0003751400000000, -0.0002756700000000 ] - [ 0.0001338500000000, -0.0002369700000000, 0.0002415500000000 ] - [ -0.0040096100000000, 0.0009221200000000, -0.0006636400000000 ] - [ 0.0035749700000000, -0.0101863900000000, -0.0087620700000000 ] - [ 0.0011795300000000, -0.0012690600000000, 0.0022686500000000 ] - [ -0.0005923700000000, 0.0021132900000000, 0.0021530100000000 ] - [ 0.0002227800000000, -0.0005035200000000, -0.0005914300000000 ] - [ 0.0001731200000000, -0.0007924000000000, -0.0001180100000000 ] - [ -0.0001664600000000, -0.0003942500000000, -0.0001191600000000 ] - [ -0.0002473900000000, -0.0000276200000000, -0.0003117000000000 ] - [ -0.0014768000000000, -0.0056676200000000, 0.0050906900000000 ] - [ 0.0002007100000000, 0.0007673500000000, -0.0013579800000000 ] - [ 0.0000872700000000, 0.0000357800000000, 0.0003100100000000 ] - [ -0.0003291700000000, -0.0003972000000000, 0.0001402500000000 ] - [ 0.0029907200000000, 0.0056580600000000, -0.0053942000000000 ] - [ -0.0034604000000000, -0.0003485300000000, -0.0000792100000000 ] - [ -0.0038608000000000, 0.0011506300000000, 0.0003054000000000 ] - [ -0.0009795600000000, 0.0020916800000000, -0.0003877900000000 ] - [ 0.0004758000000000, -0.0004210800000000, 0.0003114400000000 ] - [ -0.0018953200000000, -0.0001719400000000, 0.0003734800000000 ] - [ 0.0004247500000000, 0.0001831000000000, 0.0011234400000000 ] - [ -0.0009362600000000, -0.0002428100000000, 0.0013782700000000 ] - [ -0.0009697200000000, 0.0009329600000000, -0.0007806700000000 ] - [ 0.0021934500000000, 0.0002371500000000, 0.0009539500000000 ] - [ -0.0307892600000000, 0.0029769100000000, 0.0099012900000000 ] - [ -0.0003763700000000, -0.0004177800000000, -0.0003256700000000 ] - [ -0.0310422000000000, 0.0065246900000000, -0.0020571900000000 ] - [ 0.0009202000000000, 0.0009317000000000, 0.0007746100000000 ] - [ 0.0021498700000000, -0.0005453800000000, -0.0019982600000000 ] - [ -0.0001421400000000, -0.0003370200000000, 0.0003610800000000 ] - [ -0.0001560100000000, -0.0003394300000000, 0.0003023400000000 ] - [ 0.0008049000000000, 0.0002493500000000, -0.0037009800000000 ] - [ -0.0012516300000000, 0.0000988200000000, 0.0021826200000000 ] - [ -0.0013006300000000, 0.0003955600000000, -0.0021668400000000 ] - [ -0.0004042300000000, -0.0002282500000000, -0.0001797300000000 ] - [ 0.0013529600000000, -0.0000969100000000, -0.0006351800000000 ] - [ 0.0011114000000000, 0.0000861300000000, 0.0037081000000000 ] - [ -0.0177005000000000, 0.0067806100000000, -0.0187842900000000 ] - [ -0.0004490500000000, -0.0000218200000000, -0.0010452300000000 ] - [ 0.0005266000000000, 0.0013384300000000, 0.0004120200000000 ] - [ 0.0001092900000000, -0.0001627300000000, -0.0002897100000000 ] - [ 0.0084560100000000, -0.0003430100000000, 0.0031431800000000 ] - [ -0.0000607000000000, -0.0003058600000000, -0.0001397400000000 ] - [ 0.0003964000000000, 0.0000791300000000, -0.0003952500000000 ] - [ 0.0001086900000000, 0.0002590900000000, 0.0001212500000000 ] - [ -0.0016490500000000, -0.0004436200000000, -0.0000257900000000 ] - [ 0.0006718200000000, -0.0001314000000000, 0.0012909600000000 ] - [ -0.0002757200000000, -0.0008601300000000, 0.0004678300000000 ] - [ 0.0065011500000000, 0.0012836900000000, -0.0020119500000000 ] - [ -0.0001025400000000, 0.0002187500000000, -0.0001754700000000 ] - [ -0.0004985300000000, 0.0003050100000000, -0.0005061700000000 ] - [ -0.0010957300000000, 0.0001136800000000, 0.0010317400000000 ] - [ 0.0013378100000000, -0.0009159400000000, 0.0011702200000000 ] - [ 0.0001173000000000, -0.0006555600000000, 0.0004801600000000 ] - [ 0.0008218200000000, -0.0000030000000000, -0.0002639100000000 ] - [ -0.0004998300000000, -0.0003972700000000, -0.0008940000000000 ] - [ -0.0001517000000000, 0.0005537700000000, -0.0001258000000000 ] - [ -0.0013745900000000, -0.0011678200000000, -0.0001885000000000 ] - [ 0.0009568400000000, 0.0003828700000000, 0.0000945700000000 ] - [ -0.0065786700000000, -0.0027076000000000, 0.0057266500000000 ] - [ -0.0001771000000000, 0.0002827500000000, 0.0000839000000000 ] - [ 0.0000067300000000, -0.0001687500000000, -0.0000972700000000 ] - [ 0.0051464200000000, -0.0032109100000000, -0.0038852600000000 ] - [ 0.0001200100000000, 0.0002970500000000, -0.0000351200000000 ] - [ -0.0000133900000000, -0.0003443500000000, 0.0001863400000000 ] - [ 0.0002850900000000, 0.0002603800000000, 0.0022590800000000 ] - [ 0.0003040100000000, -0.0002468300000000, -0.0005091400000000 ] - [ 0.0057863600000000, 0.0000839700000000, 0.0016482000000000 ] - [ 0.0000992500000000, -0.0002027400000000, 0.0001079200000000 ] - [ -0.0000930900000000, -0.0001871600000000, -0.0004867500000000 ] - [ 0.0032352700000000, -0.0024101300000000, -0.0008411000000000 ] - [ -0.0000383200000000, -0.0003303800000000, 0.0002313400000000 ] - [ 0.0024483200000000, -0.0003545100000000, -0.0007022200000000 ] - [ 0.0005230100000000, 0.0001008300000000, 0.0007067000000000 ] - [ 0.0002927300000000, -0.0002455500000000, -0.0008954100000000 ] - [ -0.0003712000000000, -0.0000256400000000, -0.0001777000000000 ] - [ 0.0010109900000000, -0.0007527000000000, 0.0004303200000000 ] - [ -0.0016514600000000, -0.0004337700000000, -0.0002505600000000 ] - [ -0.0016361700000000, -0.0002399000000000, 0.0008230300000000 ] - [ -0.0082072500000000, -0.0004527900000000, -0.0003503700000000 ] - [ -0.0000485500000000, 0.0002481000000000, -0.0000971600000000 ] - [ -0.0007354900000000, -0.0001888800000000, -0.0007171500000000 ] - [ 0.0004074000000000, -0.0000216600000000, 0.0001514700000000 ] - [ 0.0007100800000000, 0.0007484500000000, -0.0011245000000000 ] - [ 0.0004769800000000, 0.0001940400000000, 0.0008660700000000 ] - [ -0.0402556800000000, -0.0265390900000000, 0.0128691900000000 ] - [ -0.0002173900000000, 0.0001972000000000, 0.0000518000000000 ] - [ 0.0002998400000000, -0.0008647600000000, -0.0004815800000000 ] - [ 0.0000216700000000, -0.0001559200000000, 0.0005064900000000 ] - [ -0.0004676300000000, 0.0001966800000000, -0.0008372100000000 ] - [ -0.0003356800000000, -0.0002122200000000, 0.0014624900000000 ] - [ 0.0002201300000000, 0.0002680700000000, 0.0000113700000000 ] - [ 0.0001081500000000, -0.0003023900000000, -0.0001680000000000 ] - [ 0.0020503000000000, 0.0024267900000000, 0.0005955700000000 ] - [ 0.0063890700000000, 0.0026777800000000, -0.0053099300000000 ] - [ -0.0000645400000000, -0.0005109600000000, 0.0006746300000000 ] - [ 0.0002906000000000, -0.0001102100000000, 0.0002744500000000 ] - [ 0.0010158800000000, 0.0005591900000000, -0.0010037500000000 ] - [ -0.0001791200000000, -0.0006591000000000, -0.0005051100000000 ] - [ 0.0003598200000000, 0.0002097900000000, 0.0002616400000000 ] - [ -0.0042700900000000, -0.0007891700000000, -0.0012210800000000 ] - [ -0.0006771000000000, 0.0007085500000000, -0.0008602900000000 ] - [ -0.0002889900000000, 0.0000370900000000, 0.0002241300000000 ] - [ -0.0019993600000000, 0.0000960500000000, -0.0001314800000000 ] - [ -0.0002254800000000, -0.0002812700000000, 0.0002336200000000 ] - [ 0.0012977200000000, -0.0004256600000000, -0.0000348800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002750000000000, -0.0003834900000000, -0.0001296800000000 ] - [ 0.0002397300000000, -0.0004103500000000, 0.0003537200000000 ] - [ 0.0001511900000000, -0.0006150100000000, -0.0001604000000000 ] - [ -0.0005392300000000, -0.0007726100000000, -0.0004556700000000 ] - [ 0.0004523100000000, 0.0010844000000000, 0.0007844600000000 ] - [ -0.0003092500000000, -0.0006140800000000, 0.0004601000000000 ] - [ -0.0003615200000000, -0.0004621700000000, 0.0003564100000000 ] - [ 0.0001957900000000, -0.0002345000000000, 0.0001035400000000 ] - [ -0.0270066200000000, -0.0738291800000000, 0.0482543900000000 ] - [ 0.0049324300000000, -0.0054220600000000, 0.0053837500000000 ] - [ -0.0004997600000000, -0.0133355400000000, 0.0052096800000000 ] - [ -0.0068091200000000, 0.0058026200000000, -0.0047496600000000 ] - [ -0.0032070300000000, -0.0003795300000000, 0.0014376700000000 ] - [ -0.0001058200000000, -0.0008275500000000, 0.0001272300000000 ] - [ 0.0001222300000000, -0.0002674300000000, -0.0002666900000000 ] - [ 0.0003663600000000, -0.0003625100000000, 0.0003084200000000 ] - [ -0.0001046800000000, -0.0012943500000000, 0.0005535800000000 ] - [ 0.0100977900000000, 0.0143475100000000, 0.0045190700000000 ] - [ -0.0008892800000000, 0.0021094800000000, -0.0005637300000000 ] - [ -0.0055367600000000, 0.0080371700000000, -0.0003658100000000 ] - [ -0.0002548100000000, -0.0004886700000000, -0.0007413800000000 ] - [ 0.0000835200000000, -0.0008010400000000, -0.0000667300000000 ] - [ -0.0000134800000000, -0.0002031800000000, -0.0001072600000000 ] - [ -0.0001490900000000, 0.0002525900000000, 0.0000358000000000 ] - [ 0.0088278000000000, 0.0057397000000000, -0.0029787000000000 ] - [ 0.0003772600000000, 0.0013406500000000, -0.0000729700000000 ] - [ -0.0000315300000000, 0.0001411500000000, 0.0002432000000000 ] - [ -0.0001268500000000, -0.0003385600000000, 0.0003070000000000 ] - [ -0.0001072200000000, 0.0034758000000000, -0.0030581500000000 ] - [ 0.0010729500000000, -0.0010315400000000, -0.0007279300000000 ] - [ 0.0003402800000000, 0.0008531600000000, -0.0013811500000000 ] - [ 0.0013918100000000, 0.0028207400000000, 0.0001248200000000 ] - [ 0.0004279300000000, -0.0003926600000000, 0.0003748800000000 ] - [ -0.0008999500000000, 0.0019932100000000, -0.0000388600000000 ] - [ 0.0008279200000000, 0.0025813400000000, -0.0000765300000000 ] - [ -0.0000775800000000, 0.0002854000000000, 0.0004867500000000 ] - [ -0.0008370000000000, 0.0009532300000000, -0.0007295200000000 ] - [ 0.0008138400000000, -0.0015604500000000, 0.0000041300000000 ] - [ 0.0088700500000000, -0.0036351900000000, -0.0047162300000000 ] - [ -0.0003539100000000, -0.0004544100000000, -0.0002193100000000 ] - [ -0.0081286000000000, -0.0059634900000000, 0.0026104900000000 ] - [ 0.0007589900000000, 0.0008959700000000, 0.0009486300000000 ] - [ 0.0003597200000000, 0.0248742600000000, -0.0062964100000000 ] - [ -0.0009550500000000, -0.0001601900000000, 0.0006841700000000 ] - [ 0.0005962600000000, -0.0004334400000000, 0.0005897800000000 ] - [ 0.0000328000000000, -0.0037538100000000, 0.0008395600000000 ] - [ -0.0014169500000000, 0.0030719100000000, -0.0002340000000000 ] - [ 0.0001209200000000, 0.0001221300000000, -0.0008042000000000 ] - [ -0.0004090100000000, -0.0008895300000000, 0.0001048600000000 ] - [ 0.0010773300000000, -0.0012271500000000, -0.0008068700000000 ] - [ 0.0004837700000000, 0.0002810500000000, 0.0015292800000000 ] - [ -0.0081816500000000, 0.0078165600000000, -0.0101917000000000 ] - [ -0.0002297800000000, -0.0001684500000000, -0.0004879900000000 ] - [ -0.0021756000000000, 0.0001706800000000, -0.0009229100000000 ] - [ -0.0000269600000000, -0.0005914000000000, 0.0006179800000000 ] - [ -0.0034740000000000, 0.0016678400000000, -0.0008939200000000 ] - [ -0.0000755400000000, -0.0002032600000000, -0.0001088500000000 ] - [ 0.0006412700000000, 0.0001144900000000, -0.0005033500000000 ] - [ 0.0001583800000000, 0.0002440300000000, -0.0001114900000000 ] - [ -0.0001146600000000, 0.0015600400000000, -0.0001834500000000 ] - [ 0.0003194200000000, 0.0004008300000000, 0.0002264600000000 ] - [ -0.0002350800000000, -0.0008373400000000, 0.0004050900000000 ] - [ -0.0017032100000000, 0.0038493600000000, -0.0021874800000000 ] - [ 0.0001368800000000, 0.0001019100000000, -0.0002505500000000 ] - [ 0.0002618100000000, 0.0006278700000000, -0.0001799600000000 ] - [ 0.0020672900000000, -0.0072619400000000, 0.0034225600000000 ] - [ -0.0004072500000000, -0.0005803200000000, 0.0004013800000000 ] - [ 0.0001488600000000, -0.0006515400000000, 0.0004023400000000 ] - [ -0.0003281800000000, 0.0005872400000000, -0.0009856800000000 ] - [ -0.0005043600000000, -0.0038164800000000, -0.0004552300000000 ] - [ 0.0005101300000000, -0.0010447800000000, 0.0011275300000000 ] - [ 0.0000692500000000, -0.0080743000000000, -0.0008823800000000 ] - [ 0.0004296500000000, -0.0001572300000000, -0.0000096100000000 ] - [ 0.0017988700000000, 0.0280847800000000, -0.0296780200000000 ] - [ -0.0002610800000000, 0.0003062100000000, 0.0000463200000000 ] - [ 0.0001512500000000, -0.0003286600000000, -0.0000991200000000 ] - [ -0.0008463900000000, 0.0033408300000000, 0.0012790800000000 ] - [ 0.0002315800000000, 0.0002804300000000, -0.0000828200000000 ] - [ -0.0000020800000000, -0.0003035300000000, 0.0000925500000000 ] - [ -0.0014449300000000, 0.0012049700000000, -0.0020840300000000 ] - [ 0.0002992200000000, 0.0009023900000000, -0.0008570600000000 ] - [ 0.0011750500000000, 0.0007235700000000, -0.0004847600000000 ] - [ -0.0000361400000000, -0.0002199800000000, 0.0001148000000000 ] - [ -0.0001186900000000, -0.0001945500000000, -0.0005117600000000 ] - [ 0.0018132000000000, 0.0001510200000000, 0.0013634600000000 ] - [ 0.0001798600000000, -0.0001251400000000, 0.0001774400000000 ] - [ 0.0003646000000000, -0.0005500100000000, -0.0000645600000000 ] - [ 0.0002437200000000, -0.0000837100000000, 0.0001623200000000 ] - [ -0.0003248100000000, 0.0003613500000000, 0.0000583300000000 ] - [ -0.0003138300000000, -0.0000690300000000, -0.0002591600000000 ] - [ 0.0016644700000000, -0.0003539600000000, -0.0000955600000000 ] - [ 0.0000523500000000, -0.0002303300000000, 0.0006851800000000 ] - [ -0.0031367000000000, -0.0053701700000000, 0.0018586500000000 ] - [ 0.0008260200000000, 0.0056645100000000, -0.0026231900000000 ] - [ -0.0000540900000000, 0.0002505300000000, -0.0000566700000000 ] - [ -0.0003734800000000, 0.0001195300000000, -0.0007694800000000 ] - [ 0.0003618200000000, 0.0000239000000000, 0.0001085900000000 ] - [ 0.0002970100000000, -0.0005002500000000, 0.0003355100000000 ] - [ 0.0003854100000000, 0.0001811700000000, 0.0008283500000000 ] - [ 0.0283055800000000, 0.0214265400000000, -0.0058943500000000 ] - [ 0.0003570300000000, -0.0001375000000000, -0.0001091700000000 ] - [ 0.0002600400000000, -0.0009023500000000, -0.0005202700000000 ] - [ 0.0000410000000000, -0.0001978600000000, 0.0004281100000000 ] - [ -0.0004129800000000, 0.0001785500000000, -0.0009561900000000 ] - [ 0.0010032300000000, 0.0017672600000000, 0.0008525600000000 ] - [ 0.0001011000000000, 0.0006403400000000, -0.0002240900000000 ] - [ -0.0000324900000000, -0.0002662400000000, -0.0001446300000000 ] - [ 0.0000931900000000, -0.0019603600000000, 0.0010229100000000 ] - [ -0.0023056200000000, -0.0010989500000000, 0.0022438400000000 ] - [ -0.0002834800000000, -0.0002099300000000, 0.0002299900000000 ] - [ 0.0001226900000000, -0.0004298200000000, 0.0004776100000000 ] - [ -0.0005041700000000, -0.0008259800000000, 0.0003646200000000 ] - [ -0.0002245700000000, -0.0006911500000000, -0.0004617200000000 ] - [ -0.0005604800000000, 0.0003521600000000, 0.0002376400000000 ] - [ -0.0021239200000000, -0.0052720300000000, -0.0005295900000000 ] - [ 0.0017100300000000, -0.0006958300000000, -0.0003195200000000 ] - [ -0.0005777900000000, -0.0001076200000000, 0.0001061800000000 ] - [ 0.0000770400000000, 0.0017390300000000, -0.0012529000000000 ] - [ 0.0002444800000000, -0.0003991300000000, -0.0001685100000000 ] - [ 0.0003253500000000, -0.0004486200000000, -0.0000632500000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004216700000000, -0.0001175600000000, 0.0000656800000000 ] - [ -0.0000215400000000, -0.0003042900000000, 0.0001333200000000 ] - [ 0.0003792800000000, -0.0003451900000000, -0.0004240800000000 ] - [ -0.0001853800000000, -0.0000710600000000, -0.0001362900000000 ] - [ -0.0002283400000000, -0.0003644800000000, -0.0002804700000000 ] - [ 0.0000179700000000, -0.0005803400000000, 0.0005428800000000 ] - [ -0.0001744200000000, -0.0004968700000000, 0.0002233800000000 ] - [ -0.0000413100000000, -0.0002666800000000, -0.0000220600000000 ] - [ 0.0274560200000000, 0.0753200500000000, -0.0466954600000000 ] - [ -0.0050510800000000, 0.0050568600000000, -0.0056725500000000 ] - [ 0.0001955400000000, 0.0146013400000000, -0.0041600800000000 ] - [ 0.0075170300000000, -0.0049815900000000, 0.0052830900000000 ] - [ 0.0029709900000000, 0.0010781400000000, -0.0019110900000000 ] - [ -0.0001150700000000, -0.0008166400000000, 0.0000334200000000 ] - [ 0.0001170400000000, -0.0003656900000000, -0.0003661100000000 ] - [ 0.0003594800000000, -0.0004826700000000, 0.0002863600000000 ] - [ 0.0002454200000000, 0.0017796200000000, -0.0004842200000000 ] - [ -0.0104758700000000, -0.0137999400000000, -0.0039552300000000 ] - [ 0.0007216200000000, -0.0015984900000000, 0.0004874200000000 ] - [ 0.0057099900000000, -0.0083674200000000, 0.0006389300000000 ] - [ 0.0005460900000000, -0.0007044100000000, -0.0002621000000000 ] - [ 0.0001383000000000, -0.0008403700000000, -0.0000916600000000 ] - [ -0.0002111900000000, -0.0005118100000000, -0.0003944500000000 ] - [ 0.0000089900000000, 0.0000474700000000, -0.0003426200000000 ] - [ -0.0093233000000000, -0.0048049200000000, 0.0035065400000000 ] - [ -0.0000849400000000, -0.0001470200000000, -0.0009255000000000 ] - [ 0.0001752900000000, 0.0001570600000000, 0.0000697200000000 ] - [ -0.0001129400000000, -0.0002954200000000, 0.0003256500000000 ] - [ 0.0006644900000000, -0.0024842000000000, 0.0024881900000000 ] - [ -0.0008279800000000, 0.0016462800000000, 0.0000905400000000 ] - [ -0.0010605000000000, -0.0000040900000000, 0.0007787100000000 ] - [ -0.0011535700000000, -0.0011725700000000, -0.0002745500000000 ] - [ 0.0003980000000000, -0.0004160700000000, 0.0002703600000000 ] - [ -0.0010345000000000, -0.0013523900000000, -0.0001218200000000 ] - [ -0.0010138200000000, -0.0022869700000000, 0.0010784600000000 ] - [ -0.0001074300000000, -0.0005996400000000, 0.0005135300000000 ] - [ -0.0008114300000000, 0.0009055600000000, -0.0009046600000000 ] - [ 0.0011229600000000, 0.0022031500000000, 0.0001549100000000 ] - [ -0.0096157300000000, 0.0043995000000000, 0.0040348200000000 ] - [ -0.0004727200000000, -0.0003534600000000, -0.0004226600000000 ] - [ 0.0096796500000000, 0.0041615300000000, -0.0009459800000000 ] - [ 0.0008885600000000, 0.0009631400000000, 0.0006876700000000 ] - [ -0.0019918600000000, -0.0265432700000000, 0.0046865300000000 ] - [ -0.0009854300000000, -0.0004896200000000, -0.0008324800000000 ] - [ 0.0013412000000000, -0.0002157200000000, -0.0004298800000000 ] - [ 0.0001552500000000, 0.0034518200000000, -0.0018364600000000 ] - [ 0.0022191700000000, -0.0022660700000000, 0.0008703200000000 ] - [ 0.0000639800000000, 0.0001922900000000, -0.0001977200000000 ] - [ -0.0001290200000000, 0.0004153100000000, -0.0000978500000000 ] - [ 0.0001192700000000, 0.0011266700000000, 0.0002197400000000 ] - [ 0.0002406800000000, -0.0001138600000000, -0.0004196400000000 ] - [ 0.0084509000000000, -0.0081766300000000, 0.0102453600000000 ] - [ -0.0004927300000000, -0.0000028800000000, -0.0006126500000000 ] - [ 0.0023199700000000, 0.0002948300000000, 0.0006536500000000 ] - [ 0.0005039800000000, 0.0004394700000000, -0.0008138700000000 ] - [ 0.0038237600000000, -0.0003563500000000, 0.0018048600000000 ] - [ 0.0000195000000000, -0.0003751800000000, -0.0001176800000000 ] - [ 0.0005559500000000, -0.0000163600000000, -0.0000882700000000 ] - [ 0.0000404900000000, 0.0002600500000000, 0.0001236900000000 ] - [ -0.0008917800000000, -0.0022040500000000, 0.0001616800000000 ] - [ 0.0004050400000000, -0.0005735600000000, 0.0008743700000000 ] - [ -0.0002725800000000, -0.0009068700000000, 0.0005138200000000 ] - [ 0.0010339300000000, -0.0037861200000000, 0.0018234300000000 ] - [ 0.0000584100000000, 0.0004275000000000, 0.0001163000000000 ] - [ -0.0007640700000000, -0.0000706100000000, 0.0000240600000000 ] - [ -0.0012364200000000, 0.0068752400000000, -0.0016604300000000 ] - [ 0.0005336200000000, 0.0010617400000000, -0.0001294000000000 ] - [ 0.0002241600000000, -0.0006607000000000, 0.0005207800000000 ] - [ -0.0001195000000000, -0.0002072700000000, -0.0000911800000000 ] - [ -0.0002140500000000, 0.0039981100000000, -0.0006372400000000 ] - [ 0.0004899400000000, 0.0016852400000000, -0.0011039500000000 ] - [ 0.0006220200000000, 0.0081209700000000, 0.0012156900000000 ] - [ 0.0000793000000000, 0.0007149200000000, 0.0001647900000000 ] - [ -0.0017666200000000, -0.0270943100000000, 0.0280329100000000 ] - [ -0.0001976000000000, 0.0002864500000000, 0.0000764900000000 ] - [ 0.0000088300000000, -0.0001364200000000, -0.0001622500000000 ] - [ 0.0006891200000000, -0.0029089200000000, -0.0021770700000000 ] - [ 0.0002260400000000, 0.0003132100000000, -0.0000402600000000 ] - [ 0.0000587400000000, -0.0002736500000000, 0.0001313200000000 ] - [ 0.0019907100000000, -0.0007418200000000, 0.0020801000000000 ] - [ -0.0008101300000000, -0.0014688300000000, 0.0007060500000000 ] - [ -0.0019679600000000, -0.0010875600000000, -0.0012550300000000 ] - [ -0.0001240700000000, -0.0002461600000000, 0.0001451100000000 ] - [ -0.0000372700000000, -0.0002187200000000, -0.0003986600000000 ] - [ -0.0023328400000000, 0.0015603700000000, -0.0004628100000000 ] - [ -0.0000489500000000, -0.0003728100000000, 0.0000948300000000 ] - [ 0.0000904200000000, -0.0000464900000000, -0.0000578900000000 ] - [ 0.0002958900000000, -0.0003919200000000, -0.0001695200000000 ] - [ -0.0002122600000000, 0.0001105200000000, -0.0000519300000000 ] - [ -0.0003801700000000, 0.0000153100000000, -0.0000947300000000 ] - [ -0.0015971800000000, 0.0009354600000000, 0.0003250700000000 ] - [ -0.0002467100000000, -0.0003077600000000, -0.0005537500000000 ] - [ 0.0029089500000000, 0.0048431300000000, -0.0018563500000000 ] - [ -0.0008195800000000, -0.0058278300000000, 0.0023996200000000 ] - [ -0.0001462000000000, 0.0002537400000000, 0.0000436300000000 ] - [ -0.0000759500000000, -0.0005065700000000, -0.0003072400000000 ] - [ 0.0003328100000000, -0.0000771000000000, 0.0002433100000000 ] - [ 0.0001813100000000, 0.0006484500000000, -0.0005215800000000 ] - [ 0.0004307000000000, 0.0001841100000000, 0.0009200200000000 ] - [ -0.0297109800000000, -0.0221433500000000, 0.0062317600000000 ] - [ 0.0000898300000000, 0.0005193500000000, 0.0011709400000000 ] - [ 0.0002476600000000, -0.0008404400000000, -0.0003994700000000 ] - [ 0.0001156200000000, -0.0002155800000000, 0.0004809000000000 ] - [ -0.0004011400000000, 0.0001865200000000, -0.0007909900000000 ] - [ -0.0014856700000000, -0.0016140800000000, -0.0006691000000000 ] - [ -0.0002961900000000, -0.0001099600000000, 0.0003546200000000 ] - [ -0.0000987600000000, -0.0002317300000000, -0.0001293400000000 ] - [ 0.0000683100000000, 0.0023559600000000, -0.0001123400000000 ] - [ 0.0022267700000000, 0.0016550300000000, -0.0024403600000000 ] - [ -0.0001924100000000, 0.0000501200000000, -0.0000403800000000 ] - [ 0.0003251300000000, 0.0000441300000000, 0.0005958400000000 ] - [ 0.0007008600000000, 0.0002977900000000, -0.0004975700000000 ] - [ -0.0001472500000000, -0.0006198200000000, -0.0004611700000000 ] - [ -0.0004433400000000, 0.0002801900000000, -0.0002580500000000 ] - [ 0.0025938600000000, 0.0074349100000000, -0.0000883900000000 ] - [ -0.0020655500000000, 0.0019965800000000, -0.0006083900000000 ] - [ -0.0006198900000000, 0.0002045800000000, 0.0004825100000000 ] - [ -0.0012720600000000, -0.0018292600000000, 0.0018356400000000 ] - [ 0.0002672200000000, -0.0001623100000000, 0.0003182900000000 ] - [ 0.0006768600000000, -0.0001889800000000, 0.0000853700000000 ]- atom: 9 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ -0.0005708100000000, -0.0004416600000000, 0.0014876700000000 ] - [ 0.0004175300000000, -0.0002062800000000, 0.0018891800000000 ] - [ 0.0003135000000000, -0.0006362400000000, 0.0008533600000000 ] - [ -0.0001031500000000, -0.0004587500000000, 0.0019080600000000 ] - [ -0.0008127400000000, -0.0001533400000000, -0.0032495700000000 ] - [ -0.0005965900000000, -0.0006575300000000, 0.0019134600000000 ] - [ -0.0003443300000000, -0.0002535000000000, 0.0016123500000000 ] - [ 0.0003092400000000, -0.0003807000000000, 0.0016641500000000 ] - [ 0.0392590200000000, 0.0551200900000000, -0.1017650600000000 ] - [ 0.0046614900000000, 0.0015642100000000, 0.0060042200000000 ] - [ -0.0039840500000000, 0.0056434200000000, 0.0226763200000000 ] - [ 0.0092695700000000, -0.0058671000000000, -0.0012377900000000 ] - [ -0.0016472200000000, 0.0024123800000000, 0.0019052600000000 ] - [ -0.0001520400000000, -0.0008611200000000, 0.0012905200000000 ] - [ 0.0003227000000000, -0.0004211600000000, 0.0011336500000000 ] - [ 0.0003663400000000, -0.0005766700000000, 0.0016027300000000 ] - [ -0.0011679900000000, 0.0011028900000000, -0.0030308600000000 ] - [ 0.0086462900000000, -0.0003603300000000, -0.0087432700000000 ] - [ -0.0005567800000000, -0.0012669800000000, 0.0010670200000000 ] - [ -0.0058040900000000, 0.0040372000000000, -0.0028417600000000 ] - [ 0.0009043700000000, -0.0006542500000000, 0.0004835200000000 ] - [ 0.0001722900000000, -0.0007959600000000, 0.0011756000000000 ] - [ -0.0004250100000000, -0.0001448200000000, 0.0012178700000000 ] - [ -0.0000493400000000, 0.0002959600000000, 0.0009869000000000 ] - [ -0.0099579100000000, -0.0079205800000000, -0.0013155000000000 ] - [ 0.0002830300000000, 0.0007847400000000, 0.0001961400000000 ] - [ 0.0000066200000000, -0.0000036400000000, 0.0015543300000000 ] - [ -0.0001456700000000, -0.0001581300000000, 0.0014916300000000 ] - [ 0.0024627500000000, -0.0012498000000000, 0.0020979300000000 ] - [ -0.0008923400000000, 0.0009147100000000, -0.0005853400000000 ] - [ -0.0013525000000000, 0.0004527000000000, 0.0004861200000000 ] - [ -0.0001084500000000, 0.0012245000000000, -0.0020173500000000 ] - [ 0.0002874200000000, -0.0003434300000000, 0.0025476700000000 ] - [ -0.0019687100000000, -0.0002608000000000, 0.0000222100000000 ] - [ 0.0001675800000000, -0.0011167400000000, 0.0041912900000000 ] - [ -0.0003579500000000, -0.0001220400000000, 0.0023263700000000 ] - [ -0.0009856700000000, 0.0009849900000000, 0.0010573100000000 ] - [ 0.0004908700000000, -0.0005010500000000, 0.0043820200000000 ] - [ -0.0198063300000000, 0.0007754500000000, 0.0031693600000000 ] - [ -0.0005187500000000, -0.0004089900000000, 0.0020993400000000 ] - [ 0.0022085200000000, 0.0023781300000000, -0.0148485900000000 ] - [ 0.0008965800000000, 0.0008764300000000, 0.0029365400000000 ] - [ 0.0016562200000000, 0.0080552900000000, -0.0154959200000000 ] - [ -0.0008621300000000, -0.0001199500000000, 0.0022087000000000 ] - [ -0.0026790300000000, -0.0004418300000000, 0.0007675800000000 ] - [ 0.0039558400000000, 0.0015152000000000, -0.0004684300000000 ] - [ -0.0002301100000000, -0.0003898100000000, -0.0033441900000000 ] - [ 0.0006669200000000, 0.0001486800000000, 0.0016715400000000 ] - [ -0.0001926900000000, 0.0002571400000000, -0.0015508900000000 ] - [ 0.0015778300000000, 0.0001562100000000, 0.0005743100000000 ] - [ -0.0004645900000000, 0.0002875100000000, -0.0006856400000000 ] - [ 0.0076263400000000, -0.0054757200000000, 0.0204863200000000 ] - [ -0.0005973700000000, -0.0000365700000000, -0.0017643100000000 ] - [ -0.0012747700000000, -0.0004968600000000, -0.0000582400000000 ] - [ 0.0004867100000000, 0.0001028600000000, -0.0019235600000000 ] - [ 0.0060398700000000, -0.0002601900000000, 0.0046434800000000 ] - [ 0.0001647900000000, -0.0007559600000000, -0.0014190900000000 ] - [ 0.0007175700000000, 0.0002482300000000, -0.0013509200000000 ] - [ 0.0002172300000000, 0.0002101200000000, -0.0010968600000000 ] - [ -0.0031756900000000, -0.0006906600000000, -0.0022731900000000 ] - [ -0.0004487800000000, -0.0003711000000000, -0.0002058300000000 ] - [ -0.0003278300000000, -0.0007037200000000, -0.0005665400000000 ] - [ 0.0032871600000000, -0.0027061100000000, 0.0057116800000000 ] - [ 0.0002226900000000, -0.0000681600000000, -0.0010978800000000 ] - [ 0.0007104500000000, 0.0004462400000000, -0.0013361800000000 ] - [ 0.0006215300000000, -0.0012831100000000, 0.0067581000000000 ] - [ -0.0003948900000000, 0.0005296300000000, 0.0003484100000000 ] - [ -0.0001905200000000, -0.0006728700000000, -0.0010404000000000 ] - [ 0.0007475300000000, 0.0000701600000000, 0.0005919100000000 ] - [ 0.0003630600000000, 0.0008475600000000, -0.0021295000000000 ] - [ -0.0005380600000000, 0.0014965600000000, -0.0013589900000000 ] - [ -0.0005093500000000, -0.0015135800000000, 0.0017754800000000 ] - [ 0.0004213700000000, 0.0004314000000000, 0.0001184600000000 ] - [ -0.0070098000000000, -0.0283720700000000, 0.0455961300000000 ] - [ 0.0002157200000000, 0.0004492200000000, -0.0008723100000000 ] - [ -0.0000841900000000, -0.0001904600000000, -0.0009818100000000 ] - [ 0.0033850400000000, -0.0013966300000000, -0.0014347400000000 ] - [ 0.0005683600000000, 0.0001354100000000, -0.0009942300000000 ] - [ 0.0001407200000000, 0.0000993800000000, -0.0009759000000000 ] - [ -0.0014632900000000, -0.0003939500000000, 0.0018321300000000 ] - [ 0.0026060200000000, -0.0006657000000000, -0.0021183200000000 ] - [ -0.0009828800000000, -0.0004770800000000, 0.0010682400000000 ] - [ 0.0000758300000000, -0.0002837000000000, -0.0008287700000000 ] - [ -0.0000440100000000, 0.0002008500000000, -0.0015145200000000 ] - [ 0.0005317800000000, 0.0018393000000000, 0.0045760200000000 ] - [ -0.0003380600000000, -0.0001384800000000, -0.0008852000000000 ] - [ 0.0005334200000000, -0.0004449200000000, 0.0011643500000000 ] - [ 0.0001358000000000, -0.0006826300000000, -0.0011418300000000 ] - [ -0.0000106100000000, -0.0003701000000000, -0.0009430800000000 ] - [ -0.0003589000000000, -0.0005040900000000, -0.0013131700000000 ] - [ -0.0006535100000000, 0.0009806200000000, 0.0027563900000000 ] - [ -0.0000422900000000, -0.0000273700000000, -0.0017366200000000 ] - [ -0.0022068600000000, -0.0009975000000000, 0.0057010300000000 ] - [ -0.0038682300000000, -0.0004159300000000, 0.0069153200000000 ] - [ 0.0000639000000000, 0.0002958200000000, -0.0011745100000000 ] - [ -0.0008952600000000, -0.0000482300000000, -0.0024100800000000 ] - [ 0.0003387000000000, 0.0004260900000000, -0.0007883600000000 ] - [ 0.0004883100000000, 0.0006052800000000, -0.0009984600000000 ] - [ 0.0001774200000000, 0.0001045900000000, -0.0001562900000000 ] - [ -0.0295673400000000, -0.0161992300000000, 0.0106099200000000 ] - [ 0.0000476500000000, -0.0000102200000000, -0.0005886500000000 ] - [ 0.0002131100000000, -0.0010142800000000, -0.0013916500000000 ] - [ 0.0000596900000000, -0.0005924300000000, -0.0004965600000000 ] - [ -0.0008139400000000, 0.0002264400000000, -0.0021485000000000 ] - [ -0.0027188900000000, -0.0003099400000000, 0.0003681800000000 ] - [ 0.0006808400000000, 0.0007697100000000, -0.0006695900000000 ] - [ -0.0000580600000000, -0.0002304200000000, -0.0011248700000000 ] - [ 0.0011304700000000, 0.0013710400000000, 0.0021372200000000 ] - [ 0.0028678900000000, 0.0015033800000000, -0.0019426800000000 ] - [ -0.0003114500000000, 0.0003556200000000, -0.0008545300000000 ] - [ 0.0006536800000000, -0.0001079300000000, 0.0001467100000000 ] - [ 0.0012458600000000, 0.0000336700000000, 0.0002753300000000 ] - [ -0.0003725400000000, -0.0006267600000000, -0.0017647900000000 ] - [ -0.0004827500000000, 0.0002585600000000, -0.0007115400000000 ] - [ -0.0025797800000000, -0.0055002000000000, 0.0068434600000000 ] - [ 0.0009696300000000, 0.0002515800000000, 0.0011751000000000 ] - [ 0.0002258300000000, -0.0005163300000000, -0.0004947100000000 ] - [ -0.0003143400000000, 0.0002860700000000, -0.0024441900000000 ] - [ 0.0003527700000000, -0.0003616400000000, -0.0006367200000000 ] - [ 0.0007339600000000, -0.0004772100000000, -0.0009127500000000 ]- atom: 9 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ 0.0004241200000000, -0.0000547900000000, -0.0015526500000000 ] - [ -0.0001989800000000, -0.0005060100000000, -0.0014022100000000 ] - [ 0.0002173300000000, -0.0003217700000000, -0.0014392500000000 ] - [ -0.0006214700000000, -0.0003800300000000, -0.0025051800000000 ] - [ 0.0010384700000000, 0.0008649500000000, 0.0037552700000000 ] - [ 0.0003036000000000, -0.0005354300000000, -0.0009106900000000 ] - [ -0.0001906500000000, -0.0007049900000000, -0.0010338100000000 ] - [ -0.0001558900000000, -0.0001195400000000, -0.0015829300000000 ] - [ -0.0387724500000000, -0.0542564600000000, 0.1047280400000000 ] - [ -0.0047656000000000, -0.0018524200000000, -0.0063130700000000 ] - [ 0.0037308700000000, -0.0045077300000000, -0.0220059200000000 ] - [ -0.0085367000000000, 0.0067051600000000, 0.0018459000000000 ] - [ 0.0014205400000000, -0.0016821100000000, -0.0023865400000000 ] - [ -0.0000698900000000, -0.0007812600000000, -0.0011308600000000 ] - [ -0.0000828100000000, -0.0002116800000000, -0.0017663000000000 ] - [ 0.0003594800000000, -0.0002686100000000, -0.0010102300000000 ] - [ 0.0013183000000000, -0.0006053400000000, 0.0030986200000000 ] - [ -0.0088766000000000, 0.0010220000000000, 0.0094026900000000 ] - [ 0.0003974600000000, 0.0017612200000000, -0.0011533700000000 ] - [ 0.0059463300000000, -0.0043576000000000, 0.0031433500000000 ] - [ -0.0006120200000000, -0.0005361900000000, -0.0014837900000000 ] - [ 0.0000492100000000, -0.0008429900000000, -0.0013352100000000 ] - [ 0.0001988500000000, -0.0005715900000000, -0.0017202000000000 ] - [ -0.0000900000000000, 0.0000057700000000, -0.0012948100000000 ] - [ 0.0094519100000000, 0.0089500700000000, 0.0018822300000000 ] - [ 0.0000080700000000, 0.0004079500000000, -0.0012042800000000 ] - [ 0.0001370100000000, 0.0003055700000000, -0.0012428600000000 ] - [ -0.0000950700000000, -0.0004738000000000, -0.0008602400000000 ] - [ -0.0019042800000000, 0.0022062400000000, -0.0026924000000000 ] - [ 0.0011256000000000, -0.0002847300000000, -0.0000494800000000 ] - [ 0.0006263800000000, 0.0003911000000000, -0.0010866100000000 ] - [ 0.0003288600000000, 0.0004188100000000, 0.0018563600000000 ] - [ 0.0005402400000000, -0.0004636300000000, -0.0019040600000000 ] - [ 0.0000318400000000, 0.0009105800000000, -0.0001798600000000 ] - [ -0.0003536200000000, 0.0014205000000000, -0.0031740400000000 ] - [ 0.0001709300000000, -0.0001907900000000, -0.0013298400000000 ] - [ -0.0006626000000000, 0.0008758600000000, -0.0026930000000000 ] - [ 0.0014401800000000, 0.0011358400000000, -0.0042025200000000 ] - [ 0.0189110700000000, -0.0000481500000000, -0.0038454700000000 ] - [ -0.0003079400000000, -0.0003980100000000, -0.0027434500000000 ] - [ -0.0006582100000000, -0.0042487800000000, 0.0165385700000000 ] - [ 0.0007508300000000, 0.0009847800000000, -0.0013028900000000 ] - [ -0.0033121700000000, -0.0099451500000000, 0.0138558800000000 ] - [ -0.0010708800000000, -0.0005261500000000, -0.0023655500000000 ] - [ 0.0046324100000000, -0.0002055300000000, -0.0006123600000000 ] - [ -0.0037873300000000, -0.0018292600000000, -0.0005218500000000 ] - [ 0.0010567800000000, 0.0011986500000000, 0.0039782700000000 ] - [ -0.0004797100000000, 0.0001661000000000, -0.0026727000000000 ] - [ -0.0003449900000000, -0.0007275900000000, 0.0015509900000000 ] - [ -0.0003782400000000, -0.0002584100000000, -0.0011665200000000 ] - [ 0.0011834700000000, -0.0001183000000000, 0.0017881200000000 ] - [ -0.0072058400000000, 0.0049129300000000, -0.0205275800000000 ] - [ -0.0001228800000000, -0.0001336300000000, 0.0006690500000000 ] - [ 0.0014369100000000, 0.0009604300000000, -0.0001988700000000 ] - [ -0.0000099000000000, -0.0002611400000000, 0.0017241400000000 ] - [ -0.0056822900000000, 0.0015761800000000, -0.0037299700000000 ] - [ -0.0002220300000000, 0.0001779000000000, 0.0011936500000000 ] - [ 0.0004788000000000, -0.0001481700000000, 0.0007595500000000 ] - [ -0.0000181400000000, 0.0002964800000000, 0.0011104000000000 ] - [ 0.0021851600000000, 0.0000555000000000, 0.0022582000000000 ] - [ 0.0011728200000000, 0.0002027200000000, 0.0013005200000000 ] - [ -0.0001818800000000, -0.0010395400000000, 0.0014836200000000 ] - [ -0.0039771600000000, 0.0027694100000000, -0.0061058200000000 ] - [ -0.0000297600000000, 0.0005986000000000, 0.0009643400000000 ] - [ -0.0012133800000000, 0.0001131700000000, 0.0011790000000000 ] - [ 0.0001915300000000, 0.0009165400000000, -0.0050153500000000 ] - [ 0.0005280800000000, -0.0000373700000000, -0.0000710900000000 ] - [ 0.0005614800000000, -0.0006359000000000, 0.0019596000000000 ] - [ -0.0011988200000000, 0.0003140500000000, -0.0016674100000000 ] - [ -0.0010812700000000, -0.0006739200000000, 0.0010229900000000 ] - [ 0.0015386800000000, -0.0008595800000000, 0.0013738100000000 ] - [ 0.0012025100000000, 0.0015724500000000, -0.0014156500000000 ] - [ 0.0000848500000000, 0.0001258200000000, 0.0000333800000000 ] - [ 0.0069427600000000, 0.0307585800000000, -0.0480064500000000 ] - [ -0.0006714900000000, 0.0001480300000000, 0.0009930800000000 ] - [ 0.0002443900000000, -0.0002709500000000, 0.0007194600000000 ] - [ -0.0035224200000000, 0.0018131500000000, 0.0005298700000000 ] - [ -0.0001115000000000, 0.0004611200000000, 0.0008713800000000 ] - [ -0.0000816500000000, -0.0006789000000000, 0.0012001000000000 ] - [ 0.0020039000000000, 0.0008697500000000, -0.0018455500000000 ] - [ -0.0031275400000000, 0.0001090300000000, 0.0019751700000000 ] - [ 0.0001860900000000, 0.0001174800000000, -0.0028124100000000 ] - [ -0.0002352200000000, -0.0001788400000000, 0.0010873200000000 ] - [ -0.0001127300000000, -0.0006130700000000, 0.0006059700000000 ] - [ -0.0010354700000000, -0.0001034400000000, -0.0036690400000000 ] - [ 0.0004678900000000, -0.0003606900000000, 0.0011567100000000 ] - [ -0.0000786700000000, -0.0001552800000000, -0.0012840600000000 ] - [ 0.0004025900000000, 0.0002093800000000, 0.0011368700000000 ] - [ -0.0005251900000000, 0.0008413900000000, 0.0009471400000000 ] - [ -0.0003365300000000, 0.0004518400000000, 0.0009586200000000 ] - [ 0.0007079900000000, -0.0004028100000000, -0.0025304000000000 ] - [ -0.0001541300000000, -0.0004970100000000, 0.0018598800000000 ] - [ 0.0020121500000000, 0.0004874600000000, -0.0057179600000000 ] - [ 0.0038045800000000, 0.0004119800000000, -0.0069243000000000 ] - [ -0.0002625400000000, 0.0002098600000000, 0.0011582700000000 ] - [ 0.0004446500000000, -0.0003353300000000, 0.0013314800000000 ] - [ 0.0003565100000000, -0.0004794000000000, 0.0011407900000000 ] - [ -0.0000098000000000, -0.0004516000000000, 0.0008098200000000 ] - [ 0.0006365900000000, 0.0002624600000000, 0.0019009400000000 ] - [ 0.0280639400000000, 0.0149332500000000, -0.0105417300000000 ] - [ 0.0003983100000000, 0.0003933000000000, 0.0016584000000000 ] - [ 0.0002951200000000, -0.0007259600000000, 0.0004729800000000 ] - [ 0.0000971700000000, 0.0001819500000000, 0.0014045400000000 ] - [ 0.0000012500000000, 0.0001401000000000, 0.0004045300000000 ] - [ 0.0022452100000000, 0.0004625800000000, -0.0001849800000000 ] - [ -0.0008767200000000, -0.0002407900000000, 0.0008005100000000 ] - [ -0.0000735100000000, -0.0002668500000000, 0.0008501600000000 ] - [ -0.0009766800000000, -0.0009629100000000, -0.0012293300000000 ] - [ -0.0029404000000000, -0.0009321900000000, 0.0017424800000000 ] - [ -0.0001626900000000, -0.0005118200000000, 0.0010437800000000 ] - [ -0.0002068500000000, -0.0002773500000000, 0.0009216900000000 ] - [ -0.0010526100000000, -0.0005669600000000, -0.0004077600000000 ] - [ -0.0000010300000000, -0.0006819900000000, 0.0008414700000000 ] - [ -0.0005206200000000, 0.0003737300000000, 0.0006895300000000 ] - [ 0.0030901100000000, 0.0074090700000000, -0.0076392300000000 ] - [ -0.0013441200000000, 0.0010548100000000, -0.0020944700000000 ] - [ -0.0014273900000000, 0.0006192100000000, 0.0010844600000000 ] - [ -0.0008849500000000, -0.0003909900000000, 0.0030140100000000 ] - [ 0.0001529600000000, -0.0001981200000000, 0.0007900400000000 ] - [ 0.0002688200000000, -0.0001555600000000, 0.0009384100000000 ]- atom: 10 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ -0.0001777000000000, -0.0003146100000000, -0.0000047000000000 ] - [ -0.0019911500000000, -0.0008576700000000, -0.0005434900000000 ] - [ 0.0003690700000000, -0.0005312600000000, -0.0003291900000000 ] - [ -0.0003892200000000, -0.0004498100000000, -0.0002600200000000 ] - [ 0.0005979700000000, 0.0002722500000000, -0.0000585400000000 ] - [ 0.0032335700000000, -0.0004125600000000, -0.0001146200000000 ] - [ 0.0003818300000000, -0.0002802200000000, 0.0000888100000000 ] - [ -0.0016781200000000, 0.0006098200000000, -0.0003954300000000 ] - [ -0.0022814500000000, 0.0058137000000000, 0.0042586400000000 ] - [ -0.1161293300000000, -0.0393575200000000, 0.0017812200000000 ] - [ -0.0003832400000000, 0.0010702500000000, 0.0007022500000000 ] - [ 0.0012316800000000, 0.0007933400000000, 0.0012961700000000 ] - [ 0.0126406000000000, -0.0052851300000000, 0.0009847700000000 ] - [ 0.0000679000000000, -0.0007418400000000, 0.0001943400000000 ] - [ 0.0000796500000000, -0.0002406400000000, -0.0002906400000000 ] - [ 0.0007486100000000, -0.0004129700000000, 0.0016072600000000 ] - [ 0.0008532600000000, 0.0003611400000000, -0.0004383400000000 ] - [ 0.0002295400000000, -0.0004547900000000, 0.0008597300000000 ] - [ 0.0023780200000000, 0.0003697600000000, 0.0008508200000000 ] - [ -0.0007152100000000, -0.0006575200000000, -0.0004803900000000 ] - [ 0.0003319600000000, -0.0006166800000000, -0.0004768800000000 ] - [ 0.0000975100000000, -0.0009231600000000, -0.0001587100000000 ] - [ -0.0001995800000000, -0.0002951300000000, -0.0002392000000000 ] - [ 0.0000241100000000, 0.0002006200000000, -0.0001791200000000 ] - [ -0.0019037500000000, 0.0010488900000000, -0.0002764900000000 ] - [ -0.0017778800000000, 0.0086417800000000, 0.0076280200000000 ] - [ 0.0009177200000000, -0.0001138000000000, -0.0003364400000000 ] - [ 0.0004978200000000, -0.0002323100000000, 0.0013283200000000 ] - [ -0.0068377100000000, -0.0009595900000000, -0.0010549300000000 ] - [ 0.0147545700000000, 0.0003735200000000, -0.0024630600000000 ] - [ 0.0031177600000000, -0.0006488300000000, 0.0006759300000000 ] - [ 0.0007572600000000, 0.0064480500000000, -0.0063514100000000 ] - [ 0.0001648400000000, -0.0004644400000000, 0.0005946500000000 ] - [ -0.0009049900000000, 0.0004255400000000, -0.0004517300000000 ] - [ -0.0004431500000000, 0.0000298300000000, 0.0007491900000000 ] - [ 0.0041100800000000, 0.0006090100000000, 0.0012265200000000 ] - [ -0.0004148100000000, 0.0009832700000000, -0.0006118300000000 ] - [ 0.0032219600000000, 0.0204702200000000, -0.0153537900000000 ] - [ 0.0040163100000000, 0.0016786900000000, 0.0001898700000000 ] - [ -0.0008907300000000, -0.0004099600000000, -0.0003003200000000 ] - [ 0.0007035900000000, -0.0074300900000000, -0.0094786100000000 ] - [ 0.0009355900000000, 0.0008792600000000, 0.0003915200000000 ] - [ -0.0068816400000000, -0.0156048800000000, 0.0039698300000000 ] - [ -0.0043928300000000, -0.0031174100000000, -0.0043893800000000 ] - [ 0.0007810600000000, -0.0003389300000000, -0.0002376700000000 ] - [ 0.0003274300000000, -0.0001728200000000, -0.0004217500000000 ] - [ 0.0059236100000000, 0.0007743500000000, 0.0004683500000000 ] - [ 0.0037085300000000, -0.0027512900000000, 0.0092887800000000 ] - [ -0.0001779400000000, -0.0002002200000000, -0.0000528500000000 ] - [ 0.0005441700000000, 0.0000736800000000, -0.0000117500000000 ] - [ 0.0028685200000000, -0.0027679600000000, 0.0012770300000000 ] - [ 0.0066219500000000, 0.0016687900000000, 0.0026705100000000 ] - [ -0.0018646700000000, -0.0000289500000000, -0.0011694400000000 ] - [ 0.0510708700000000, 0.0364816100000000, -0.0015884000000000 ] - [ 0.0003479800000000, -0.0000476300000000, -0.0001952200000000 ] - [ -0.0012546300000000, 0.0005338400000000, 0.0005434600000000 ] - [ 0.0000864500000000, -0.0002432400000000, -0.0000876100000000 ] - [ 0.0010306800000000, 0.0011182200000000, 0.0010309900000000 ] - [ -0.0000972700000000, 0.0002427700000000, 0.0001092600000000 ] - [ -0.0006167100000000, -0.0003801400000000, -0.0000812300000000 ] - [ 0.0002632400000000, -0.0000829600000000, 0.0005422500000000 ] - [ -0.0003296600000000, -0.0009066600000000, 0.0007121800000000 ] - [ 0.0001067600000000, -0.0000203000000000, 0.0020700300000000 ] - [ 0.0006456700000000, 0.0001088500000000, 0.0004936300000000 ] - [ -0.0066934300000000, -0.0031220000000000, 0.0039851000000000 ] - [ -0.0006115200000000, 0.0030031900000000, -0.0016165900000000 ] - [ 0.0002339500000000, -0.0036947600000000, -0.0000168700000000 ] - [ 0.0007271300000000, -0.0005982000000000, 0.0008594800000000 ] - [ -0.0002908800000000, 0.0002468000000000, -0.0002431100000000 ] - [ -0.0000967300000000, 0.0001710900000000, -0.0005607000000000 ] - [ 0.0005528100000000, 0.0003641800000000, -0.0003216000000000 ] - [ 0.0024633400000000, 0.0029150400000000, 0.0006547800000000 ] - [ 0.0000190000000000, 0.0002726000000000, 0.0001899300000000 ] - [ 0.0009034900000000, -0.0002230000000000, -0.0017441900000000 ] - [ -0.0001326400000000, 0.0003733700000000, -0.0001504200000000 ] - [ 0.0000423700000000, -0.0002450800000000, -0.0001403000000000 ] - [ -0.0036770200000000, -0.0003647200000000, -0.0016445100000000 ] - [ 0.0004875200000000, 0.0002823000000000, -0.0001549700000000 ] - [ 0.0003677000000000, -0.0000709400000000, -0.0003457100000000 ] - [ 0.0001084600000000, 0.0002941800000000, -0.0000585300000000 ] - [ -0.0000613500000000, -0.0003277900000000, -0.0000922200000000 ] - [ -0.0026767100000000, 0.0033174500000000, 0.0024455300000000 ] - [ -0.0009741000000000, -0.0000802300000000, 0.0002859900000000 ] - [ 0.0000282000000000, -0.0002718700000000, -0.0004317600000000 ] - [ 0.0004814000000000, 0.0017674700000000, 0.0020110400000000 ] - [ 0.0000093300000000, -0.0002296600000000, 0.0001491200000000 ] - [ -0.0042517600000000, -0.0013561700000000, 0.0024573700000000 ] - [ 0.0005922600000000, -0.0007181000000000, -0.0025700000000000 ] - [ -0.0042197800000000, 0.0000484900000000, -0.0009133700000000 ] - [ -0.0005457000000000, -0.0000123400000000, 0.0001905000000000 ] - [ -0.0015281300000000, 0.0005570900000000, 0.0004355700000000 ] - [ 0.0015608900000000, -0.0051499100000000, 0.0000371300000000 ] - [ 0.0051980800000000, 0.0014153800000000, 0.0005788200000000 ] - [ 0.0008889800000000, 0.0004189100000000, 0.0004246800000000 ] - [ -0.0003552200000000, 0.0003001300000000, 0.0000359300000000 ] - [ 0.0032126800000000, -0.0027606200000000, 0.0032969500000000 ] - [ 0.0002412000000000, 0.0000228900000000, 0.0001032200000000 ] - [ -0.0015885400000000, -0.0002344900000000, -0.0000588700000000 ] - [ 0.0001810300000000, 0.0002303300000000, 0.0005031400000000 ] - [ -0.0015214200000000, -0.0011124600000000, -0.0005709000000000 ] - [ -0.0003413000000000, 0.0025807700000000, 0.0027064800000000 ] - [ 0.0001648700000000, -0.0009128900000000, -0.0005162800000000 ] - [ 0.0004209500000000, -0.0003351500000000, 0.0002200300000000 ] - [ -0.0003452000000000, 0.0001593600000000, -0.0007633900000000 ] - [ -0.0004280300000000, 0.0000844800000000, 0.0001220600000000 ] - [ -0.0000813300000000, 0.0002617800000000, 0.0001289300000000 ] - [ -0.0009644400000000, -0.0005336800000000, -0.0003010700000000 ] - [ -0.0014535300000000, -0.0002220700000000, 0.0006858400000000 ] - [ -0.0022074500000000, 0.0002756000000000, -0.0000326700000000 ] - [ -0.0000052000000000, 0.0015590900000000, -0.0026488300000000 ] - [ 0.0003182400000000, -0.0002042900000000, 0.0006715900000000 ] - [ 0.0000143800000000, -0.0005208400000000, 0.0003220400000000 ] - [ -0.0001785500000000, -0.0006352600000000, -0.0005994700000000 ] - [ -0.0026146900000000, 0.0009316700000000, -0.0017667000000000 ] - [ 0.0135501800000000, 0.0000985900000000, 0.0080833400000000 ] - [ -0.0028778800000000, 0.0014145000000000, -0.0015751000000000 ] - [ -0.0005758400000000, 0.0000468100000000, 0.0003508500000000 ] - [ 0.0278823900000000, -0.0020158400000000, -0.0089873000000000 ] - [ 0.0043145700000000, 0.0003347400000000, -0.0009851400000000 ] - [ -0.0017233500000000, -0.0011230600000000, -0.0018260600000000 ]- atom: 10 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ 0.0000322100000000, -0.0001852500000000, -0.0000609100000000 ] - [ 0.0022155300000000, 0.0001455900000000, 0.0010299400000000 ] - [ 0.0001629800000000, -0.0004273600000000, -0.0002550400000000 ] - [ -0.0003344700000000, -0.0003929600000000, -0.0003327900000000 ] - [ -0.0003734400000000, 0.0004379900000000, 0.0005570100000000 ] - [ -0.0035205900000000, -0.0007807600000000, 0.0011190500000000 ] - [ -0.0009159000000000, -0.0006748400000000, 0.0004925300000000 ] - [ 0.0018400100000000, -0.0011108300000000, 0.0004770100000000 ] - [ 0.0020983100000000, -0.0041741100000000, -0.0040940300000000 ] - [ 0.1161138100000000, 0.0367502800000000, -0.0026442200000000 ] - [ 0.0000944800000000, 0.0001206700000000, 0.0003034300000000 ] - [ -0.0004976200000000, 0.0000509600000000, -0.0006992600000000 ] - [ -0.0129733700000000, 0.0060379100000000, -0.0014558900000000 ] - [ -0.0002882900000000, -0.0008999900000000, -0.0000334200000000 ] - [ 0.0001613800000000, -0.0003911000000000, -0.0003413000000000 ] - [ -0.0000254100000000, -0.0004272900000000, -0.0010125700000000 ] - [ -0.0007080600000000, 0.0001396300000000, 0.0005001400000000 ] - [ -0.0004608300000000, 0.0010777000000000, -0.0002305900000000 ] - [ -0.0025307100000000, 0.0001280500000000, -0.0009359000000000 ] - [ 0.0008537100000000, 0.0003544500000000, 0.0007885400000000 ] - [ -0.0000393700000000, -0.0005737300000000, -0.0005252400000000 ] - [ 0.0001262400000000, -0.0007157900000000, 0.0000003700000000 ] - [ -0.0000237300000000, -0.0004180600000000, -0.0002620600000000 ] - [ -0.0001625000000000, 0.0001021800000000, -0.0001267000000000 ] - [ 0.0013704300000000, -0.0000909400000000, 0.0008651700000000 ] - [ 0.0020555600000000, -0.0074260500000000, -0.0086272600000000 ] - [ -0.0007729100000000, 0.0004130100000000, 0.0006514100000000 ] - [ -0.0007374700000000, -0.0003999600000000, -0.0006986200000000 ] - [ 0.0073893800000000, 0.0019619400000000, 0.0004659200000000 ] - [ -0.0143879100000000, 0.0003103500000000, 0.0018096100000000 ] - [ -0.0038450900000000, 0.0014766900000000, -0.0012586100000000 ] - [ -0.0005316200000000, -0.0047991000000000, 0.0061931400000000 ] - [ 0.0006637100000000, -0.0003413000000000, 0.0000490300000000 ] - [ -0.0010293900000000, 0.0002224500000000, 0.0002939400000000 ] - [ 0.0002592400000000, 0.0002833900000000, 0.0002520700000000 ] - [ -0.0043012100000000, -0.0009149700000000, -0.0002208500000000 ] - [ -0.0012321000000000, 0.0008780500000000, -0.0010221000000000 ] - [ -0.0013441900000000, -0.0198780800000000, 0.0156037400000000 ] - [ -0.0048354800000000, -0.0008894300000000, -0.0008514700000000 ] - [ 0.0000664200000000, -0.0003964700000000, -0.0003412400000000 ] - [ 0.0008347400000000, 0.0055348400000000, 0.0110555900000000 ] - [ 0.0007132400000000, 0.0009819800000000, 0.0012451400000000 ] - [ 0.0052383000000000, 0.0137055800000000, -0.0056084900000000 ] - [ 0.0024875000000000, 0.0024767600000000, 0.0042536100000000 ] - [ 0.0011526400000000, -0.0003093100000000, 0.0003955800000000 ] - [ -0.0001401300000000, -0.0001408800000000, -0.0005757600000000 ] - [ -0.0050963900000000, 0.0000324000000000, 0.0001604800000000 ] - [ -0.0035628600000000, 0.0030398100000000, -0.0102894500000000 ] - [ -0.0003596500000000, -0.0002757000000000, 0.0000590200000000 ] - [ 0.0006564800000000, -0.0001755300000000, -0.0005774300000000 ] - [ -0.0022540700000000, 0.0029573500000000, -0.0002094900000000 ] - [ -0.0064002700000000, -0.0021258100000000, -0.0026025800000000 ] - [ 0.0011449700000000, -0.0001407600000000, 0.0000679900000000 ] - [ -0.0488622000000000, -0.0337324000000000, 0.0011791900000000 ] - [ 0.0001299400000000, -0.0001077100000000, 0.0000051200000000 ] - [ 0.0016292600000000, 0.0007766300000000, 0.0003883300000000 ] - [ -0.0001420200000000, -0.0003341000000000, -0.0001377000000000 ] - [ 0.0001663400000000, -0.0010185600000000, -0.0016254700000000 ] - [ 0.0002975800000000, 0.0002635500000000, -0.0000952400000000 ] - [ -0.0003869300000000, -0.0002527500000000, 0.0000581000000000 ] - [ 0.0004605500000000, -0.0000857600000000, 0.0005536600000000 ] - [ -0.0001788400000000, -0.0008338200000000, 0.0002043900000000 ] - [ -0.0007821400000000, 0.0000761300000000, -0.0024220500000000 ] - [ -0.0004544400000000, 0.0004194600000000, -0.0006287600000000 ] - [ 0.0061655800000000, 0.0036692700000000, -0.0041293600000000 ] - [ 0.0014156700000000, -0.0033501800000000, 0.0033454300000000 ] - [ -0.0000943700000000, 0.0041942800000000, 0.0002937700000000 ] - [ -0.0003535500000000, -0.0007099400000000, 0.0000602400000000 ] - [ -0.0001520600000000, 0.0001374800000000, -0.0008268800000000 ] - [ -0.0006245700000000, -0.0000030400000000, -0.0005398100000000 ] - [ 0.0004534100000000, 0.0002677300000000, 0.0003427300000000 ] - [ -0.0017725800000000, -0.0028607300000000, -0.0002968000000000 ] - [ 0.0004903300000000, 0.0002851800000000, -0.0000366100000000 ] - [ -0.0010333600000000, 0.0007185300000000, 0.0014649700000000 ] - [ -0.0003220800000000, 0.0002229100000000, 0.0002723900000000 ] - [ 0.0001200400000000, -0.0002174900000000, -0.0001204300000000 ] - [ 0.0035267900000000, 0.0007794800000000, 0.0007440700000000 ] - [ -0.0000300100000000, 0.0003139300000000, 0.0000331700000000 ] - [ -0.0003088700000000, -0.0005072000000000, 0.0005704600000000 ] - [ 0.0004304500000000, 0.0001817300000000, 0.0000527400000000 ] - [ -0.0004417600000000, -0.0002305000000000, -0.0000611000000000 ] - [ 0.0018811000000000, -0.0036580700000000, -0.0041548700000000 ] - [ 0.0008172600000000, -0.0003819900000000, -0.0000265900000000 ] - [ -0.0001835000000000, -0.0001385000000000, -0.0004779700000000 ] - [ -0.0009699600000000, -0.0000258000000000, -0.0010893300000000 ] - [ 0.0001229900000000, -0.0002670100000000, 0.0001237300000000 ] - [ 0.0047134400000000, 0.0007517300000000, -0.0025802000000000 ] - [ -0.0000461500000000, 0.0002510400000000, 0.0025728500000000 ] - [ 0.0036857600000000, 0.0004149800000000, 0.0009157900000000 ] - [ -0.0001477700000000, -0.0000408400000000, -0.0005447600000000 ] - [ 0.0015874900000000, 0.0000168700000000, -0.0002105700000000 ] - [ -0.0017629400000000, 0.0046379400000000, 0.0000910300000000 ] - [ -0.0053889800000000, -0.0019220000000000, -0.0005924700000000 ] - [ -0.0010502300000000, 0.0000430500000000, -0.0001685400000000 ] - [ 0.0001587500000000, 0.0002061400000000, -0.0000524500000000 ] - [ -0.0036624900000000, 0.0023827900000000, -0.0043742700000000 ] - [ 0.0004563200000000, -0.0000745000000000, 0.0002483000000000 ] - [ 0.0020698400000000, 0.0003880200000000, -0.0001318000000000 ] - [ 0.0006361000000000, 0.0001372400000000, 0.0012418800000000 ] - [ 0.0010613100000000, 0.0005210600000000, 0.0007031700000000 ] - [ 0.0007888700000000, -0.0022093900000000, -0.0016493600000000 ] - [ 0.0003470600000000, -0.0008285500000000, -0.0004036000000000 ] - [ -0.0002645400000000, -0.0000752300000000, 0.0006882100000000 ] - [ -0.0004686900000000, 0.0002071000000000, -0.0009846300000000 ] - [ -0.0000474600000000, 0.0000714500000000, 0.0000685400000000 ] - [ -0.0001108300000000, 0.0002687600000000, 0.0000020300000000 ] - [ 0.0008352300000000, 0.0000344900000000, 0.0000271500000000 ] - [ 0.0016117200000000, 0.0006348200000000, 0.0002256500000000 ] - [ 0.0021471700000000, 0.0003070500000000, -0.0001907100000000 ] - [ -0.0004643600000000, -0.0017284300000000, 0.0028559200000000 ] - [ 0.0001310400000000, -0.0001799600000000, 0.0004019600000000 ] - [ 0.0001829600000000, -0.0000095200000000, -0.0004539500000000 ] - [ -0.0001923600000000, -0.0006739000000000, -0.0003211400000000 ] - [ 0.0016309400000000, -0.0002925600000000, 0.0017356100000000 ] - [ -0.0133414700000000, 0.0019655700000000, -0.0096034000000000 ] - [ 0.0025080700000000, -0.0001082200000000, 0.0006669800000000 ] - [ -0.0006199300000000, 0.0000539600000000, 0.0002379900000000 ] - [ -0.0309622700000000, 0.0015163300000000, 0.0107692600000000 ] - [ -0.0038127700000000, -0.0008869800000000, 0.0011417400000000 ] - [ 0.0027308500000000, 0.0004852900000000, 0.0018480500000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000690800000000, -0.0002965300000000, -0.0003385400000000 ] - [ 0.0010702300000000, -0.0018256800000000, -0.0004193700000000 ] - [ 0.0002133100000000, -0.0004793400000000, -0.0004805000000000 ] - [ -0.0003179700000000, -0.0005011700000000, -0.0005993800000000 ] - [ -0.0005255200000000, 0.0009151000000000, 0.0002406500000000 ] - [ -0.0011948900000000, -0.0004631400000000, -0.0003674800000000 ] - [ -0.0005593200000000, 0.0000636100000000, 0.0007146500000000 ] - [ 0.0012019800000000, 0.0009883800000000, -0.0008743400000000 ] - [ 0.0053921600000000, -0.0044076700000000, 0.0048181700000000 ] - [ -0.0392964800000000, -0.0975787300000000, 0.0215465500000000 ] - [ -0.0000093100000000, -0.0000515600000000, 0.0006194900000000 ] - [ 0.0001939200000000, -0.0001583900000000, -0.0010391900000000 ] - [ -0.0014160200000000, -0.0022054100000000, 0.0013535500000000 ] - [ -0.0002896200000000, -0.0007178600000000, -0.0001748600000000 ] - [ 0.0001718500000000, -0.0002567700000000, -0.0005981400000000 ] - [ -0.0005666500000000, 0.0014039500000000, 0.0004631200000000 ] - [ -0.0008310800000000, -0.0005037000000000, 0.0000232900000000 ] - [ 0.0002376200000000, 0.0019690400000000, -0.0000389800000000 ] - [ 0.0001353900000000, 0.0027349900000000, 0.0009317700000000 ] - [ 0.0005762500000000, 0.0019940500000000, -0.0000149200000000 ] - [ 0.0000581000000000, -0.0005888000000000, -0.0007964400000000 ] - [ 0.0002258000000000, -0.0008268600000000, -0.0001949900000000 ] - [ -0.0001107100000000, -0.0002978100000000, -0.0005483600000000 ] - [ -0.0001186300000000, 0.0001460700000000, -0.0003443800000000 ] - [ 0.0007482100000000, -0.0013342800000000, -0.0008436500000000 ] - [ 0.0036042300000000, 0.0119851200000000, 0.0074842000000000 ] - [ -0.0001919400000000, -0.0004457200000000, 0.0005632500000000 ] - [ -0.0008503700000000, -0.0010177300000000, -0.0006515600000000 ] - [ 0.0021053800000000, 0.0185688300000000, 0.0002738000000000 ] - [ 0.0067135400000000, -0.0062875600000000, -0.0019459900000000 ] - [ -0.0014375000000000, 0.0031182600000000, 0.0004489200000000 ] - [ 0.0023894800000000, 0.0090234700000000, -0.0036379400000000 ] - [ 0.0004653200000000, -0.0004454400000000, 0.0000428200000000 ] - [ -0.0009873100000000, 0.0004098500000000, -0.0005024300000000 ] - [ -0.0000266500000000, 0.0002268900000000, -0.0002373300000000 ] - [ 0.0009443400000000, 0.0017489800000000, 0.0021240900000000 ] - [ -0.0010532800000000, 0.0010241900000000, -0.0009264900000000 ] - [ 0.0106417400000000, 0.0007127400000000, -0.0037764300000000 ] - [ -0.0008559300000000, -0.0004754200000000, -0.0003447200000000 ] - [ -0.0003862600000000, -0.0003840000000000, -0.0011346400000000 ] - [ -0.0175114300000000, 0.0005413100000000, 0.0108324000000000 ] - [ 0.0009580100000000, 0.0008252400000000, 0.0004638600000000 ] - [ -0.0053144300000000, 0.0133126600000000, -0.0107524600000000 ] - [ -0.0054051500000000, 0.0002124600000000, 0.0033118900000000 ] - [ 0.0010076200000000, -0.0003108700000000, 0.0000074400000000 ] - [ 0.0000762000000000, -0.0003313600000000, -0.0008504000000000 ] - [ 0.0015722700000000, 0.0009096300000000, -0.0010837500000000 ] - [ -0.0108878200000000, 0.0007538800000000, -0.0151357100000000 ] - [ -0.0002990400000000, -0.0004554600000000, 0.0003747300000000 ] - [ 0.0006226600000000, -0.0003129500000000, -0.0002874700000000 ] - [ -0.0034677400000000, 0.0208882000000000, -0.0101213600000000 ] - [ 0.0051411400000000, 0.0069961100000000, -0.0011052400000000 ] - [ -0.0008038700000000, -0.0002744200000000, -0.0016010600000000 ] - [ 0.0341372600000000, 0.0336292000000000, -0.0007635100000000 ] - [ 0.0001710500000000, 0.0000966600000000, 0.0002405900000000 ] - [ 0.0005952800000000, 0.0007437300000000, 0.0002074800000000 ] - [ -0.0000850100000000, -0.0001389400000000, 0.0001990800000000 ] - [ 0.0011246400000000, 0.0013170400000000, -0.0010644700000000 ] - [ 0.0001361300000000, 0.0002700200000000, 0.0001913400000000 ] - [ -0.0005675800000000, -0.0002350500000000, 0.0001625800000000 ] - [ 0.0004871600000000, -0.0000405900000000, 0.0007984800000000 ] - [ -0.0002860800000000, -0.0007412000000000, 0.0004989000000000 ] - [ 0.0018180100000000, 0.0029259000000000, -0.0027414200000000 ] - [ 0.0006998100000000, -0.0010677600000000, -0.0009989800000000 ] - [ -0.0002844100000000, 0.0007677500000000, -0.0005901700000000 ] - [ 0.0016846000000000, -0.0022446600000000, 0.0028927100000000 ] - [ 0.0009157300000000, -0.0065888300000000, -0.0004181600000000 ] - [ 0.0001659200000000, -0.0006438100000000, 0.0011508200000000 ] - [ -0.0001134100000000, 0.0001541000000000, -0.0006366500000000 ] - [ -0.0002332600000000, -0.0000362100000000, 0.0002363900000000 ] - [ 0.0004498500000000, 0.0002732600000000, 0.0004895200000000 ] - [ 0.0010463100000000, -0.0048479400000000, 0.0001801700000000 ] - [ 0.0003629000000000, 0.0002609900000000, 0.0002181500000000 ] - [ -0.0008915600000000, 0.0014106200000000, 0.0009528300000000 ] - [ -0.0002073900000000, 0.0002063100000000, 0.0004440400000000 ] - [ 0.0000614700000000, -0.0002668300000000, 0.0000347900000000 ] - [ 0.0002244000000000, 0.0013477300000000, -0.0004334400000000 ] - [ -0.0000612800000000, 0.0003367400000000, 0.0001734800000000 ] - [ -0.0002512800000000, -0.0008608600000000, 0.0005763500000000 ] - [ 0.0001968800000000, 0.0000466900000000, 0.0001673400000000 ] - [ -0.0003210600000000, -0.0002215100000000, -0.0000223700000000 ] - [ 0.0040433200000000, 0.0023653500000000, -0.0004292200000000 ] - [ 0.0004660000000000, 0.0000391900000000, 0.0004110600000000 ] - [ -0.0000994000000000, -0.0003784800000000, -0.0001751000000000 ] - [ 0.0023803200000000, -0.0028476100000000, -0.0012699600000000 ] - [ 0.0000720200000000, -0.0002183400000000, 0.0003175300000000 ] - [ -0.0025218500000000, -0.0014996100000000, 0.0023868900000000 ] - [ 0.0015847800000000, 0.0022088600000000, 0.0037455900000000 ] - [ -0.0025769700000000, -0.0002088500000000, -0.0018323000000000 ] - [ -0.0004153900000000, -0.0001589600000000, -0.0000551700000000 ] - [ -0.0000754200000000, 0.0009607800000000, 0.0009964300000000 ] - [ -0.0031887000000000, -0.0020765800000000, 0.0005176500000000 ] - [ -0.0007395900000000, -0.0026405400000000, 0.0033978900000000 ] - [ -0.0008673600000000, -0.0009855700000000, -0.0012372400000000 ] - [ 0.0000137800000000, 0.0002453700000000, -0.0001560700000000 ] - [ -0.0020085600000000, -0.0000594700000000, 0.0009681000000000 ] - [ 0.0004069600000000, -0.0000202100000000, 0.0002376000000000 ] - [ 0.0001974300000000, -0.0011901600000000, -0.0000961800000000 ] - [ 0.0005355500000000, 0.0003007200000000, 0.0007952100000000 ] - [ -0.0011593800000000, -0.0002050500000000, -0.0002195600000000 ] - [ 0.0013744700000000, -0.0000606400000000, -0.0003343300000000 ] - [ 0.0003235800000000, -0.0009369500000000, -0.0003351500000000 ] - [ -0.0002087200000000, 0.0002274100000000, 0.0007363300000000 ] - [ -0.0004521000000000, 0.0001925100000000, -0.0007128900000000 ] - [ -0.0001808500000000, 0.0003808800000000, 0.0004004200000000 ] - [ -0.0000832500000000, 0.0002689800000000, 0.0001561800000000 ] - [ 0.0004405200000000, -0.0007944000000000, 0.0000720300000000 ] - [ -0.0000343200000000, -0.0010664000000000, 0.0012332900000000 ] - [ 0.0001927000000000, -0.0001426100000000, -0.0002942600000000 ] - [ 0.0011460300000000, -0.0039367900000000, 0.0042418600000000 ] - [ 0.0002280400000000, -0.0001976100000000, 0.0007086000000000 ] - [ 0.0001337100000000, 0.0000530600000000, -0.0000219800000000 ] - [ -0.0000662100000000, -0.0006756800000000, -0.0001415200000000 ] - [ 0.0042625000000000, -0.0003537600000000, 0.0011586800000000 ] - [ -0.0027045500000000, 0.0045057400000000, -0.0014703900000000 ] - [ 0.0001807200000000, 0.0000923200000000, -0.0004937300000000 ] - [ -0.0005948100000000, 0.0000563200000000, 0.0003902500000000 ] - [ 0.0050966900000000, 0.0078859200000000, -0.0052177900000000 ] - [ 0.0027587300000000, -0.0016372400000000, -0.0033228300000000 ] - [ -0.0005182800000000, -0.0015827600000000, -0.0020719200000000 ]- atom: 10 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000779700000000, -0.0002028300000000, 0.0002711000000000 ] - [ -0.0008520100000000, 0.0011125300000000, 0.0009024800000000 ] - [ 0.0003175700000000, -0.0004781800000000, -0.0001060100000000 ] - [ -0.0004076700000000, -0.0003408200000000, 0.0000052800000000 ] - [ 0.0007528100000000, -0.0002030600000000, 0.0002612300000000 ] - [ 0.0009089700000000, -0.0007273800000000, 0.0013681200000000 ] - [ 0.0000219600000000, -0.0010192800000000, -0.0001339900000000 ] - [ -0.0010446900000000, -0.0014841100000000, 0.0009543300000000 ] - [ -0.0056255000000000, 0.0060706700000000, -0.0046660500000000 ] - [ 0.0367966800000000, 0.0978337900000000, -0.0221219200000000 ] - [ -0.0002812700000000, 0.0012434400000000, 0.0003807000000000 ] - [ 0.0005307600000000, 0.0010035700000000, 0.0016352800000000 ] - [ 0.0012200200000000, 0.0028891600000000, -0.0018357400000000 ] - [ 0.0000673900000000, -0.0009222600000000, 0.0003341900000000 ] - [ 0.0000666300000000, -0.0003740800000000, -0.0000351200000000 ] - [ 0.0012910400000000, -0.0022436700000000, 0.0001298600000000 ] - [ 0.0009802900000000, 0.0010055000000000, 0.0000418700000000 ] - [ -0.0004786400000000, -0.0013407700000000, 0.0006687800000000 ] - [ -0.0003034300000000, -0.0022380900000000, -0.0010129900000000 ] - [ -0.0004364400000000, -0.0022957700000000, 0.0003184600000000 ] - [ 0.0002332000000000, -0.0006018400000000, -0.0002053700000000 ] - [ -0.0000031800000000, -0.0008106200000000, 0.0000346100000000 ] - [ -0.0001147000000000, -0.0004134700000000, 0.0000450400000000 ] - [ -0.0000201500000000, 0.0001581000000000, 0.0000367100000000 ] - [ -0.0012803800000000, 0.0022928400000000, 0.0014288000000000 ] - [ -0.0032552600000000, -0.0107490800000000, -0.0084337100000000 ] - [ 0.0003346200000000, 0.0007472000000000, -0.0002512500000000 ] - [ 0.0006131900000000, 0.0003865600000000, 0.0012819000000000 ] - [ -0.0015813600000000, -0.0177979000000000, -0.0008392300000000 ] - [ -0.0064945300000000, 0.0069271100000000, 0.0013216700000000 ] - [ 0.0007205200000000, -0.0022736400000000, -0.0010357100000000 ] - [ -0.0021374800000000, -0.0073812900000000, 0.0034755200000000 ] - [ 0.0003596400000000, -0.0003582400000000, 0.0006001100000000 ] - [ -0.0009415400000000, 0.0002398700000000, 0.0003438900000000 ] - [ -0.0001605300000000, 0.0000877600000000, 0.0012350900000000 ] - [ -0.0011336800000000, -0.0020726000000000, -0.0011316400000000 ] - [ -0.0005931400000000, 0.0008388100000000, -0.0007105300000000 ] - [ -0.0087488300000000, 0.0000317600000000, 0.0039527200000000 ] - [ 0.0000304700000000, 0.0012930500000000, -0.0002933900000000 ] - [ -0.0004391700000000, -0.0004206400000000, 0.0004899900000000 ] - [ 0.0192139600000000, -0.0024069900000000, -0.0092581200000000 ] - [ 0.0006885900000000, 0.0010379400000000, 0.0011701300000000 ] - [ 0.0035968900000000, -0.0151971300000000, 0.0090048800000000 ] - [ 0.0034462200000000, -0.0008704500000000, -0.0034534600000000 ] - [ 0.0009258000000000, -0.0003358700000000, 0.0001473400000000 ] - [ 0.0001093300000000, 0.0000186000000000, -0.0001489300000000 ] - [ -0.0007492800000000, -0.0001056000000000, 0.0017268300000000 ] - [ 0.0110690600000000, -0.0004718900000000, 0.0141486500000000 ] - [ -0.0002383400000000, -0.0000187600000000, -0.0003714500000000 ] - [ 0.0005749300000000, 0.0002143200000000, -0.0002962000000000 ] - [ 0.0046839000000000, -0.0217313100000000, 0.0122745700000000 ] - [ -0.0048926200000000, -0.0080745100000000, 0.0005724300000000 ] - [ 0.0000841800000000, 0.0001096900000000, 0.0005096600000000 ] - [ -0.0322255900000000, -0.0322304300000000, 0.0004405000000000 ] - [ 0.0003044100000000, -0.0002531200000000, -0.0004324000000000 ] - [ -0.0002220800000000, 0.0005634300000000, 0.0007092800000000 ] - [ 0.0000257300000000, -0.0004359900000000, -0.0004170200000000 ] - [ 0.0000781600000000, -0.0012086000000000, 0.0004783500000000 ] - [ 0.0000590000000000, 0.0002378700000000, -0.0001725000000000 ] - [ -0.0004285600000000, -0.0003936500000000, -0.0001860000000000 ] - [ 0.0002328900000000, -0.0001264900000000, 0.0002923200000000 ] - [ -0.0002246900000000, -0.0009957300000000, 0.0004182400000000 ] - [ -0.0025217500000000, -0.0028751400000000, 0.0023926300000000 ] - [ -0.0005033000000000, 0.0016001900000000, 0.0008696200000000 ] - [ -0.0002430800000000, -0.0002286500000000, 0.0004489200000000 ] - [ -0.0008740700000000, 0.0019007600000000, -0.0011610500000000 ] - [ -0.0008048200000000, 0.0071070400000000, 0.0006946700000000 ] - [ 0.0002075500000000, -0.0006628400000000, -0.0002323900000000 ] - [ -0.0003301400000000, 0.0002305100000000, -0.0004296400000000 ] - [ -0.0004870600000000, 0.0002058300000000, -0.0013263000000000 ] - [ 0.0005475500000000, 0.0003573300000000, -0.0004649800000000 ] - [ -0.0003354800000000, 0.0049106300000000, 0.0002020900000000 ] - [ 0.0001493900000000, 0.0002967900000000, -0.0000653000000000 ] - [ 0.0007630900000000, -0.0009142700000000, -0.0012280800000000 ] - [ -0.0002450200000000, 0.0003937900000000, -0.0003247300000000 ] - [ 0.0001011100000000, -0.0001936100000000, -0.0002919900000000 ] - [ -0.0003880500000000, -0.0009407900000000, -0.0004779100000000 ] - [ 0.0005139000000000, 0.0002633300000000, -0.0002909400000000 ] - [ 0.0003074700000000, 0.0002835800000000, -0.0003551300000000 ] - [ 0.0003400400000000, 0.0004272400000000, -0.0001677200000000 ] - [ -0.0001912900000000, -0.0003345200000000, -0.0001279800000000 ] - [ -0.0048734500000000, -0.0027412400000000, -0.0013087700000000 ] - [ -0.0006277900000000, -0.0004994300000000, -0.0001518100000000 ] - [ -0.0000577800000000, -0.0000357900000000, -0.0007266300000000 ] - [ -0.0028890200000000, 0.0045822200000000, 0.0021882900000000 ] - [ 0.0000594100000000, -0.0002776100000000, -0.0000418400000000 ] - [ 0.0029789900000000, 0.0009010900000000, -0.0025110800000000 ] - [ -0.0010506900000000, -0.0026809500000000, -0.0037503800000000 ] - [ 0.0020436500000000, 0.0006867600000000, 0.0018397400000000 ] - [ -0.0002811000000000, 0.0001023600000000, -0.0002994600000000 ] - [ 0.0001362400000000, -0.0003859500000000, -0.0007809400000000 ] - [ 0.0030201300000000, 0.0015322500000000, -0.0004091500000000 ] - [ 0.0005497400000000, 0.0021397300000000, -0.0034081500000000 ] - [ 0.0007084100000000, 0.0014496400000000, 0.0014991300000000 ] - [ -0.0002084000000000, 0.0002627500000000, 0.0001386600000000 ] - [ 0.0015705600000000, -0.0003361300000000, -0.0020337900000000 ] - [ 0.0002906100000000, -0.0000360200000000, 0.0001185300000000 ] - [ 0.0002795300000000, 0.0013525500000000, -0.0000986100000000 ] - [ 0.0002773900000000, 0.0000669800000000, 0.0009463400000000 ] - [ 0.0007132900000000, -0.0003958200000000, 0.0003394900000000 ] - [ -0.0009199900000000, 0.0004573200000000, 0.0013959500000000 ] - [ 0.0001875300000000, -0.0008012800000000, -0.0005807300000000 ] - [ 0.0003652700000000, -0.0006391200000000, 0.0001670700000000 ] - [ -0.0003606000000000, 0.0001746000000000, -0.0010281800000000 ] - [ -0.0002954100000000, -0.0002203000000000, -0.0002059800000000 ] - [ -0.0001095200000000, 0.0002623500000000, -0.0000275900000000 ] - [ -0.0005698500000000, 0.0002973600000000, -0.0003454600000000 ] - [ 0.0001919600000000, 0.0014866700000000, -0.0003321300000000 ] - [ -0.0002500500000000, 0.0007188500000000, 0.0000743400000000 ] - [ -0.0016162100000000, 0.0037589600000000, -0.0040256100000000 ] - [ 0.0002157000000000, -0.0001842700000000, 0.0003604900000000 ] - [ 0.0000587300000000, -0.0005843800000000, -0.0001036800000000 ] - [ -0.0003069900000000, -0.0006300800000000, -0.0007725600000000 ] - [ -0.0052583000000000, 0.0009865500000000, -0.0011882200000000 ] - [ 0.0031216200000000, -0.0027665200000000, 0.0004862000000000 ] - [ -0.0005513900000000, 0.0012222300000000, -0.0004188900000000 ] - [ -0.0006044800000000, 0.0000447400000000, 0.0001957800000000 ] - [ -0.0061683500000000, -0.0078785700000000, 0.0057100000000000 ] - [ -0.0022326300000000, 0.0010866500000000, 0.0034667000000000 ] - [ 0.0015111300000000, 0.0009562400000000, 0.0020969900000000 ]- atom: 10 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ 0.0000573200000000, -0.0001949500000000, 0.0016761600000000 ] - [ 0.0006200600000000, 0.0003072700000000, 0.0035373000000000 ] - [ 0.0001848500000000, -0.0006775600000000, 0.0011269500000000 ] - [ -0.0003325900000000, -0.0002457300000000, 0.0013826900000000 ] - [ -0.0004927600000000, 0.0002920700000000, 0.0010524800000000 ] - [ -0.0018497000000000, -0.0008852900000000, 0.0020530600000000 ] - [ -0.0009162800000000, -0.0008171400000000, 0.0012670800000000 ] - [ 0.0005525400000000, -0.0012314100000000, 0.0023644400000000 ] - [ 0.0062463900000000, 0.0034597400000000, 0.0070784900000000 ] - [ 0.0556284100000000, 0.0370112000000000, -0.0580724900000000 ] - [ -0.0001493500000000, 0.0007771300000000, 0.0025902600000000 ] - [ 0.0015528500000000, 0.0002831300000000, 0.0017458100000000 ] - [ -0.0079285700000000, 0.0060680100000000, -0.0078862900000000 ] - [ -0.0000511700000000, -0.0010255100000000, 0.0012396400000000 ] - [ 0.0001294500000000, -0.0005429400000000, 0.0011049200000000 ] - [ 0.0010840300000000, -0.0015172800000000, 0.0005984100000000 ] - [ -0.0011256000000000, 0.0002532300000000, 0.0010516600000000 ] - [ 0.0011639000000000, -0.0001568700000000, 0.0006349800000000 ] - [ -0.0016442900000000, -0.0006032900000000, -0.0045297500000000 ] - [ -0.0001376800000000, 0.0002273100000000, 0.0023022000000000 ] - [ 0.0001006400000000, -0.0005527200000000, 0.0009450400000000 ] - [ -0.0000203900000000, -0.0006944700000000, 0.0012848400000000 ] - [ 0.0000887600000000, -0.0004312300000000, 0.0014590500000000 ] - [ -0.0001364600000000, 0.0002992500000000, 0.0012995000000000 ] - [ -0.0004261400000000, -0.0007558500000000, 0.0032743000000000 ] - [ 0.0043985600000000, 0.0005957000000000, -0.0065818000000000 ] - [ -0.0007558700000000, 0.0006335800000000, 0.0014308400000000 ] - [ 0.0003840300000000, 0.0003128800000000, 0.0017189900000000 ] - [ 0.0027139400000000, -0.0005007900000000, -0.0118096700000000 ] - [ -0.0069618800000000, -0.0010600000000000, -0.0024403700000000 ] - [ -0.0015263400000000, 0.0008454700000000, -0.0047061000000000 ] - [ -0.0019677000000000, -0.0012948500000000, -0.0011212900000000 ] - [ 0.0005113400000000, -0.0001458700000000, 0.0028420900000000 ] - [ -0.0014177500000000, 0.0000887500000000, 0.0023045800000000 ] - [ 0.0001790900000000, 0.0000269600000000, 0.0032839000000000 ] - [ -0.0019461100000000, -0.0004481300000000, -0.0013576600000000 ] - [ -0.0009761100000000, 0.0009097600000000, 0.0010294000000000 ] - [ -0.0078399600000000, -0.0203080900000000, 0.0133088900000000 ] - [ -0.0008601400000000, -0.0006656100000000, -0.0043043500000000 ] - [ -0.0001827300000000, -0.0004834300000000, 0.0024668300000000 ] - [ -0.0155986200000000, 0.0067929200000000, 0.0096029500000000 ] - [ 0.0004753100000000, 0.0009186100000000, 0.0032765500000000 ] - [ 0.0022205900000000, -0.0131725200000000, 0.0025284900000000 ] - [ -0.0037901600000000, 0.0032313100000000, 0.0032215300000000 ] - [ 0.0005176200000000, -0.0003843500000000, 0.0024883100000000 ] - [ 0.0003932100000000, -0.0001405800000000, 0.0015334800000000 ] - [ -0.0004579300000000, 0.0003720200000000, -0.0010994900000000 ] - [ 0.0083661100000000, -0.0026431200000000, 0.0071780400000000 ] - [ -0.0003169800000000, 0.0003268700000000, -0.0014355300000000 ] - [ 0.0010860400000000, -0.0004355600000000, -0.0014286100000000 ] - [ 0.0023371900000000, -0.0083586000000000, 0.0108209800000000 ] - [ 0.0017950400000000, -0.0018326700000000, 0.0033614600000000 ] - [ 0.0008414900000000, -0.0001977300000000, 0.0002105100000000 ] - [ -0.0277621000000000, -0.0188591500000000, 0.0075298800000000 ] - [ 0.0002980500000000, -0.0005085400000000, -0.0013624700000000 ] - [ 0.0012918700000000, 0.0007704400000000, 0.0012116500000000 ] - [ 0.0000476700000000, -0.0008027600000000, -0.0014647800000000 ] - [ 0.0013646500000000, -0.0008399700000000, -0.0018695500000000 ] - [ 0.0004224100000000, 0.0002184300000000, -0.0013280000000000 ] - [ -0.0007478200000000, -0.0001898600000000, -0.0013073200000000 ] - [ -0.0000081800000000, -0.0001401100000000, -0.0007915000000000 ] - [ -0.0001853800000000, -0.0007315900000000, -0.0007679200000000 ] - [ 0.0021338600000000, 0.0000569100000000, -0.0029472500000000 ] - [ 0.0009405600000000, 0.0000724700000000, -0.0010173700000000 ] - [ 0.0055479300000000, 0.0034976500000000, -0.0034281200000000 ] - [ -0.0008943100000000, 0.0016898700000000, -0.0005817600000000 ] - [ -0.0002006400000000, 0.0028200100000000, 0.0035754200000000 ] - [ -0.0003983000000000, -0.0006506400000000, -0.0015921300000000 ] - [ -0.0003024900000000, 0.0000853800000000, -0.0018257100000000 ] - [ -0.0008507100000000, 0.0000373700000000, -0.0023228200000000 ] - [ 0.0003956400000000, 0.0005070300000000, -0.0012503900000000 ] - [ -0.0008733400000000, 0.0025659400000000, 0.0029836800000000 ] - [ 0.0008896400000000, 0.0002919400000000, -0.0008159500000000 ] - [ -0.0007332900000000, 0.0004319100000000, -0.0021607500000000 ] - [ -0.0000129400000000, 0.0005089700000000, -0.0009806500000000 ] - [ 0.0001968000000000, -0.0001577800000000, -0.0011511800000000 ] - [ 0.0021356400000000, 0.0013953500000000, 0.0024765600000000 ] - [ 0.0006526700000000, 0.0001019500000000, -0.0011014300000000 ] - [ -0.0000100000000000, 0.0002083600000000, -0.0011000400000000 ] - [ 0.0000174500000000, 0.0006132400000000, -0.0008704200000000 ] - [ 0.0004009700000000, -0.0003305300000000, -0.0011889800000000 ] - [ 0.0042219000000000, -0.0016892900000000, 0.0013046000000000 ] - [ 0.0001013100000000, -0.0004718300000000, -0.0008517100000000 ] - [ -0.0001540300000000, 0.0003380100000000, -0.0016275300000000 ] - [ 0.0021088000000000, -0.0016976300000000, -0.0008068800000000 ] - [ 0.0000164600000000, -0.0002623100000000, -0.0009951700000000 ] - [ 0.0011732000000000, -0.0003445700000000, 0.0003847100000000 ] - [ -0.0012930800000000, -0.0005649300000000, -0.0021370400000000 ] - [ 0.0019957500000000, 0.0005531700000000, 0.0019837600000000 ] - [ -0.0001096900000000, -0.0004527800000000, -0.0015516500000000 ] - [ -0.0001620500000000, 0.0003328000000000, 0.0003673800000000 ] - [ -0.0001547000000000, 0.0060964600000000, 0.0030282400000000 ] - [ -0.0000302300000000, 0.0017899500000000, -0.0013126700000000 ] - [ -0.0007949300000000, -0.0002841600000000, -0.0016826000000000 ] - [ 0.0002125700000000, 0.0002562100000000, -0.0009968300000000 ] - [ -0.0008581400000000, 0.0022995000000000, -0.0042684400000000 ] - [ 0.0003773500000000, 0.0003854500000000, -0.0008370100000000 ] - [ 0.0011081500000000, 0.0000608500000000, 0.0011243900000000 ] - [ 0.0001104200000000, -0.0000161300000000, 0.0001217400000000 ] - [ -0.0022214600000000, -0.0005162800000000, 0.0013347000000000 ] - [ 0.0019771200000000, -0.0022423100000000, 0.0010533500000000 ] - [ 0.0002112500000000, -0.0009757100000000, -0.0014314800000000 ] - [ -0.0000516600000000, -0.0008474600000000, -0.0007561700000000 ] - [ -0.0006827300000000, 0.0002720700000000, -0.0021529900000000 ] - [ -0.0003736100000000, -0.0002060800000000, -0.0006714500000000 ] - [ 0.0001155900000000, 0.0007221000000000, -0.0010273100000000 ] - [ 0.0000996200000000, 0.0002425400000000, -0.0008939300000000 ] - [ 0.0000930100000000, 0.0000685900000000, 0.0008234000000000 ] - [ 0.0009972100000000, -0.0004500300000000, 0.0019580700000000 ] - [ -0.0014841600000000, 0.0016659000000000, -0.0016277800000000 ] - [ -0.0001505500000000, -0.0001805000000000, -0.0009696100000000 ] - [ 0.0006486800000000, 0.0004915100000000, -0.0013887700000000 ] - [ -0.0006259900000000, -0.0006627700000000, -0.0020016600000000 ] - [ -0.0033431100000000, 0.0009951800000000, 0.0010435800000000 ] - [ 0.0026862100000000, 0.0024538700000000, 0.0072841600000000 ] - [ -0.0005345000000000, 0.0010299500000000, 0.0019943100000000 ] - [ -0.0003886200000000, -0.0003565500000000, -0.0008075500000000 ] - [ -0.0226579900000000, 0.0005919400000000, 0.0139403800000000 ] - [ -0.0007816100000000, -0.0029353900000000, -0.0002440700000000 ] - [ 0.0010224000000000, 0.0002193600000000, 0.0018392100000000 ]- atom: 10 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ -0.0002014600000000, -0.0003023200000000, -0.0017419700000000 ] - [ -0.0003959700000000, -0.0010221500000000, -0.0030373500000000 ] - [ 0.0003456500000000, -0.0002804100000000, -0.0017125400000000 ] - [ -0.0003919700000000, -0.0005968400000000, -0.0019767200000000 ] - [ 0.0007201000000000, 0.0004187600000000, -0.0005506600000000 ] - [ 0.0015563200000000, -0.0003079900000000, -0.0010565600000000 ] - [ 0.0003771100000000, -0.0001383100000000, -0.0006882800000000 ] - [ -0.0003879900000000, 0.0007313500000000, -0.0022829400000000 ] - [ -0.0065102500000000, -0.0018273500000000, -0.0069458900000000 ] - [ -0.0542609900000000, -0.0365519900000000, 0.0569834500000000 ] - [ -0.0001411900000000, 0.0004133500000000, -0.0015881300000000 ] - [ -0.0008234500000000, 0.0005653000000000, -0.0011457700000000 ] - [ 0.0076868800000000, -0.0053430000000000, 0.0073769600000000 ] - [ -0.0001687700000000, -0.0006166400000000, -0.0010826400000000 ] - [ 0.0001108800000000, -0.0000882700000000, -0.0017388300000000 ] - [ -0.0003596100000000, 0.0006793200000000, -0.0000103800000000 ] - [ 0.0012796100000000, 0.0002478500000000, -0.0009897200000000 ] - [ -0.0014012300000000, 0.0007788600000000, -0.0000003600000000 ] - [ 0.0014894000000000, 0.0011006400000000, 0.0044403500000000 ] - [ 0.0002773600000000, -0.0005307900000000, -0.0019965200000000 ] - [ 0.0001910700000000, -0.0006371800000000, -0.0019477400000000 ] - [ 0.0002419700000000, -0.0009437500000000, -0.0014438200000000 ] - [ -0.0003120200000000, -0.0002824300000000, -0.0019616400000000 ] - [ -0.0000033500000000, 0.0000039700000000, -0.0016070000000000 ] - [ -0.0001104200000000, 0.0017248000000000, -0.0027027600000000 ] - [ -0.0041023500000000, 0.0005671100000000, 0.0055352100000000 ] - [ 0.0008944300000000, -0.0003329800000000, -0.0011178300000000 ] - [ -0.0006213400000000, -0.0009440900000000, -0.0010897600000000 ] - [ -0.0021675700000000, 0.0014878900000000, 0.0112439600000000 ] - [ 0.0072143200000000, 0.0017070000000000, 0.0018350000000000 ] - [ 0.0007954300000000, -0.0000030300000000, 0.0041218300000000 ] - [ 0.0021926800000000, 0.0029406400000000, 0.0009755000000000 ] - [ 0.0003197300000000, -0.0006574900000000, -0.0021981800000000 ] - [ -0.0005130500000000, 0.0005625500000000, -0.0024654400000000 ] - [ -0.0003655800000000, 0.0002863700000000, -0.0022843600000000 ] - [ 0.0017514800000000, 0.0001285000000000, 0.0023460300000000 ] - [ -0.0006728200000000, 0.0009511400000000, -0.0026652800000000 ] - [ 0.0096294100000000, 0.0208657500000000, -0.0130686300000000 ] - [ 0.0000435300000000, 0.0014707400000000, 0.0036624200000000 ] - [ -0.0006422700000000, -0.0003230000000000, -0.0031094500000000 ] - [ 0.0173129700000000, -0.0087855200000000, -0.0080298200000000 ] - [ 0.0011719400000000, 0.0009414400000000, -0.0016417100000000 ] - [ -0.0039208200000000, 0.0112626100000000, -0.0041387400000000 ] - [ 0.0018178600000000, -0.0038472900000000, -0.0033539700000000 ] - [ 0.0014176900000000, -0.0002631700000000, -0.0023338900000000 ] - [ -0.0002089000000000, -0.0001741200000000, -0.0025310500000000 ] - [ 0.0012912400000000, 0.0004346100000000, 0.0017415400000000 ] - [ -0.0081824100000000, 0.0029049500000000, -0.0082300700000000 ] - [ -0.0002212300000000, -0.0008023800000000, 0.0014424300000000 ] - [ 0.0001120900000000, 0.0003338300000000, 0.0008366900000000 ] - [ -0.0014085800000000, 0.0082316300000000, -0.0095638900000000 ] - [ -0.0015729100000000, 0.0010341000000000, -0.0035761800000000 ] - [ -0.0015572300000000, 0.0000292600000000, -0.0013065700000000 ] - [ 0.0281172500000000, 0.0195864700000000, -0.0074885400000000 ] - [ 0.0001792700000000, 0.0003523900000000, 0.0011720000000000 ] - [ -0.0009224100000000, 0.0005407000000000, -0.0002893200000000 ] - [ -0.0001047500000000, 0.0002254400000000, 0.0012375700000000 ] - [ -0.0001583500000000, 0.0009400900000000, 0.0012686300000000 ] - [ -0.0002214900000000, 0.0002876100000000, 0.0013392900000000 ] - [ -0.0002573700000000, -0.0004425800000000, 0.0012817700000000 ] - [ 0.0007318000000000, -0.0000289500000000, 0.0018901900000000 ] - [ -0.0003214200000000, -0.0010096700000000, 0.0016850400000000 ] - [ -0.0028375100000000, 0.0000098400000000, 0.0026063700000000 ] - [ -0.0007392300000000, 0.0004538000000000, 0.0008780100000000 ] - [ -0.0060609100000000, -0.0029514300000000, 0.0032817100000000 ] - [ 0.0017010800000000, -0.0020333400000000, 0.0023063900000000 ] - [ 0.0003354200000000, -0.0023181000000000, -0.0033062500000000 ] - [ 0.0007707600000000, -0.0006579900000000, 0.0025150200000000 ] - [ -0.0001455600000000, 0.0003008200000000, 0.0007535400000000 ] - [ 0.0001291300000000, 0.0001314900000000, 0.0012209500000000 ] - [ 0.0006096900000000, 0.0001263000000000, 0.0012723100000000 ] - [ 0.0015690500000000, -0.0024958700000000, -0.0026279900000000 ] - [ -0.0003852900000000, 0.0002658900000000, 0.0009689500000000 ] - [ 0.0006103400000000, 0.0000602600000000, 0.0018836900000000 ] - [ -0.0004444400000000, 0.0000877500000000, 0.0011023400000000 ] - [ -0.0000350700000000, -0.0003041100000000, 0.0008892000000000 ] - [ -0.0022922600000000, -0.0009876400000000, -0.0033865100000000 ] - [ -0.0001962400000000, 0.0004944300000000, 0.0009794400000000 ] - [ 0.0000650200000000, -0.0007886000000000, 0.0013282600000000 ] - [ 0.0005213100000000, -0.0001366700000000, 0.0008598800000000 ] - [ -0.0009034200000000, -0.0002273900000000, 0.0010353500000000 ] - [ -0.0050402000000000, 0.0013233800000000, -0.0030665500000000 ] - [ -0.0002594200000000, 0.0000118300000000, 0.0011148500000000 ] - [ -0.0000017600000000, -0.0007477400000000, 0.0007164900000000 ] - [ -0.0026102600000000, 0.0034427900000000, 0.0017211300000000 ] - [ 0.0001171200000000, -0.0002333000000000, 0.0012654500000000 ] - [ -0.0007145500000000, -0.0002511700000000, -0.0005157700000000 ] - [ 0.0018257600000000, 0.0001012600000000, 0.0021358900000000 ] - [ -0.0025237000000000, -0.0000753400000000, -0.0019690400000000 ] - [ -0.0005817300000000, 0.0004013500000000, 0.0011963000000000 ] - [ 0.0002169000000000, 0.0002421900000000, -0.0001438600000000 ] - [ -0.0000438400000000, -0.0066133300000000, -0.0028953800000000 ] - [ -0.0001487700000000, -0.0022983100000000, 0.0012922700000000 ] - [ 0.0006409300000000, 0.0007499700000000, 0.0019424100000000 ] - [ -0.0004102000000000, 0.0002499200000000, 0.0009833800000000 ] - [ 0.0004122600000000, -0.0026696400000000, 0.0031880800000000 ] - [ 0.0003180300000000, -0.0004351300000000, 0.0011884200000000 ] - [ -0.0006259400000000, 0.0000934200000000, -0.0013130500000000 ] - [ 0.0007063000000000, 0.0003833800000000, 0.0016270300000000 ] - [ 0.0017610100000000, -0.0000798900000000, -0.0012138700000000 ] - [ -0.0015150700000000, 0.0026186500000000, 0.0000237900000000 ] - [ 0.0002986100000000, -0.0007670900000000, 0.0005112100000000 ] - [ 0.0002071200000000, 0.0004375700000000, 0.0016645600000000 ] - [ -0.0001307400000000, 0.0000953800000000, 0.0004046400000000 ] - [ -0.0001016900000000, 0.0003608300000000, 0.0008585900000000 ] - [ -0.0003095900000000, -0.0001922400000000, 0.0011610200000000 ] - [ -0.0002282400000000, -0.0007412800000000, 0.0006260000000000 ] - [ 0.0000604700000000, 0.0003425200000000, 0.0000862500000000 ] - [ -0.0010558400000000, 0.0010290800000000, -0.0021857400000000 ] - [ 0.0010135500000000, -0.0018413000000000, 0.0018489500000000 ] - [ 0.0005988800000000, -0.0002042200000000, 0.0020415500000000 ] - [ -0.0004551200000000, -0.0010258300000000, 0.0012580400000000 ] - [ 0.0002533900000000, -0.0006461700000000, 0.0010779500000000 ] - [ 0.0023553700000000, -0.0003617400000000, -0.0010623300000000 ] - [ -0.0023548600000000, -0.0006181400000000, -0.0083175000000000 ] - [ 0.0001573700000000, 0.0002830000000000, -0.0029179600000000 ] - [ -0.0008091300000000, 0.0004580100000000, 0.0013977100000000 ] - [ 0.0197801300000000, -0.0010035900000000, -0.0125980500000000 ] - [ 0.0012820900000000, 0.0023492600000000, 0.0003921200000000 ] - [ -0.0000143500000000, -0.0008511200000000, -0.0018105700000000 ]- atom: 15 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ 0.0027526900000000, -0.0009174900000000, 0.0009252500000000 ] - [ -0.0010196300000000, 0.0002017500000000, -0.0007536000000000 ] - [ 0.0030752600000000, -0.0007076900000000, -0.0005250200000000 ] - [ -0.0067771000000000, -0.0019782900000000, -0.0019129600000000 ] - [ 0.0008056200000000, 0.0002771300000000, -0.0002334300000000 ] - [ 0.0000929900000000, -0.0007785200000000, 0.0009088600000000 ] - [ 0.0002536600000000, -0.0000752600000000, 0.0023874100000000 ] - [ -0.0019903400000000, -0.0003484000000000, -0.0012955700000000 ] - [ -0.0002652800000000, 0.0008219000000000, 0.0002284600000000 ] - [ -0.0001131500000000, -0.0000982000000000, -0.0001665100000000 ] - [ -0.0013505600000000, 0.0009271400000000, 0.0009017100000000 ] - [ -0.0003290800000000, -0.0000796600000000, 0.0001567900000000 ] - [ -0.0001931700000000, 0.0004098000000000, -0.0002126800000000 ] - [ 0.0034680300000000, -0.0017703800000000, 0.0007762200000000 ] - [ -0.1047876200000000, -0.0022383200000000, -0.0154264300000000 ] - [ 0.0018582600000000, -0.0004918500000000, -0.0002264600000000 ] - [ 0.0006448600000000, 0.0002668300000000, -0.0003322100000000 ] - [ -0.0008807700000000, 0.0005517700000000, -0.0001380800000000 ] - [ -0.0001842400000000, 0.0001920700000000, -0.0000033600000000 ] - [ 0.0006862900000000, 0.0005776300000000, 0.0010327000000000 ] - [ 0.0005035700000000, 0.0079839400000000, -0.0104256700000000 ] - [ -0.0035242000000000, 0.0094411500000000, 0.0078675400000000 ] - [ 0.0165315000000000, -0.0043721800000000, 0.0045795400000000 ] - [ 0.0144307300000000, -0.0064487300000000, -0.0006430400000000 ] - [ 0.0002649700000000, -0.0003999900000000, 0.0009780200000000 ] - [ 0.0001825000000000, 0.0005677000000000, -0.0005149700000000 ] - [ 0.0004206400000000, 0.0005072400000000, 0.0017748200000000 ] - [ 0.0011640300000000, 0.0008475800000000, -0.0010179600000000 ] - [ 0.0002301100000000, 0.0004387100000000, -0.0003086700000000 ] - [ 0.0002469100000000, 0.0003582500000000, -0.0003193000000000 ] - [ -0.0002277700000000, 0.0003516600000000, -0.0003286700000000 ] - [ 0.0003204700000000, 0.0008275100000000, -0.0000011500000000 ] - [ 0.0018343500000000, -0.0077932100000000, -0.0081752600000000 ] - [ 0.0046243200000000, 0.0005566500000000, 0.0007487500000000 ] - [ -0.0054920700000000, -0.0113017500000000, 0.0104182100000000 ] - [ 0.0004222800000000, -0.0001751800000000, 0.0009002600000000 ] - [ 0.0053968100000000, 0.0024010700000000, 0.0013651300000000 ] - [ 0.0005439300000000, 0.0003604400000000, 0.0000917600000000 ] - [ -0.0004815800000000, 0.0004037100000000, -0.0005446900000000 ] - [ -0.0024497300000000, 0.0213497800000000, -0.0129464600000000 ] - [ 0.0010202800000000, -0.0009265600000000, 0.0008675300000000 ] - [ 0.0039107500000000, -0.0070382900000000, 0.0107116700000000 ] - [ -0.0012735000000000, -0.0009611600000000, -0.0005506500000000 ] - [ -0.0014815200000000, -0.0001895900000000, 0.0001147700000000 ] - [ 0.0047724000000000, 0.0001571800000000, 0.0002685800000000 ] - [ -0.0017742600000000, -0.0019069300000000, -0.0055069100000000 ] - [ 0.0004125300000000, 0.0004903200000000, 0.0000009500000000 ] - [ 0.0004074900000000, 0.0000812400000000, -0.0012035800000000 ] - [ 0.0201513100000000, -0.0038082000000000, 0.0184330400000000 ] - [ -0.0008102800000000, 0.0001937800000000, -0.0001634900000000 ] - [ 0.0004562700000000, 0.0000706200000000, 0.0007813100000000 ] - [ 0.0000585900000000, -0.0002564500000000, 0.0000006800000000 ] - [ -0.0006134900000000, -0.0001052500000000, -0.0011683700000000 ] - [ -0.0000053000000000, 0.0002275200000000, -0.0001577700000000 ] - [ 0.0011515400000000, 0.0034783100000000, -0.0010378200000000 ] - [ 0.0001029300000000, 0.0006757500000000, 0.0006657500000000 ] - [ 0.0025747900000000, -0.0043892600000000, -0.0008029800000000 ] - [ 0.0011561500000000, 0.0001082300000000, -0.0005987400000000 ] - [ -0.0017044200000000, 0.0018060200000000, -0.0015014400000000 ] - [ 0.0019047500000000, 0.0000670100000000, 0.0012807300000000 ] - [ -0.0005803600000000, 0.0024030600000000, 0.0034633300000000 ] - [ -0.0001416500000000, 0.0009786900000000, -0.0018858100000000 ] - [ -0.0004362900000000, 0.0000101500000000, -0.0001737700000000 ] - [ 0.0008104400000000, -0.0000274900000000, -0.0004715100000000 ] - [ -0.0000668800000000, 0.0002988900000000, -0.0001832400000000 ] - [ 0.0006655800000000, -0.0001989300000000, 0.0008016800000000 ] - [ -0.0000106500000000, 0.0002726500000000, 0.0001431300000000 ] - [ 0.0038634400000000, -0.0030470800000000, 0.0037177400000000 ] - [ -0.0014255400000000, 0.0001437800000000, -0.0006715200000000 ] - [ -0.0015624700000000, 0.0021351700000000, -0.0043721200000000 ] - [ 0.0058407200000000, 0.0014486800000000, -0.0000579200000000 ] - [ 0.0004553200000000, -0.0000250600000000, 0.0000838500000000 ] - [ -0.0036289900000000, -0.0003461400000000, 0.0027978700000000 ] - [ 0.0005492400000000, 0.0005431100000000, -0.0002108700000000 ] - [ -0.0043048800000000, -0.0036397500000000, 0.0038364000000000 ] - [ 0.0431856500000000, 0.0126160400000000, -0.0065988800000000 ] - [ -0.0000597800000000, 0.0002045200000000, -0.0004118900000000 ] - [ 0.0076260500000000, 0.0012007000000000, -0.0006723400000000 ] - [ -0.0000826200000000, 0.0006391700000000, 0.0021604100000000 ] - [ 0.0005357400000000, 0.0001538700000000, 0.0013967500000000 ] - [ -0.0018832800000000, -0.0009235000000000, -0.0009023200000000 ] - [ -0.0004905900000000, -0.0001959800000000, -0.0008685600000000 ] - [ -0.0015923100000000, -0.0003551100000000, 0.0000415600000000 ] - [ 0.0091621000000000, -0.0047021500000000, 0.0018514800000000 ] - [ -0.0003474300000000, 0.0008290100000000, 0.0004650300000000 ] - [ 0.0015769800000000, -0.0044337600000000, 0.0008086600000000 ] - [ 0.0000476600000000, -0.0003179400000000, 0.0000354200000000 ] - [ 0.0000565100000000, -0.0001481800000000, 0.0006228200000000 ] - [ -0.0003874400000000, 0.0001639900000000, -0.0001395000000000 ] - [ -0.0001905100000000, 0.0005007600000000, -0.0033393200000000 ] - [ 0.0000546000000000, 0.0003961800000000, 0.0003776700000000 ] - [ 0.0000283300000000, -0.0002169400000000, 0.0001025500000000 ] - [ -0.0000352600000000, -0.0002927200000000, -0.0006086400000000 ] - [ 0.0004015400000000, -0.0000555000000000, -0.0001174600000000 ] - [ -0.0021019600000000, -0.0004789900000000, -0.0026080500000000 ] - [ 0.0003251300000000, -0.0000983300000000, -0.0002017700000000 ] - [ -0.0022772300000000, -0.0005129800000000, -0.0004743100000000 ] - [ 0.0001321200000000, 0.0001704900000000, -0.0002353900000000 ] - [ -0.0015818900000000, -0.0002336500000000, 0.0002029100000000 ] - [ -0.0000450500000000, -0.0002514400000000, 0.0001329700000000 ] - [ 0.0002989800000000, 0.0001754300000000, 0.0004090200000000 ] - [ -0.0039749900000000, -0.0009290700000000, -0.0023178200000000 ] - [ 0.0004182500000000, 0.0001277400000000, 0.0012662400000000 ] - [ 0.0043380000000000, -0.0068245000000000, 0.0001915000000000 ] - [ 0.0001359400000000, 0.0008373300000000, 0.0013225000000000 ] - [ -0.0019733100000000, 0.0001576600000000, 0.0003154200000000 ] - [ -0.0011302500000000, -0.0000339000000000, -0.0006086000000000 ] - [ 0.0000474400000000, 0.0000650200000000, 0.0007252900000000 ] - [ -0.0000220100000000, 0.0002994600000000, -0.0000790200000000 ] - [ -0.0004748200000000, -0.0002381800000000, 0.0006121000000000 ] - [ -0.0025783800000000, 0.0003645500000000, -0.0008907700000000 ] - [ -0.0014326800000000, -0.0004751800000000, 0.0000965400000000 ] - [ -0.0021303400000000, 0.0019295100000000, 0.0015307700000000 ] - [ -0.0008822200000000, 0.0003786000000000, 0.0000488300000000 ] - [ 0.0003364400000000, 0.0009025100000000, -0.0005311300000000 ] - [ -0.0000905800000000, 0.0006517100000000, -0.0003799800000000 ] - [ -0.0044124000000000, 0.0002535600000000, -0.0000049900000000 ] - [ -0.0004710400000000, -0.0000917000000000, 0.0003012500000000 ] - [ 0.0006329600000000, -0.0002928100000000, 0.0001133100000000 ] - [ 0.0001754300000000, -0.0002856300000000, 0.0000199600000000 ]- atom: 15 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ -0.0028978900000000, 0.0004195000000000, -0.0009794200000000 ] - [ 0.0012359300000000, -0.0009059800000000, 0.0012406000000000 ] - [ -0.0025404800000000, -0.0002418500000000, -0.0000619300000000 ] - [ 0.0060403100000000, 0.0011162700000000, 0.0013119300000000 ] - [ -0.0005802400000000, 0.0004339400000000, 0.0007383900000000 ] - [ -0.0003812800000000, -0.0004135900000000, 0.0000923400000000 ] - [ -0.0007829000000000, -0.0008798300000000, -0.0018125800000000 ] - [ 0.0021374700000000, -0.0001566800000000, 0.0013775200000000 ] - [ 0.0000444900000000, 0.0008169700000000, -0.0000704900000000 ] - [ -0.0000309800000000, -0.0002030700000000, -0.0001460500000000 ] - [ 0.0010516100000000, 0.0002621400000000, 0.0001020200000000 ] - [ 0.0010579100000000, 0.0009237300000000, 0.0004373700000000 ] - [ -0.0000222600000000, 0.0003034300000000, -0.0002736700000000 ] - [ -0.0036859200000000, 0.0001292800000000, -0.0006238300000000 ] - [ 0.1063167500000000, 0.0030225600000000, 0.0136038300000000 ] - [ -0.0011335400000000, -0.0003522000000000, 0.0008182800000000 ] - [ -0.0004988900000000, 0.0002335000000000, 0.0003999800000000 ] - [ 0.0006433600000000, 0.0000775000000000, 0.0007701900000000 ] - [ 0.0000334200000000, 0.0003056800000000, -0.0000772500000000 ] - [ -0.0005495000000000, -0.0008864400000000, -0.0007308300000000 ] - [ -0.0002327500000000, -0.0092180600000000, 0.0094447500000000 ] - [ 0.0038024500000000, -0.0111341200000000, -0.0080596800000000 ] - [ -0.0165622500000000, 0.0035961200000000, -0.0050032100000000 ] - [ -0.0147098700000000, 0.0067586900000000, 0.0003557600000000 ] - [ -0.0007982900000000, 0.0013633200000000, -0.0003961400000000 ] - [ 0.0001066400000000, 0.0006238300000000, -0.0004865400000000 ] - [ -0.0002686600000000, -0.0002089900000000, -0.0014612000000000 ] - [ -0.0014086700000000, -0.0014752200000000, 0.0016465000000000 ] - [ 0.0003047000000000, 0.0005175400000000, -0.0002706800000000 ] - [ -0.0000070700000000, 0.0002734300000000, -0.0003133600000000 ] - [ -0.0004981400000000, 0.0004920400000000, -0.0002657300000000 ] - [ -0.0000998300000000, 0.0008136200000000, -0.0001593600000000 ] - [ -0.0011340300000000, 0.0069268300000000, 0.0087647100000000 ] - [ -0.0065651100000000, 0.0000893100000000, -0.0009001200000000 ] - [ 0.0053353600000000, 0.0116729700000000, -0.0094467100000000 ] - [ -0.0006075800000000, -0.0001402900000000, 0.0000950700000000 ] - [ -0.0070399300000000, -0.0005544100000000, -0.0030025200000000 ] - [ 0.0013916400000000, 0.0002864100000000, 0.0000651400000000 ] - [ -0.0003456500000000, 0.0004023100000000, -0.0000983700000000 ] - [ 0.0016205100000000, -0.0220195000000000, 0.0122190700000000 ] - [ 0.0006271800000000, -0.0009345100000000, 0.0007669800000000 ] - [ -0.0021796300000000, 0.0089480000000000, -0.0090625600000000 ] - [ -0.0003719400000000, -0.0009000500000000, -0.0010851600000000 ] - [ -0.0004547900000000, -0.0004580600000000, -0.0002689100000000 ] - [ -0.0028368000000000, -0.0007944700000000, -0.0000961900000000 ] - [ 0.0020002200000000, 0.0015988800000000, 0.0045279200000000 ] - [ 0.0004201600000000, 0.0003165800000000, 0.0006412600000000 ] - [ -0.0002217900000000, 0.0002333900000000, 0.0002046300000000 ] - [ -0.0202828200000000, 0.0029450900000000, -0.0174874700000000 ] - [ 0.0020121400000000, -0.0002938900000000, -0.0004281100000000 ] - [ 0.0002653600000000, 0.0000979100000000, 0.0003152600000000 ] - [ 0.0001421300000000, -0.0002496400000000, 0.0000139800000000 ] - [ -0.0001070700000000, -0.0000638300000000, 0.0000746900000000 ] - [ 0.0001677000000000, 0.0002332300000000, -0.0001010400000000 ] - [ -0.0006726900000000, -0.0036528600000000, 0.0008391500000000 ] - [ 0.0002720500000000, 0.0006319400000000, 0.0002526800000000 ] - [ -0.0026165800000000, 0.0037821200000000, 0.0005785500000000 ] - [ 0.0000421300000000, -0.0000043600000000, 0.0000048500000000 ] - [ 0.0018861600000000, -0.0013184900000000, 0.0015280500000000 ] - [ -0.0029198500000000, -0.0006904400000000, -0.0012931700000000 ] - [ 0.0012964400000000, -0.0025955000000000, -0.0023881400000000 ] - [ -0.0003823600000000, -0.0027117700000000, 0.0027855300000000 ] - [ -0.0002585200000000, 0.0000414700000000, -0.0001795600000000 ] - [ -0.0006147500000000, 0.0005557300000000, 0.0003359600000000 ] - [ -0.0004395400000000, 0.0002578900000000, 0.0000315300000000 ] - [ 0.0001471800000000, -0.0001689900000000, 0.0009422800000000 ] - [ 0.0001437700000000, 0.0002250100000000, 0.0001326200000000 ] - [ -0.0034706700000000, 0.0017198800000000, -0.0027805300000000 ] - [ 0.0009765600000000, 0.0002386300000000, -0.0004090000000000 ] - [ 0.0008553100000000, -0.0019826400000000, 0.0033099500000000 ] - [ -0.0048549400000000, -0.0008184200000000, 0.0000758000000000 ] - [ 0.0002390700000000, 0.0000773000000000, 0.0002701200000000 ] - [ 0.0041398300000000, 0.0009068000000000, -0.0026440700000000 ] - [ -0.0006812500000000, -0.0000460800000000, -0.0000622500000000 ] - [ 0.0038510900000000, 0.0042288200000000, -0.0037090200000000 ] - [ -0.0459298000000000, -0.0145224100000000, 0.0069198900000000 ] - [ -0.0000953800000000, 0.0002050400000000, -0.0004957700000000 ] - [ -0.0071589300000000, -0.0005563800000000, 0.0005921100000000 ] - [ 0.0001619900000000, -0.0011989000000000, -0.0019314100000000 ] - [ -0.0000038100000000, 0.0003202300000000, -0.0014040100000000 ] - [ 0.0013801000000000, 0.0003622900000000, 0.0007392100000000 ] - [ -0.0003241400000000, -0.0001722100000000, -0.0008780500000000 ] - [ 0.0014266900000000, -0.0001073700000000, 0.0002212200000000 ] - [ -0.0084101200000000, 0.0046861500000000, -0.0030648700000000 ] - [ -0.0001609200000000, 0.0009116000000000, 0.0004525400000000 ] - [ -0.0014551600000000, 0.0039517300000000, -0.0005297400000000 ] - [ 0.0004103900000000, -0.0002803500000000, -0.0001564200000000 ] - [ 0.0004827600000000, -0.0003300900000000, -0.0006282600000000 ] - [ -0.0001490200000000, 0.0003107100000000, 0.0001441100000000 ] - [ -0.0005189900000000, -0.0005640200000000, 0.0029771700000000 ] - [ 0.0000041000000000, 0.0001807600000000, -0.0001545200000000 ] - [ -0.0002251200000000, -0.0003124800000000, 0.0000304700000000 ] - [ -0.0001642800000000, -0.0002133200000000, 0.0005971500000000 ] - [ -0.0005627200000000, 0.0005173700000000, 0.0003785400000000 ] - [ 0.0019015700000000, 0.0009941700000000, 0.0026031200000000 ] - [ -0.0007706200000000, -0.0002873300000000, -0.0008680000000000 ] - [ 0.0029655200000000, 0.0004584600000000, 0.0008259400000000 ] - [ 0.0003446300000000, -0.0000139100000000, 0.0000443800000000 ] - [ 0.0023977000000000, 0.0006039500000000, 0.0015468000000000 ] - [ -0.0004121700000000, -0.0003472000000000, -0.0000125000000000 ] - [ 0.0001482400000000, 0.0002093200000000, 0.0006619600000000 ] - [ 0.0044818700000000, -0.0008005800000000, 0.0014033600000000 ] - [ -0.0002309800000000, -0.0005580500000000, -0.0003694000000000 ] - [ -0.0050072100000000, 0.0072448100000000, -0.0019772000000000 ] - [ -0.0006196000000000, -0.0006812300000000, -0.0011335000000000 ] - [ 0.0017793300000000, 0.0003686800000000, -0.0001858800000000 ] - [ 0.0009980400000000, -0.0004646000000000, 0.0003364600000000 ] - [ 0.0001084000000000, 0.0003456400000000, 0.0001815600000000 ] - [ -0.0000348200000000, 0.0002788800000000, -0.0001456900000000 ] - [ -0.0000005200000000, 0.0000816200000000, -0.0004207400000000 ] - [ 0.0030310300000000, -0.0007492000000000, 0.0019547400000000 ] - [ 0.0016299500000000, -0.0000568800000000, -0.0002295200000000 ] - [ 0.0017718900000000, -0.0032113600000000, -0.0024270900000000 ] - [ -0.0001199900000000, 0.0002516500000000, -0.0000718900000000 ] - [ 0.0001729500000000, 0.0008369300000000, -0.0003861100000000 ] - [ -0.0002846300000000, 0.0006569200000000, -0.0005410100000000 ] - [ 0.0032086800000000, -0.0001534100000000, 0.0005871000000000 ] - [ -0.0007272500000000, -0.0000124300000000, 0.0002899500000000 ] - [ -0.0001254500000000, -0.0002636400000000, 0.0000382100000000 ] - [ 0.0008264600000000, -0.0003449500000000, 0.0000052700000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002196400000000, 0.0030043800000000, 0.0004999900000000 ] - [ 0.0011640600000000, 0.0020509600000000, -0.0001736800000000 ] - [ -0.0004481700000000, 0.0022765100000000, 0.0008820000000000 ] - [ 0.0014575200000000, 0.0113721000000000, 0.0050560800000000 ] - [ -0.0002966800000000, -0.0001470700000000, 0.0002655400000000 ] - [ -0.0003708200000000, -0.0007470500000000, -0.0000913700000000 ] - [ -0.0006859000000000, -0.0028010900000000, 0.0000589100000000 ] - [ 0.0012677500000000, -0.0029679300000000, -0.0006892300000000 ] - [ -0.0000516300000000, 0.0008679400000000, -0.0000070000000000 ] - [ 0.0000035700000000, -0.0000926800000000, -0.0003743700000000 ] - [ 0.0010963300000000, 0.0007526500000000, 0.0019155800000000 ] - [ 0.0007319600000000, 0.0016421400000000, -0.0005351600000000 ] - [ -0.0001692700000000, 0.0004397400000000, -0.0004573200000000 ] - [ -0.0007830300000000, -0.0021613100000000, -0.0009343500000000 ] - [ -0.0019622900000000, -0.0995418600000000, 0.0137580600000000 ] - [ -0.0007446300000000, -0.0010530600000000, 0.0011368900000000 ] - [ -0.0003214900000000, 0.0007084700000000, 0.0001444400000000 ] - [ 0.0001183900000000, -0.0001267900000000, 0.0003810000000000 ] - [ -0.0001079900000000, 0.0001686600000000, -0.0002505600000000 ] - [ -0.0000135100000000, -0.0008564300000000, -0.0005967200000000 ] - [ 0.0032823500000000, 0.0041020500000000, -0.0037810800000000 ] - [ 0.0105307900000000, 0.0132122700000000, 0.0044863500000000 ] - [ -0.0022924300000000, -0.0061579300000000, 0.0027201100000000 ] - [ -0.0000843100000000, -0.0064779300000000, 0.0013857700000000 ] - [ -0.0003068000000000, 0.0011955600000000, -0.0003570800000000 ] - [ 0.0001777500000000, 0.0005977900000000, -0.0005729600000000 ] - [ -0.0006955900000000, 0.0018067000000000, -0.0007622100000000 ] - [ -0.0012800400000000, 0.0015210300000000, 0.0002067200000000 ] - [ 0.0003452700000000, 0.0003986400000000, -0.0005014300000000 ] - [ 0.0000766100000000, 0.0003364800000000, -0.0004506800000000 ] - [ -0.0004159500000000, 0.0003900700000000, -0.0004774700000000 ] - [ 0.0000291400000000, 0.0007985200000000, -0.0003000000000000 ] - [ -0.0202721400000000, 0.0028425800000000, 0.0106529000000000 ] - [ -0.0008147300000000, 0.0002990500000000, -0.0011336400000000 ] - [ -0.0031555400000000, 0.0094052800000000, -0.0089987700000000 ] - [ -0.0003250800000000, -0.0001872800000000, 0.0003299100000000 ] - [ -0.0009632200000000, 0.0010679600000000, -0.0000567800000000 ] - [ 0.0009836300000000, 0.0003458100000000, -0.0008195000000000 ] - [ -0.0003811000000000, 0.0004065300000000, -0.0004574600000000 ] - [ 0.0100088900000000, 0.0100003600000000, -0.0082399900000000 ] - [ 0.0007912300000000, -0.0009992600000000, 0.0005910800000000 ] - [ -0.0176074500000000, 0.0085180200000000, -0.0214995500000000 ] - [ -0.0006990800000000, -0.0008053200000000, -0.0013461300000000 ] - [ -0.0007051300000000, -0.0001417000000000, 0.0000997900000000 ] - [ 0.0009456600000000, -0.0006061500000000, 0.0005614300000000 ] - [ -0.0042002800000000, 0.0001057800000000, 0.0031253200000000 ] - [ 0.0004316800000000, 0.0003367700000000, -0.0000390100000000 ] - [ 0.0000622200000000, -0.0000389700000000, -0.0008763100000000 ] - [ -0.0056248000000000, 0.0041970200000000, -0.0073389000000000 ] - [ 0.0007112700000000, 0.0005016700000000, 0.0001074500000000 ] - [ 0.0002854800000000, 0.0001222600000000, 0.0006021000000000 ] - [ 0.0000477600000000, -0.0002583500000000, 0.0001545300000000 ] - [ -0.0003174000000000, -0.0001295000000000, -0.0006022200000000 ] - [ 0.0000842700000000, 0.0002013200000000, -0.0000054600000000 ] - [ 0.0009391800000000, -0.0031110300000000, -0.0000562000000000 ] - [ 0.0002372100000000, 0.0006461100000000, 0.0004183200000000 ] - [ -0.0030687900000000, -0.0044640900000000, -0.0004442400000000 ] - [ 0.0000254400000000, -0.0005707900000000, 0.0000052300000000 ] - [ 0.0065279600000000, 0.0006234200000000, 0.0004920300000000 ] - [ 0.0007932500000000, -0.0017084200000000, -0.0042154200000000 ] - [ 0.0019926200000000, 0.0004127100000000, -0.0003073600000000 ] - [ 0.0020902200000000, -0.0076975600000000, 0.0051171700000000 ] - [ -0.0003369100000000, -0.0001053800000000, -0.0000587800000000 ] - [ -0.0005049200000000, 0.0009241500000000, -0.0000302600000000 ] - [ -0.0003138500000000, 0.0002634100000000, 0.0002478300000000 ] - [ 0.0004509100000000, -0.0001200400000000, 0.0013308400000000 ] - [ 0.0000943500000000, 0.0002865000000000, 0.0002616200000000 ] - [ -0.0015227000000000, -0.0018603000000000, 0.0042926100000000 ] - [ -0.0002099000000000, 0.0002231700000000, -0.0009872200000000 ] - [ 0.0008165500000000, -0.0011209800000000, 0.0016735700000000 ] - [ -0.0000244400000000, -0.0014924300000000, 0.0019823600000000 ] - [ 0.0003151700000000, 0.0001819200000000, 0.0004433400000000 ] - [ -0.0005581000000000, 0.0000682400000000, 0.0010770900000000 ] - [ -0.0002916900000000, -0.0005080200000000, -0.0002512700000000 ] - [ -0.0017728000000000, -0.0015052400000000, 0.0015889100000000 ] - [ 0.0167564500000000, 0.0124544300000000, -0.0026968700000000 ] - [ -0.0000570300000000, 0.0001982000000000, -0.0003566100000000 ] - [ 0.0035518500000000, 0.0121110900000000, 0.0073508100000000 ] - [ 0.0032228500000000, 0.0025723100000000, -0.0024249500000000 ] - [ 0.0008077100000000, 0.0011182000000000, -0.0008053000000000 ] - [ -0.0008199200000000, -0.0000256600000000, -0.0005137200000000 ] - [ -0.0003322000000000, -0.0001673800000000, -0.0007250400000000 ] - [ 0.0003301600000000, -0.0006892000000000, 0.0008135500000000 ] - [ -0.0009581900000000, 0.0041814800000000, -0.0006633100000000 ] - [ -0.0002424000000000, 0.0009731000000000, 0.0006115400000000 ] - [ 0.0004095900000000, -0.0058489200000000, -0.0004141900000000 ] - [ 0.0002492700000000, -0.0003105800000000, 0.0000494200000000 ] - [ 0.0002364600000000, -0.0006435500000000, 0.0000475600000000 ] - [ -0.0002084700000000, 0.0002177000000000, 0.0000853100000000 ] - [ 0.0019446500000000, 0.0026857000000000, 0.0049203300000000 ] - [ 0.0000012200000000, 0.0001762100000000, 0.0002273200000000 ] - [ -0.0001566200000000, -0.0000550000000000, 0.0003721800000000 ] - [ -0.0001762400000000, -0.0002311900000000, 0.0004819900000000 ] - [ -0.0003375300000000, 0.0006835300000000, -0.0000335800000000 ] - [ -0.0010856900000000, -0.0002705200000000, -0.0013808100000000 ] - [ -0.0001335900000000, -0.0002358200000000, 0.0004157700000000 ] - [ 0.0005947600000000, -0.0010090000000000, 0.0000776900000000 ] - [ 0.0002930900000000, 0.0001279200000000, -0.0000076000000000 ] - [ 0.0007258900000000, -0.0000562200000000, 0.0003753100000000 ] - [ -0.0003072400000000, -0.0002986800000000, 0.0001027100000000 ] - [ 0.0002492300000000, 0.0001511400000000, 0.0007021300000000 ] - [ -0.0007348500000000, 0.0004955000000000, -0.0016424600000000 ] - [ 0.0031357900000000, -0.0045830000000000, -0.0022629100000000 ] - [ -0.0065404800000000, 0.0377036100000000, -0.0026958300000000 ] - [ 0.0005314300000000, -0.0011485000000000, -0.0006919000000000 ] - [ -0.0000208200000000, -0.0001174900000000, -0.0003319400000000 ] - [ 0.0009071200000000, 0.0003577500000000, 0.0000632700000000 ] - [ 0.0001311300000000, 0.0003194600000000, 0.0005119500000000 ] - [ -0.0000213000000000, 0.0002755800000000, -0.0000005700000000 ] - [ -0.0003218000000000, 0.0004742300000000, -0.0000829100000000 ] - [ 0.0010872800000000, -0.0006250900000000, 0.0011740000000000 ] - [ 0.0002172500000000, -0.0008610900000000, 0.0003623800000000 ] - [ 0.0046066100000000, -0.0009643200000000, -0.0000032900000000 ] - [ -0.0003094000000000, 0.0003614000000000, 0.0001625000000000 ] - [ 0.0002344700000000, 0.0007430800000000, -0.0002829600000000 ] - [ -0.0001861800000000, 0.0006564000000000, -0.0002887100000000 ] - [ -0.0011800200000000, 0.0008802400000000, -0.0001762800000000 ] - [ -0.0006623300000000, -0.0002348300000000, 0.0005887200000000 ] - [ -0.0000974000000000, -0.0003138200000000, 0.0000818200000000 ] - [ 0.0006692400000000, -0.0002891500000000, -0.0000722600000000 ]- atom: 15 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000863800000000, -0.0035001000000000, -0.0005572700000000 ] - [ -0.0009462900000000, -0.0027612300000000, 0.0006585200000000 ] - [ 0.0009676600000000, -0.0032307600000000, -0.0014672900000000 ] - [ -0.0021775200000000, -0.0121347300000000, -0.0056302200000000 ] - [ 0.0005198700000000, 0.0008584500000000, 0.0002357900000000 ] - [ 0.0000800500000000, -0.0004439900000000, 0.0010938600000000 ] - [ 0.0001467400000000, 0.0018383500000000, 0.0005205300000000 ] - [ -0.0011122100000000, 0.0024674200000000, 0.0007697000000000 ] - [ -0.0001695900000000, 0.0007702400000000, 0.0001671900000000 ] - [ -0.0001475000000000, -0.0002091200000000, 0.0000612600000000 ] - [ -0.0013764900000000, 0.0004353700000000, -0.0009052900000000 ] - [ -0.0000062800000000, -0.0007949100000000, 0.0011289600000000 ] - [ -0.0000477400000000, 0.0002732800000000, -0.0000296200000000 ] - [ 0.0005511100000000, 0.0005172000000000, 0.0010957800000000 ] - [ 0.0032564200000000, 0.0966067100000000, -0.0127117500000000 ] - [ 0.0014717500000000, 0.0002080900000000, -0.0005435400000000 ] - [ 0.0004636000000000, -0.0002082400000000, -0.0000784500000000 ] - [ -0.0003569800000000, 0.0007575100000000, 0.0002515700000000 ] - [ -0.0000454100000000, 0.0003306700000000, 0.0001689400000000 ] - [ 0.0001540300000000, 0.0005493400000000, 0.0008985500000000 ] - [ -0.0030173000000000, -0.0052574700000000, 0.0027822800000000 ] - [ -0.0104248400000000, -0.0149355800000000, -0.0046987000000000 ] - [ 0.0020241600000000, 0.0054667800000000, -0.0032295200000000 ] - [ -0.0000218000000000, 0.0067375900000000, -0.0016893700000000 ] - [ -0.0002223000000000, -0.0002326300000000, 0.0009401800000000 ] - [ 0.0001128800000000, 0.0005944400000000, -0.0004278500000000 ] - [ 0.0008371800000000, -0.0015034100000000, 0.0010738200000000 ] - [ 0.0010416000000000, -0.0021569600000000, 0.0004328100000000 ] - [ 0.0001899000000000, 0.0005591200000000, -0.0000788900000000 ] - [ 0.0001620800000000, 0.0002961100000000, -0.0001820800000000 ] - [ -0.0003093200000000, 0.0004546500000000, -0.0001164500000000 ] - [ 0.0001916100000000, 0.0008426900000000, 0.0001387100000000 ] - [ 0.0211574400000000, -0.0036642800000000, -0.0100797400000000 ] - [ -0.0011118200000000, 0.0003500900000000, 0.0009719400000000 ] - [ 0.0029965000000000, -0.0090385900000000, 0.0100456500000000 ] - [ 0.0001383900000000, -0.0001276300000000, 0.0006669700000000 ] - [ -0.0006744300000000, 0.0008067700000000, -0.0015664700000000 ] - [ 0.0009517400000000, 0.0003029800000000, 0.0009727900000000 ] - [ -0.0004474000000000, 0.0003996400000000, -0.0001863500000000 ] - [ -0.0107022800000000, -0.0108594000000000, 0.0075710400000000 ] - [ 0.0008555300000000, -0.0008617900000000, 0.0010429200000000 ] - [ 0.0191708300000000, -0.0065522700000000, 0.0230536700000000 ] - [ -0.0009462500000000, -0.0010551600000000, -0.0002899700000000 ] - [ -0.0012301900000000, -0.0005087200000000, -0.0002583000000000 ] - [ 0.0009898900000000, -0.0000527100000000, -0.0004104500000000 ] - [ 0.0043535700000000, -0.0004314700000000, -0.0041043700000000 ] - [ 0.0003956200000000, 0.0004703300000000, 0.0006805200000000 ] - [ 0.0001256100000000, 0.0003563400000000, -0.0001222300000000 ] - [ 0.0050935600000000, -0.0045697900000000, 0.0073341100000000 ] - [ 0.0004900400000000, -0.0006019200000000, -0.0006947200000000 ] - [ 0.0004373000000000, 0.0000455100000000, 0.0004936100000000 ] - [ 0.0001495800000000, -0.0002475900000000, -0.0001374000000000 ] - [ -0.0004051700000000, -0.0000385200000000, -0.0004934600000000 ] - [ 0.0000799000000000, 0.0002608500000000, -0.0002505500000000 ] - [ -0.0004695700000000, 0.0029349800000000, -0.0001536700000000 ] - [ 0.0001390000000000, 0.0006620800000000, 0.0005004600000000 ] - [ 0.0029837600000000, 0.0038903700000000, 0.0002352300000000 ] - [ 0.0011770600000000, 0.0006753900000000, -0.0005951700000000 ] - [ -0.0063083100000000, -0.0001171900000000, -0.0004707300000000 ] - [ -0.0017812000000000, 0.0010784300000000, 0.0041598300000000 ] - [ -0.0012571600000000, -0.0005699600000000, 0.0013973400000000 ] - [ -0.0026009900000000, 0.0059745600000000, -0.0042106500000000 ] - [ -0.0003586500000000, 0.0001597800000000, -0.0002947500000000 ] - [ 0.0007020800000000, -0.0003944700000000, -0.0000995200000000 ] - [ -0.0001942300000000, 0.0002916800000000, -0.0003977900000000 ] - [ 0.0003630500000000, -0.0002472500000000, 0.0004141200000000 ] - [ 0.0000378700000000, 0.0002097700000000, 0.0000156300000000 ] - [ 0.0018757200000000, 0.0005578800000000, -0.0033661900000000 ] - [ -0.0002354700000000, 0.0001619400000000, -0.0000849400000000 ] - [ -0.0015331300000000, 0.0012782700000000, -0.0027538800000000 ] - [ 0.0010204400000000, 0.0021054200000000, -0.0019516800000000 ] - [ 0.0003803700000000, -0.0001273600000000, -0.0000888700000000 ] - [ 0.0010543700000000, 0.0004835000000000, -0.0009141800000000 ] - [ 0.0001560300000000, 0.0010015300000000, -0.0000276700000000 ] - [ 0.0013257200000000, 0.0021278000000000, -0.0014868500000000 ] - [ -0.0170413900000000, -0.0129050100000000, 0.0025147000000000 ] - [ -0.0000987100000000, 0.0002101500000000, -0.0005484700000000 ] - [ -0.0029327200000000, -0.0121715900000000, -0.0082701100000000 ] - [ -0.0031753900000000, -0.0031534100000000, 0.0026488800000000 ] - [ -0.0002677300000000, -0.0006348900000000, 0.0008017600000000 ] - [ 0.0003056800000000, -0.0005244300000000, 0.0003649300000000 ] - [ -0.0004818700000000, -0.0001986900000000, -0.0010180000000000 ] - [ -0.0004887400000000, 0.0002260300000000, -0.0005567000000000 ] - [ 0.0009636900000000, -0.0045204200000000, -0.0003071500000000 ] - [ -0.0002677400000000, 0.0007686400000000, 0.0003081200000000 ] - [ -0.0002546500000000, 0.0053436400000000, 0.0006841300000000 ] - [ 0.0002076300000000, -0.0002890600000000, -0.0001666400000000 ] - [ 0.0002979700000000, 0.0001650900000000, -0.0000517700000000 ] - [ -0.0003282900000000, 0.0002581600000000, -0.0000840700000000 ] - [ -0.0026302600000000, -0.0027261000000000, -0.0052572300000000 ] - [ 0.0000566500000000, 0.0004017000000000, -0.0000059600000000 ] - [ -0.0000404500000000, -0.0004734200000000, -0.0002399800000000 ] - [ -0.0000228100000000, -0.0002746800000000, -0.0004946200000000 ] - [ 0.0001717100000000, -0.0002184700000000, 0.0002895500000000 ] - [ 0.0008950300000000, 0.0007722400000000, 0.0013574600000000 ] - [ -0.0003131800000000, -0.0001474400000000, -0.0014864200000000 ] - [ 0.0000970700000000, 0.0009486300000000, 0.0002746000000000 ] - [ 0.0001823800000000, 0.0000294100000000, -0.0001848000000000 ] - [ 0.0000867500000000, 0.0004234100000000, 0.0013686100000000 ] - [ -0.0001492500000000, -0.0003004400000000, 0.0000150700000000 ] - [ 0.0001991000000000, 0.0002329300000000, 0.0003726500000000 ] - [ 0.0012380600000000, -0.0022359900000000, 0.0007154100000000 ] - [ -0.0029750600000000, 0.0041617700000000, 0.0031618400000000 ] - [ 0.0048247100000000, -0.0346620100000000, 0.0002224300000000 ] - [ -0.0010001800000000, 0.0013034300000000, 0.0008807700000000 ] - [ -0.0001757500000000, 0.0006496800000000, 0.0004613900000000 ] - [ -0.0010360800000000, -0.0008536500000000, -0.0003399500000000 ] - [ 0.0000242600000000, 0.0000918600000000, 0.0003927900000000 ] - [ -0.0000359800000000, 0.0003039900000000, -0.0002204400000000 ] - [ -0.0001540700000000, -0.0006320100000000, 0.0002767600000000 ] - [ -0.0006395200000000, 0.0002359400000000, -0.0001035600000000 ] - [ -0.0000216200000000, 0.0003282400000000, -0.0004907200000000 ] - [ -0.0050056200000000, -0.0003488900000000, -0.0009106000000000 ] - [ -0.0006931900000000, 0.0002670100000000, -0.0001834100000000 ] - [ 0.0002759800000000, 0.0009971600000000, -0.0006346000000000 ] - [ -0.0001904100000000, 0.0006519200000000, -0.0006314600000000 ] - [ -0.0000199300000000, -0.0007685000000000, 0.0007726100000000 ] - [ -0.0005375500000000, 0.0001324900000000, 0.0000006600000000 ] - [ 0.0006014800000000, -0.0002399100000000, 0.0000695300000000 ] - [ 0.0003298700000000, -0.0003392000000000, 0.0000945800000000 ]- atom: 15 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ -0.0008868200000000, -0.0004981100000000, -0.0050822000000000 ] - [ 0.0011337500000000, -0.0002689000000000, 0.0025342300000000 ] - [ -0.0008864600000000, -0.0001819800000000, -0.0027330000000000 ] - [ 0.0015424600000000, -0.0005023100000000, -0.0060212400000000 ] - [ -0.0004666600000000, 0.0006025900000000, 0.0013471800000000 ] - [ -0.0001981900000000, -0.0005893500000000, 0.0012338900000000 ] - [ 0.0008524600000000, 0.0003847300000000, 0.0005372400000000 ] - [ 0.0008371000000000, -0.0010970000000000, 0.0039125700000000 ] - [ -0.0000756500000000, 0.0008626200000000, 0.0014429100000000 ] - [ -0.0000300800000000, -0.0004251800000000, 0.0012811500000000 ] - [ 0.0013977200000000, 0.0010075400000000, 0.0017576700000000 ] - [ 0.0000859600000000, -0.0000855100000000, 0.0024518100000000 ] - [ 0.0001224600000000, 0.0003678400000000, 0.0011931200000000 ] - [ -0.0019470800000000, -0.0000240500000000, -0.0006090900000000 ] - [ 0.0353012200000000, 0.0132973400000000, -0.0490690200000000 ] - [ -0.0015922200000000, -0.0002037800000000, 0.0019021700000000 ] - [ -0.0003743900000000, -0.0000351900000000, 0.0010213100000000 ] - [ -0.0001753600000000, 0.0002644900000000, 0.0019574700000000 ] - [ 0.0000870600000000, 0.0002767600000000, 0.0014068700000000 ] - [ 0.0006904300000000, 0.0003719000000000, 0.0016150900000000 ] - [ -0.0036557000000000, -0.0080754200000000, 0.0029870000000000 ] - [ 0.0098522500000000, -0.0017239600000000, -0.0086393800000000 ] - [ -0.0019299600000000, 0.0032721500000000, -0.0113982500000000 ] - [ -0.0086252600000000, 0.0046088000000000, -0.0030505900000000 ] - [ 0.0002926100000000, -0.0001784200000000, 0.0015682700000000 ] - [ -0.0001055500000000, 0.0005968800000000, 0.0008726600000000 ] - [ 0.0004006300000000, -0.0003291400000000, -0.0000114600000000 ] - [ -0.0018910700000000, -0.0007462100000000, 0.0015806100000000 ] - [ 0.0002872700000000, 0.0008168800000000, 0.0010998000000000 ] - [ 0.0000585600000000, 0.0004157300000000, 0.0007786500000000 ] - [ -0.0004394900000000, 0.0003974700000000, 0.0010520900000000 ] - [ 0.0001708700000000, 0.0008259400000000, 0.0011397000000000 ] - [ -0.0192367900000000, 0.0082783400000000, 0.0089644900000000 ] - [ -0.0022833400000000, 0.0003476300000000, 0.0001117900000000 ] - [ 0.0027538700000000, -0.0123103800000000, 0.0093940300000000 ] - [ -0.0003908100000000, -0.0000640500000000, 0.0021188200000000 ] - [ -0.0041979200000000, -0.0001767100000000, -0.0048166500000000 ] - [ 0.0013178900000000, 0.0003079900000000, 0.0024042400000000 ] - [ -0.0007278500000000, 0.0004706400000000, 0.0016971300000000 ] - [ -0.0031882300000000, -0.0173408700000000, 0.0061285100000000 ] - [ 0.0007813400000000, -0.0008406600000000, 0.0025977800000000 ] - [ 0.0061206800000000, -0.0035018900000000, -0.0022733200000000 ] - [ -0.0008270100000000, -0.0010395000000000, 0.0014215800000000 ] - [ -0.0006253400000000, 0.0001734000000000, 0.0024754500000000 ] - [ 0.0008074900000000, -0.0001910800000000, -0.0021434900000000 ] - [ -0.0035452600000000, 0.0020668000000000, 0.0024617600000000 ] - [ 0.0001885400000000, 0.0003593400000000, 0.0024460500000000 ] - [ -0.0003435500000000, 0.0000974800000000, 0.0021180600000000 ] - [ 0.0043907400000000, -0.0000973400000000, 0.0114764800000000 ] - [ 0.0006995400000000, -0.0004443500000000, -0.0006348900000000 ] - [ -0.0000439400000000, 0.0001734100000000, -0.0009846200000000 ] - [ 0.0001679800000000, -0.0002137600000000, -0.0011882100000000 ] - [ -0.0006622000000000, -0.0000936100000000, -0.0011466800000000 ] - [ 0.0001960000000000, 0.0002273600000000, -0.0010768500000000 ] - [ -0.0010357700000000, 0.0041724400000000, 0.0021470900000000 ] - [ 0.0001123600000000, 0.0006312800000000, -0.0005989100000000 ] - [ -0.0010055200000000, 0.0036586500000000, 0.0029655800000000 ] - [ 0.0001298200000000, 0.0001457000000000, -0.0011022700000000 ] - [ -0.0010968900000000, -0.0004768400000000, 0.0027881600000000 ] - [ -0.0000012800000000, -0.0031775100000000, -0.0013382700000000 ] - [ 0.0021426800000000, -0.0019189800000000, 0.0008578800000000 ] - [ -0.0009750500000000, -0.0017696900000000, 0.0019113100000000 ] - [ -0.0004505200000000, 0.0004455400000000, -0.0010252500000000 ] - [ -0.0004153400000000, -0.0002667900000000, -0.0013541500000000 ] - [ -0.0001321700000000, 0.0003062000000000, -0.0008108100000000 ] - [ 0.0000795400000000, -0.0001475900000000, -0.0005184600000000 ] - [ 0.0000508100000000, 0.0002001000000000, -0.0008663000000000 ] - [ -0.0008088200000000, 0.0016730800000000, -0.0013827700000000 ] - [ 0.0003316200000000, 0.0001836800000000, -0.0001637700000000 ] - [ -0.0019359300000000, 0.0014553200000000, -0.0034040400000000 ] - [ 0.0004237100000000, 0.0029625400000000, -0.0023684800000000 ] - [ 0.0003328400000000, -0.0004866100000000, -0.0009705100000000 ] - [ 0.0018389300000000, 0.0005216100000000, -0.0009460700000000 ] - [ -0.0003932700000000, 0.0004711200000000, -0.0012812900000000 ] - [ 0.0026274700000000, 0.0027136600000000, -0.0018523300000000 ] - [ -0.0243431900000000, -0.0068988400000000, 0.0106851800000000 ] - [ -0.0000580700000000, -0.0001356200000000, -0.0013168600000000 ] - [ -0.0004929100000000, 0.0050977600000000, 0.0104485500000000 ] - [ 0.0031196600000000, -0.0002076900000000, -0.0029666000000000 ] - [ 0.0010688800000000, 0.0000926500000000, -0.0014098400000000 ] - [ -0.0012201200000000, -0.0005742900000000, 0.0008849500000000 ] - [ -0.0006337600000000, -0.0002502200000000, -0.0018721100000000 ] - [ 0.0005866000000000, -0.0000909700000000, -0.0001664000000000 ] - [ -0.0031548500000000, 0.0020769800000000, 0.0036716200000000 ] - [ -0.0003719100000000, 0.0007077200000000, -0.0003949800000000 ] - [ -0.0013300700000000, 0.0030159300000000, 0.0028668900000000 ] - [ 0.0006483800000000, -0.0001525100000000, -0.0009006200000000 ] - [ 0.0005972500000000, -0.0008324800000000, -0.0016018900000000 ] - [ -0.0002165900000000, -0.0001282300000000, -0.0009663900000000 ] - [ -0.0025493900000000, 0.0015555800000000, -0.0001410900000000 ] - [ 0.0003072100000000, -0.0000577700000000, -0.0010074100000000 ] - [ -0.0000623200000000, -0.0007139700000000, -0.0009990500000000 ] - [ -0.0000528900000000, -0.0003320100000000, -0.0013844100000000 ] - [ -0.0003084200000000, 0.0000536100000000, -0.0008950000000000 ] - [ -0.0004440900000000, 0.0005375600000000, 0.0025383400000000 ] - [ -0.0009017300000000, -0.0001242400000000, -0.0021438300000000 ] - [ 0.0020419000000000, -0.0002934500000000, 0.0021561700000000 ] - [ 0.0003537400000000, 0.0003191200000000, -0.0008826200000000 ] - [ 0.0021614900000000, 0.0005451000000000, 0.0020249200000000 ] - [ 0.0002195100000000, -0.0004757900000000, -0.0008687700000000 ] - [ -0.0003260000000000, 0.0001403200000000, -0.0008384700000000 ] - [ 0.0032200200000000, -0.0006379900000000, 0.0022500100000000 ] - [ 0.0031949700000000, -0.0028787000000000, -0.0018295100000000 ] - [ 0.0003791500000000, -0.0014699800000000, 0.0054801300000000 ] - [ 0.0007684300000000, -0.0003769600000000, -0.0008330600000000 ] - [ 0.0003639900000000, -0.0002597600000000, 0.0015020000000000 ] - [ 0.0001647900000000, -0.0003989700000000, -0.0002204700000000 ] - [ 0.0001999900000000, 0.0006085700000000, -0.0004926200000000 ] - [ 0.0001185100000000, 0.0006333800000000, -0.0011169700000000 ] - [ 0.0001458600000000, 0.0006164200000000, -0.0014229700000000 ] - [ -0.0006240600000000, 0.0006896000000000, 0.0017147900000000 ] - [ 0.0002856400000000, 0.0001882100000000, -0.0004195900000000 ] - [ 0.0046444800000000, -0.0020449400000000, 0.0033822900000000 ] - [ -0.0000092100000000, 0.0001288900000000, -0.0010828000000000 ] - [ 0.0001874100000000, 0.0010766300000000, -0.0015020400000000 ] - [ -0.0004580200000000, 0.0006489000000000, -0.0017813700000000 ] - [ 0.0009837300000000, 0.0001989600000000, 0.0021524300000000 ] - [ -0.0005724700000000, 0.0003363800000000, -0.0007309700000000 ] - [ 0.0004764600000000, -0.0003329300000000, -0.0009556400000000 ] - [ 0.0008881000000000, -0.0004902300000000, -0.0009109600000000 ]- atom: 15 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ 0.0007416100000000, -0.0000022200000000, 0.0050211500000000 ] - [ -0.0009193800000000, -0.0004385600000000, -0.0020483300000000 ] - [ 0.0014190600000000, -0.0007732900000000, 0.0021368200000000 ] - [ -0.0022705400000000, -0.0003531500000000, 0.0053940100000000 ] - [ 0.0006851600000000, 0.0001093600000000, -0.0008443000000000 ] - [ -0.0000921000000000, -0.0006016900000000, -0.0002270900000000 ] - [ -0.0013900700000000, -0.0013412600000000, 0.0000468600000000 ] - [ -0.0006898900000000, 0.0006054600000000, -0.0038540700000000 ] - [ -0.0001445600000000, 0.0007762000000000, -0.0012830200000000 ] - [ -0.0001134100000000, 0.0001234100000000, -0.0015935800000000 ] - [ -0.0016752600000000, 0.0001836700000000, -0.0007491100000000 ] - [ 0.0006390500000000, 0.0009280000000000, -0.0018520300000000 ] - [ -0.0003399300000000, 0.0003457100000000, -0.0016786600000000 ] - [ 0.0017285000000000, -0.0016172300000000, 0.0007772800000000 ] - [ -0.0351351100000000, -0.0126394300000000, 0.0489851300000000 ] - [ 0.0023296900000000, -0.0006408100000000, -0.0013116300000000 ] - [ 0.0005155700000000, 0.0005344000000000, -0.0009563900000000 ] - [ -0.0000608800000000, 0.0003651400000000, -0.0013186400000000 ] - [ -0.0002399800000000, 0.0002210900000000, -0.0014863200000000 ] - [ -0.0005492900000000, -0.0006807200000000, -0.0013136200000000 ] - [ 0.0039050300000000, 0.0068435100000000, -0.0039951200000000 ] - [ -0.0096226600000000, 0.0001173500000000, 0.0085065200000000 ] - [ 0.0016782100000000, -0.0039873500000000, 0.0109189000000000 ] - [ 0.0084634800000000, -0.0043221700000000, 0.0027192200000000 ] - [ -0.0008213200000000, 0.0011414800000000, -0.0009868200000000 ] - [ 0.0003963000000000, 0.0005945600000000, -0.0018748400000000 ] - [ -0.0002540000000000, 0.0006283100000000, 0.0003319900000000 ] - [ 0.0016541400000000, 0.0001128600000000, -0.0009442800000000 ] - [ 0.0002474600000000, 0.0001397000000000, -0.0016791100000000 ] - [ 0.0001808600000000, 0.0002158200000000, -0.0014102500000000 ] - [ -0.0002853200000000, 0.0004470700000000, -0.0016453700000000 ] - [ 0.0000492300000000, 0.0008152200000000, -0.0012996600000000 ] - [ 0.0201115000000000, -0.0092368400000000, -0.0084016800000000 ] - [ 0.0003514700000000, 0.0003009600000000, -0.0002730600000000 ] - [ -0.0028718200000000, 0.0126295000000000, -0.0084028500000000 ] - [ 0.0002057700000000, -0.0002507700000000, -0.0011187100000000 ] - [ 0.0025647100000000, 0.0020451200000000, 0.0031941100000000 ] - [ 0.0006097000000000, 0.0003407800000000, -0.0022481800000000 ] - [ -0.0000999200000000, 0.0003348500000000, -0.0023382100000000 ] - [ 0.0024247700000000, 0.0166043100000000, -0.0067642200000000 ] - [ 0.0008653400000000, -0.0010210100000000, -0.0009630200000000 ] - [ -0.0044528600000000, 0.0053581300000000, 0.0040084700000000 ] - [ -0.0008162100000000, -0.0008229000000000, -0.0030552500000000 ] - [ -0.0013058000000000, -0.0008275100000000, -0.0026302300000000 ] - [ 0.0011169500000000, -0.0004593900000000, 0.0022929300000000 ] - [ 0.0036972000000000, -0.0023565300000000, -0.0034410100000000 ] - [ 0.0006390100000000, 0.0004462700000000, -0.0018024600000000 ] - [ 0.0005337900000000, 0.0002210100000000, -0.0031170000000000 ] - [ -0.0046680200000000, -0.0004566900000000, -0.0113597200000000 ] - [ 0.0005023700000000, 0.0003434300000000, 0.0000469100000000 ] - [ 0.0007642500000000, -0.0000073500000000, 0.0020801100000000 ] - [ 0.0000350200000000, -0.0002931700000000, 0.0012045400000000 ] - [ -0.0000599500000000, -0.0000726000000000, 0.0000469600000000 ] - [ -0.0000347100000000, 0.0002314900000000, 0.0008183400000000 ] - [ 0.0015086200000000, -0.0043399500000000, -0.0023361900000000 ] - [ 0.0002639300000000, 0.0006737400000000, 0.0015164500000000 ] - [ 0.0009569700000000, -0.0042419700000000, -0.0031900600000000 ] - [ 0.0010740500000000, -0.0000391700000000, 0.0005063300000000 ] - [ 0.0012766900000000, 0.0009827500000000, -0.0027740200000000 ] - [ -0.0010034200000000, 0.0025162900000000, 0.0013040500000000 ] - [ -0.0014108100000000, 0.0017443200000000, 0.0002470400000000 ] - [ 0.0004592000000000, 0.0000385300000000, -0.0010182700000000 ] - [ -0.0002437700000000, -0.0003915700000000, 0.0006692200000000 ] - [ 0.0006141400000000, 0.0007950800000000, 0.0012212800000000 ] - [ -0.0003627100000000, 0.0002501400000000, 0.0006545300000000 ] - [ 0.0007323300000000, -0.0002202900000000, 0.0022627200000000 ] - [ 0.0000802500000000, 0.0003010600000000, 0.0011408900000000 ] - [ 0.0011850300000000, -0.0029975400000000, 0.0023020400000000 ] - [ -0.0007735000000000, 0.0001992300000000, -0.0009035400000000 ] - [ 0.0012206000000000, -0.0013005200000000, 0.0023329600000000 ] - [ 0.0005699200000000, -0.0023281400000000, 0.0023938800000000 ] - [ 0.0003601600000000, 0.0005406500000000, 0.0013263300000000 ] - [ -0.0013442100000000, 0.0000349000000000, 0.0011095700000000 ] - [ 0.0002577300000000, 0.0000276800000000, 0.0010045000000000 ] - [ -0.0030887700000000, -0.0021080700000000, 0.0019631200000000 ] - [ 0.0235957400000000, 0.0060529000000000, -0.0110158500000000 ] - [ -0.0000960500000000, 0.0005444200000000, 0.0004098300000000 ] - [ 0.0010228600000000, -0.0051520100000000, -0.0110961800000000 ] - [ -0.0030745100000000, -0.0003570000000000, 0.0032073900000000 ] - [ -0.0005262700000000, 0.0003833300000000, 0.0013976900000000 ] - [ 0.0007229600000000, 0.0000206900000000, -0.0010338600000000 ] - [ -0.0001785200000000, -0.0001178000000000, 0.0001282900000000 ] - [ -0.0007496000000000, -0.0003682600000000, 0.0004214000000000 ] - [ 0.0035036100000000, -0.0022554300000000, -0.0047112700000000 ] - [ -0.0001374100000000, 0.0010356900000000, 0.0013108400000000 ] - [ 0.0014595300000000, -0.0035167200000000, -0.0025831400000000 ] - [ -0.0001829200000000, -0.0004449700000000, 0.0007784900000000 ] - [ -0.0000640000000000, 0.0003515000000000, 0.0015974000000000 ] - [ -0.0003177700000000, 0.0006046100000000, 0.0009676500000000 ] - [ 0.0018658700000000, -0.0016257200000000, -0.0002345800000000 ] - [ -0.0002474100000000, 0.0006360600000000, 0.0012304900000000 ] - [ -0.0001322700000000, 0.0001850100000000, 0.0011316300000000 ] - [ -0.0001492500000000, -0.0001745600000000, 0.0013696500000000 ] - [ 0.0001442300000000, 0.0004055800000000, 0.0011519400000000 ] - [ 0.0002421300000000, -0.0000301500000000, -0.0025602400000000 ] - [ 0.0004567900000000, -0.0002597700000000, 0.0010743600000000 ] - [ -0.0013553300000000, 0.0002361800000000, -0.0018015200000000 ] - [ 0.0001219800000000, -0.0001634400000000, 0.0006894000000000 ] - [ -0.0013559300000000, -0.0001757900000000, -0.0002859300000000 ] - [ -0.0006815300000000, -0.0001234000000000, 0.0009882600000000 ] - [ 0.0007738700000000, 0.0002440500000000, 0.0019086100000000 ] - [ -0.0027204300000000, -0.0011068500000000, -0.0031741600000000 ] - [ -0.0030278800000000, 0.0024624100000000, 0.0027289000000000 ] - [ -0.0011378100000000, 0.0015998300000000, -0.0071456500000000 ] - [ -0.0012373100000000, 0.0005285800000000, 0.0010228700000000 ] - [ -0.0005563300000000, 0.0007867900000000, -0.0013671800000000 ] - [ -0.0002975300000000, -0.0001038500000000, -0.0000569600000000 ] - [ -0.0000439800000000, -0.0001978900000000, 0.0013983700000000 ] - [ -0.0001758300000000, -0.0000529600000000, 0.0008921500000000 ] - [ -0.0006220500000000, -0.0007750700000000, 0.0016184500000000 ] - [ 0.0010726600000000, -0.0010756700000000, -0.0006449100000000 ] - [ -0.0000902400000000, -0.0007207300000000, 0.0002898200000000 ] - [ -0.0050284700000000, 0.0007499100000000, -0.0043093600000000 ] - [ -0.0010003400000000, 0.0004970400000000, 0.0010571700000000 ] - [ 0.0003218100000000, 0.0006681600000000, 0.0005850200000000 ] - [ 0.0000825100000000, 0.0006568800000000, 0.0008615600000000 ] - [ -0.0021851400000000, -0.0000907800000000, -0.0015585400000000 ] - [ -0.0006280900000000, -0.0004409100000000, 0.0013222800000000 ] - [ 0.0000199400000000, -0.0002223800000000, 0.0011089500000000 ] - [ 0.0001190600000000, -0.0001361500000000, 0.0009352400000000 ]- atom: 33 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ 0.0007528900000000, -0.0121554600000000, 0.0120476700000000 ] - [ -0.0027034400000000, 0.0022087000000000, 0.0013573100000000 ] - [ 0.0049620900000000, -0.0013954800000000, 0.0009718600000000 ] - [ -0.0034276100000000, 0.0012246400000000, -0.0027603900000000 ] - [ 0.0007975900000000, 0.0004366000000000, 0.0002078700000000 ] - [ 0.0004896200000000, -0.0003828600000000, 0.0000057500000000 ] - [ 0.0045807800000000, -0.0002215300000000, 0.0023759600000000 ] - [ -0.0071128600000000, -0.0014517700000000, 0.0020435600000000 ] - [ -0.0001715700000000, 0.0008347300000000, -0.0000952200000000 ] - [ -0.0003216200000000, -0.0000988700000000, -0.0001766700000000 ] - [ -0.0009082900000000, 0.0005115900000000, 0.0002874900000000 ] - [ 0.0003072700000000, 0.0004669100000000, -0.0003203100000000 ] - [ 0.0002828900000000, 0.0004937400000000, -0.0001696600000000 ] - [ 0.0015523500000000, 0.0010076100000000, 0.0002133800000000 ] - [ 0.0015981300000000, -0.0210003500000000, -0.0216216100000000 ] - [ 0.0030322700000000, 0.0081528900000000, -0.0091336500000000 ] - [ 0.0007795500000000, 0.0001452900000000, -0.0000116900000000 ] - [ -0.0001881200000000, 0.0003474400000000, -0.0000753300000000 ] - [ 0.0003045500000000, 0.0001100500000000, 0.0000273600000000 ] - [ -0.0004078600000000, -0.0001785700000000, 0.0001626500000000 ] - [ 0.0017553100000000, 0.0000869700000000, -0.0048744300000000 ] - [ 0.0303431800000000, 0.0084365200000000, -0.0062393700000000 ] - [ -0.0013745600000000, 0.0118628600000000, 0.0117867200000000 ] - [ 0.0054486100000000, -0.0010085100000000, 0.0017089800000000 ] - [ -0.0007716700000000, 0.0005395000000000, 0.0003646300000000 ] - [ -0.0008676000000000, 0.0004570700000000, -0.0009427400000000 ] - [ 0.0045125800000000, -0.0003053400000000, 0.0019037300000000 ] - [ -0.0022050100000000, -0.0107503400000000, -0.0039103400000000 ] - [ -0.0000231500000000, 0.0004542000000000, -0.0003466700000000 ] - [ 0.0001137400000000, 0.0002960300000000, -0.0005723000000000 ] - [ -0.0002868800000000, 0.0004297900000000, -0.0006989100000000 ] - [ 0.0000733000000000, 0.0007617000000000, -0.0002196200000000 ] - [ -0.3846361800000000, 0.0181885600000000, -0.0060987500000000 ] - [ 0.0025205300000000, 0.0005565500000000, 0.0035674200000000 ] - [ -0.0030156900000000, 0.0030308200000000, -0.0009832300000000 ] - [ 0.0020171800000000, -0.0002000700000000, -0.0008370500000000 ] - [ 0.0346700500000000, 0.0039176400000000, 0.0068841400000000 ] - [ 0.0013291900000000, 0.0003544300000000, 0.0007512000000000 ] - [ -0.0002015900000000, 0.0003979500000000, -0.0005233800000000 ] - [ -0.0016838100000000, -0.0012686400000000, 0.0014288000000000 ] - [ 0.0007132300000000, -0.0009072500000000, 0.0007427400000000 ] - [ 0.0038342900000000, 0.0018537000000000, -0.0002187800000000 ] - [ -0.0010142000000000, -0.0008973300000000, -0.0009757200000000 ] - [ -0.0011851400000000, 0.0001051400000000, 0.0046821200000000 ] - [ 0.0008325300000000, -0.0005943000000000, 0.0013638000000000 ] - [ 0.0005266000000000, -0.0000503600000000, -0.0024153700000000 ] - [ 0.0006608800000000, 0.0003896500000000, 0.0001452100000000 ] - [ -0.0008151300000000, 0.0013866500000000, -0.0016287700000000 ] - [ 0.0058396600000000, -0.0016243500000000, 0.0029121000000000 ] - [ 0.0000873800000000, -0.0005267300000000, -0.0012693100000000 ] - [ 0.0006869800000000, -0.0002050100000000, 0.0006737000000000 ] - [ 0.0002525600000000, -0.0002640000000000, 0.0000435400000000 ] - [ -0.0020250500000000, -0.0001704100000000, -0.0001708400000000 ] - [ 0.0002751900000000, 0.0002679800000000, 0.0000085200000000 ] - [ 0.0039060500000000, -0.0003053200000000, -0.0016348500000000 ] - [ 0.0000540400000000, 0.0006457400000000, 0.0005296300000000 ] - [ 0.0046932600000000, 0.0017098200000000, 0.0002977000000000 ] - [ 0.0010080800000000, -0.0007941500000000, -0.0022481100000000 ] - [ -0.0033190200000000, -0.0005863600000000, 0.0005787300000000 ] - [ -0.0002420700000000, -0.0003408100000000, 0.0010073400000000 ] - [ -0.0004467500000000, 0.0000930900000000, 0.0016470500000000 ] - [ -0.0026472700000000, -0.0051087300000000, -0.0012674200000000 ] - [ -0.0002397900000000, 0.0000755400000000, -0.0002197800000000 ] - [ 0.0009504300000000, 0.0010801900000000, -0.0025425100000000 ] - [ -0.0007789200000000, 0.0002101000000000, 0.0000185700000000 ] - [ 0.0004894600000000, -0.0001764000000000, 0.0010865800000000 ] - [ 0.0002628600000000, 0.0002183200000000, 0.0003934900000000 ] - [ 0.0020259400000000, -0.0007052800000000, -0.0006991000000000 ] - [ -0.0007674900000000, 0.0001988500000000, -0.0010300300000000 ] - [ 0.0007433400000000, -0.0004292800000000, 0.0001669000000000 ] - [ 0.0017606700000000, -0.0000526800000000, 0.0008122500000000 ] - [ 0.0004468600000000, 0.0000630400000000, 0.0002134000000000 ] - [ -0.0025931000000000, 0.0001884700000000, 0.0008008700000000 ] - [ 0.0001841100000000, 0.0002193400000000, 0.0000354400000000 ] - [ 0.0013929800000000, 0.0002435100000000, 0.0000504400000000 ] - [ -0.0105679700000000, 0.0020528500000000, 0.0054470600000000 ] - [ -0.0001771600000000, 0.0002539900000000, -0.0003575000000000 ] - [ 0.1811104200000000, -0.0248312700000000, -0.0518676300000000 ] - [ 0.0441290600000000, 0.0263245200000000, -0.0251596100000000 ] - [ 0.0000290000000000, 0.0000189700000000, 0.0006606300000000 ] - [ 0.0004651900000000, -0.0002093900000000, -0.0004449000000000 ] - [ -0.0003876600000000, -0.0002020400000000, -0.0007658900000000 ] - [ -0.0026871500000000, 0.0012356500000000, 0.0003437400000000 ] - [ 0.0083521100000000, 0.0002824000000000, -0.0005969700000000 ] - [ -0.0001788300000000, 0.0008314200000000, 0.0004374600000000 ] - [ -0.0048486900000000, -0.0037027800000000, 0.0039307200000000 ] - [ 0.0000682600000000, -0.0003182100000000, 0.0000403600000000 ] - [ 0.0000755700000000, -0.0008576000000000, -0.0006948200000000 ] - [ -0.0007733200000000, 0.0004931000000000, 0.0004008000000000 ] - [ -0.0021808300000000, 0.0008165800000000, -0.0017277000000000 ] - [ -0.0001772800000000, 0.0003600900000000, 0.0002919100000000 ] - [ -0.0001140200000000, -0.0001697000000000, -0.0001111700000000 ] - [ 0.0000599300000000, -0.0002304800000000, 0.0000903900000000 ] - [ 0.0001418300000000, 0.0002232900000000, 0.0002959100000000 ] - [ -0.0134849100000000, 0.0004798900000000, -0.0009881400000000 ] - [ 0.0000510800000000, -0.0002570900000000, -0.0011251700000000 ] - [ -0.0071395300000000, 0.0020690600000000, -0.0027849300000000 ] - [ -0.0003250900000000, -0.0001329000000000, 0.0002586500000000 ] - [ -0.0155834900000000, 0.0022893900000000, 0.0039459700000000 ] - [ -0.0003477800000000, -0.0002628900000000, 0.0002034400000000 ] - [ -0.0002962500000000, 0.0001065000000000, -0.0002286500000000 ] - [ -0.0070959100000000, -0.0047368100000000, -0.0026579700000000 ] - [ 0.0362352200000000, -0.0114109600000000, -0.0030929500000000 ] - [ 0.0001008000000000, 0.0026743000000000, -0.0005990300000000 ] - [ -0.0005651300000000, 0.0002026800000000, 0.0008582700000000 ] - [ -0.0004291100000000, 0.0013376200000000, -0.0008793800000000 ] - [ -0.0020727600000000, -0.0014273800000000, 0.0004333200000000 ] - [ -0.0000979200000000, 0.0001644500000000, 0.0005382300000000 ] - [ -0.0001499500000000, 0.0002332700000000, 0.0000272200000000 ] - [ -0.0012544700000000, -0.0010809700000000, 0.0013602400000000 ] - [ -0.0024824700000000, -0.0004962900000000, -0.0061601100000000 ] - [ -0.0004374800000000, 0.0002420200000000, -0.0011713900000000 ] - [ 0.0963462800000000, -0.0033600200000000, 0.0916801400000000 ] - [ -0.0007374600000000, 0.0000231500000000, 0.0004635700000000 ] - [ 0.0003237700000000, 0.0008548300000000, -0.0004042400000000 ] - [ -0.0002931700000000, 0.0006635700000000, -0.0004450000000000 ] - [ -0.0010979900000000, -0.0007254800000000, -0.0005274800000000 ] - [ -0.0005846400000000, -0.0001872900000000, 0.0001255800000000 ] - [ 0.0017673900000000, -0.0001046800000000, -0.0005010700000000 ] - [ -0.0001570900000000, -0.0000327400000000, 0.0020833900000000 ]- atom: 33 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ -0.0009412500000000, 0.0116890100000000, -0.0120987000000000 ] - [ 0.0029894500000000, -0.0029018100000000, -0.0008356400000000 ] - [ -0.0044232900000000, 0.0004123200000000, -0.0015236700000000 ] - [ 0.0027311000000000, -0.0020612300000000, 0.0021617300000000 ] - [ -0.0005766800000000, 0.0002727700000000, 0.0002890700000000 ] - [ -0.0007819300000000, -0.0008080600000000, 0.0009690700000000 ] - [ -0.0050951600000000, -0.0007091800000000, -0.0018194300000000 ] - [ 0.0073454900000000, 0.0009351400000000, -0.0019286800000000 ] - [ -0.0000479000000000, 0.0008043100000000, 0.0002499900000000 ] - [ 0.0001791500000000, -0.0002042900000000, -0.0001376000000000 ] - [ 0.0006200000000000, 0.0006797900000000, 0.0007129300000000 ] - [ 0.0004210800000000, 0.0003779300000000, 0.0009087300000000 ] - [ -0.0004954600000000, 0.0002176500000000, -0.0003253400000000 ] - [ -0.0017880500000000, -0.0026293000000000, -0.0000480500000000 ] - [ -0.0013775600000000, 0.0204207300000000, 0.0210538200000000 ] - [ -0.0024063500000000, -0.0088852500000000, 0.0096036300000000 ] - [ -0.0006384400000000, 0.0003564900000000, 0.0000724400000000 ] - [ -0.0000491800000000, 0.0002825200000000, 0.0007046400000000 ] - [ -0.0004524800000000, 0.0003887400000000, -0.0001169600000000 ] - [ 0.0005508800000000, -0.0001272500000000, 0.0001362300000000 ] - [ -0.0014621800000000, -0.0012634900000000, 0.0038825100000000 ] - [ -0.0302411100000000, -0.0100471800000000, 0.0062180200000000 ] - [ 0.0011199600000000, -0.0126075500000000, -0.0122734400000000 ] - [ -0.0055678900000000, 0.0013124900000000, -0.0019694200000000 ] - [ 0.0002447000000000, 0.0004204800000000, 0.0002122200000000 ] - [ 0.0011433300000000, 0.0007354700000000, -0.0000640200000000 ] - [ -0.0043370500000000, 0.0005816600000000, -0.0016148600000000 ] - [ 0.0018745200000000, 0.0099543900000000, 0.0044868300000000 ] - [ 0.0005600800000000, 0.0005038300000000, -0.0002348100000000 ] - [ 0.0001212800000000, 0.0003339100000000, -0.0000683900000000 ] - [ -0.0004431500000000, 0.0004193400000000, 0.0000986200000000 ] - [ 0.0001475600000000, 0.0008800500000000, 0.0000540600000000 ] - [ 0.3951518000000000, -0.0221160300000000, -0.0036661800000000 ] - [ -0.0044647900000000, 0.0000902400000000, -0.0037340300000000 ] - [ 0.0028417300000000, -0.0027245100000000, 0.0019631200000000 ] - [ -0.0022067700000000, -0.0001136000000000, 0.0017846900000000 ] - [ -0.0359534700000000, -0.0019845000000000, -0.0081938500000000 ] - [ 0.0006251600000000, 0.0002919900000000, -0.0005966000000000 ] - [ -0.0006285500000000, 0.0004078600000000, -0.0001291700000000 ] - [ 0.0008125900000000, 0.0004778800000000, -0.0020831500000000 ] - [ 0.0009339600000000, -0.0009543800000000, 0.0008841800000000 ] - [ -0.0021435300000000, -0.0000226300000000, 0.0018882900000000 ] - [ -0.0006303500000000, -0.0009640600000000, -0.0006667500000000 ] - [ -0.0006976200000000, -0.0007579800000000, -0.0048654400000000 ] - [ 0.0010983000000000, -0.0000556800000000, -0.0012007000000000 ] - [ -0.0003362600000000, -0.0002645100000000, 0.0014217800000000 ] - [ 0.0001715600000000, 0.0004160400000000, 0.0004865700000000 ] - [ 0.0009916300000000, -0.0010775000000000, 0.0006362600000000 ] - [ -0.0063890400000000, 0.0011569100000000, -0.0028915500000000 ] - [ 0.0011139800000000, 0.0004357100000000, 0.0006914200000000 ] - [ 0.0000328200000000, 0.0003762400000000, 0.0004157600000000 ] - [ -0.0000533000000000, -0.0002424200000000, -0.0000290100000000 ] - [ 0.0012910200000000, -0.0000013500000000, -0.0008927100000000 ] - [ -0.0001117000000000, 0.0001956300000000, -0.0002662300000000 ] - [ -0.0034439600000000, 0.0001432300000000, 0.0014635100000000 ] - [ 0.0003205200000000, 0.0006631700000000, 0.0003953200000000 ] - [ -0.0047530500000000, -0.0022919500000000, -0.0005059900000000 ] - [ 0.0001586800000000, 0.0009040800000000, 0.0016721200000000 ] - [ 0.0035035900000000, 0.0010928800000000, -0.0005764000000000 ] - [ -0.0007668700000000, -0.0002926600000000, -0.0010333400000000 ] - [ 0.0011692700000000, -0.0002566200000000, -0.0005542400000000 ] - [ 0.0021315600000000, 0.0034114100000000, 0.0021762700000000 ] - [ -0.0004542100000000, -0.0000270800000000, -0.0001296900000000 ] - [ -0.0007851400000000, -0.0005596500000000, 0.0024261900000000 ] - [ 0.0002608800000000, 0.0003481600000000, -0.0001640200000000 ] - [ 0.0003258700000000, -0.0001908200000000, 0.0006636700000000 ] - [ -0.0001260700000000, 0.0002762500000000, -0.0001180000000000 ] - [ -0.0016763500000000, -0.0006061200000000, 0.0016201000000000 ] - [ 0.0003229500000000, 0.0001865500000000, -0.0000451200000000 ] - [ -0.0014647100000000, 0.0005980900000000, -0.0012573200000000 ] - [ -0.0007665000000000, 0.0006829900000000, -0.0007862100000000 ] - [ 0.0002473000000000, -0.0000110800000000, 0.0001421700000000 ] - [ 0.0031125900000000, 0.0003684300000000, -0.0006445100000000 ] - [ -0.0003166700000000, 0.0002745600000000, -0.0003051300000000 ] - [ -0.0017958200000000, 0.0003559000000000, 0.0000563900000000 ] - [ 0.0106496800000000, -0.0024962600000000, -0.0056840600000000 ] - [ 0.0000212800000000, 0.0001573800000000, -0.0005487100000000 ] - [ -0.1912214700000000, 0.0280141500000000, 0.0565140600000000 ] - [ -0.0446637000000000, -0.0271578100000000, 0.0257116000000000 ] - [ 0.0005104200000000, 0.0004581900000000, -0.0006690300000000 ] - [ -0.0009647500000000, -0.0003482700000000, 0.0002918000000000 ] - [ -0.0004249900000000, -0.0001659300000000, -0.0009796800000000 ] - [ 0.0025170200000000, -0.0016628100000000, -0.0000713600000000 ] - [ -0.0085114300000000, -0.0007107300000000, -0.0003047600000000 ] - [ -0.0003278600000000, 0.0009111200000000, 0.0004853600000000 ] - [ 0.0049526700000000, 0.0031971700000000, -0.0036715900000000 ] - [ 0.0003878400000000, -0.0002794100000000, -0.0001589800000000 ] - [ 0.0004883400000000, 0.0003783800000000, 0.0006665400000000 ] - [ 0.0002372300000000, -0.0000122600000000, -0.0003801400000000 ] - [ 0.0014698700000000, -0.0008797000000000, 0.0013654900000000 ] - [ 0.0002356100000000, 0.0002170600000000, -0.0000633200000000 ] - [ -0.0000863100000000, -0.0003614800000000, 0.0002461900000000 ] - [ -0.0002622600000000, -0.0002758500000000, -0.0000977200000000 ] - [ -0.0003037700000000, 0.0002391200000000, -0.0000338500000000 ] - [ 0.0132170400000000, 0.0000207000000000, 0.0009438300000000 ] - [ -0.0005072000000000, -0.0001270800000000, 0.0000485100000000 ] - [ 0.0078146900000000, -0.0020867400000000, 0.0030581600000000 ] - [ 0.0008016500000000, 0.0002798100000000, -0.0004354600000000 ] - [ 0.0160695200000000, -0.0018878700000000, -0.0021525500000000 ] - [ -0.0001105700000000, -0.0003336000000000, -0.0000792600000000 ] - [ 0.0007333400000000, 0.0002791000000000, 0.0013041600000000 ] - [ 0.0075636000000000, 0.0029412100000000, 0.0016737800000000 ] - [ -0.0363513100000000, 0.0118248100000000, 0.0045302600000000 ] - [ -0.0009383500000000, -0.0022926100000000, -0.0011586600000000 ] - [ 0.0000889700000000, -0.0000502300000000, -0.0006714300000000 ] - [ 0.0002486900000000, -0.0008003600000000, 0.0009983900000000 ] - [ 0.0019404000000000, 0.0009054100000000, -0.0006905000000000 ] - [ 0.0002570600000000, 0.0002440900000000, 0.0003752400000000 ] - [ 0.0000931700000000, 0.0003411900000000, -0.0002477100000000 ] - [ 0.0007948800000000, 0.0009413100000000, -0.0012047000000000 ] - [ 0.0029562600000000, 0.0001125400000000, 0.0072724200000000 ] - [ 0.0006359200000000, -0.0007854700000000, 0.0010529700000000 ] - [ -0.0946451900000000, 0.0018815700000000, -0.0881466300000000 ] - [ -0.0002421300000000, 0.0006075900000000, -0.0004896500000000 ] - [ 0.0001850900000000, 0.0008865200000000, -0.0005122200000000 ] - [ -0.0000775300000000, 0.0006454600000000, -0.0004712800000000 ] - [ -0.0000899500000000, 0.0008285600000000, 0.0011068000000000 ] - [ -0.0006178100000000, 0.0000853400000000, 0.0004670900000000 ] - [ -0.0012793400000000, -0.0004546900000000, 0.0006374900000000 ] - [ 0.0011791300000000, -0.0006021200000000, -0.0020348300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0044147100000000, -0.0020012300000000, -0.0052594900000000 ] - [ 0.0121957600000000, 0.0188659600000000, 0.0156604200000000 ] - [ -0.0002628400000000, -0.0005211700000000, -0.0006639200000000 ] - [ 0.0024367900000000, 0.0000428600000000, -0.0024121500000000 ] - [ 0.0001105800000000, 0.0003765000000000, 0.0003208400000000 ] - [ -0.0002911600000000, 0.0010695500000000, 0.0004212600000000 ] - [ -0.0012752800000000, -0.0012394700000000, 0.0006536500000000 ] - [ -0.0115858900000000, 0.0172006500000000, -0.0119318200000000 ] - [ -0.0000925700000000, 0.0008295100000000, 0.0001603300000000 ] - [ -0.0001307300000000, -0.0001984800000000, 0.0001046000000000 ] - [ -0.0001692400000000, 0.0006970600000000, 0.0005074700000000 ] - [ 0.0003766500000000, 0.0003726700000000, 0.0004212800000000 ] - [ 0.0000959600000000, 0.0002917900000000, -0.0000744000000000 ] - [ -0.0004045100000000, 0.0018350400000000, 0.0008026100000000 ] - [ -0.0072932200000000, 0.0028863500000000, 0.0057814100000000 ] - [ 0.0183286700000000, -0.0017338000000000, -0.0123991600000000 ] - [ 0.0000004000000000, 0.0002840800000000, 0.0000781900000000 ] - [ -0.0001190600000000, 0.0003170400000000, 0.0003969400000000 ] - [ 0.0000673400000000, 0.0002006700000000, -0.0000579600000000 ] - [ 0.0000772700000000, -0.0001348600000000, 0.0002507500000000 ] - [ -0.0001533100000000, -0.0008364600000000, 0.0000215100000000 ] - [ -0.0025088400000000, -0.0048105900000000, -0.0009761600000000 ] - [ 0.0048489600000000, -0.0042376900000000, 0.0043646100000000 ] - [ -0.0004387600000000, 0.0006503000000000, -0.0003102800000000 ] - [ -0.0002001300000000, 0.0004201400000000, 0.0003260000000000 ] - [ -0.0004207700000000, -0.0000710400000000, -0.0009398300000000 ] - [ 0.0013528800000000, -0.0007263800000000, -0.0003897200000000 ] - [ -0.0217640300000000, 0.0101045700000000, 0.0082184900000000 ] - [ 0.0002047000000000, 0.0006928600000000, -0.0003102300000000 ] - [ 0.0000322900000000, 0.0002484200000000, -0.0003091600000000 ] - [ -0.0002877500000000, 0.0006823700000000, -0.0002783100000000 ] - [ 0.0000959000000000, 0.0007690100000000, -0.0000776100000000 ] - [ 0.0195052200000000, -0.4230642900000000, 0.0026144900000000 ] - [ -0.0012112200000000, -0.0002335600000000, -0.0002159900000000 ] - [ 0.0003119800000000, -0.0019173900000000, 0.0009971500000000 ] - [ 0.0013073600000000, -0.0004579900000000, 0.0006250600000000 ] - [ -0.0037938600000000, -0.0014760900000000, -0.0030759600000000 ] - [ 0.0012151200000000, 0.0010258600000000, 0.0006237900000000 ] - [ -0.0004217900000000, 0.0003862500000000, -0.0002185700000000 ] - [ 0.0004794700000000, 0.0340407200000000, -0.0055179100000000 ] - [ 0.0007805800000000, -0.0008622300000000, 0.0009312800000000 ] - [ 0.0008650400000000, 0.0058519300000000, 0.0006143400000000 ] - [ -0.0008200100000000, -0.0009496200000000, -0.0006809200000000 ] - [ -0.0009373200000000, -0.0093778500000000, 0.0005878900000000 ] - [ 0.0010475700000000, 0.0005957200000000, 0.0000706000000000 ] - [ 0.0002818200000000, -0.0001297100000000, -0.0002485500000000 ] - [ 0.0004289600000000, 0.0003825200000000, 0.0003986200000000 ] - [ 0.0009465000000000, 0.0118112600000000, 0.0009684900000000 ] - [ -0.0009405500000000, 0.0010770200000000, -0.0014052300000000 ] - [ 0.0006089400000000, -0.0000742100000000, -0.0004165000000000 ] - [ 0.0001348800000000, -0.0023288700000000, 0.0001791300000000 ] - [ 0.0001192000000000, -0.0002152000000000, -0.0001167700000000 ] - [ -0.0007088900000000, 0.0011645900000000, -0.0008204200000000 ] - [ 0.0001519200000000, 0.0003133100000000, -0.0001641900000000 ] - [ 0.0001300400000000, 0.0011744900000000, 0.0006842000000000 ] - [ 0.0001892300000000, 0.0006529100000000, 0.0004099600000000 ] - [ 0.0007757300000000, -0.0102260700000000, 0.0049123500000000 ] - [ -0.0045405100000000, 0.0035935900000000, -0.0049245200000000 ] - [ 0.0003829100000000, -0.0006099800000000, 0.0002811800000000 ] - [ -0.0007159300000000, -0.0005150500000000, 0.0001034600000000 ] - [ 0.0003883500000000, -0.0002319600000000, 0.0004010000000000 ] - [ -0.0023634600000000, -0.0024485800000000, 0.0019702900000000 ] - [ -0.0003437100000000, 0.0000288500000000, -0.0002234700000000 ] - [ 0.0041000500000000, 0.0037708800000000, 0.0036666300000000 ] - [ -0.0003831200000000, -0.0000138300000000, -0.0001891000000000 ] - [ 0.0003776700000000, -0.0001799100000000, 0.0007865200000000 ] - [ 0.0001686500000000, 0.0001890400000000, 0.0003062900000000 ] - [ -0.0000649900000000, -0.0142091400000000, 0.0008882400000000 ] - [ -0.0002093000000000, 0.0000682000000000, -0.0005511000000000 ] - [ -0.0005294800000000, 0.0005035800000000, -0.0007417600000000 ] - [ 0.0004388800000000, 0.0006403800000000, -0.0001869800000000 ] - [ 0.0003763100000000, 0.0000083600000000, 0.0000930800000000 ] - [ 0.0004399000000000, 0.0003589900000000, 0.0000035000000000 ] - [ -0.0000803200000000, 0.0002676300000000, -0.0001752400000000 ] - [ 0.0009145300000000, -0.0090558400000000, 0.0028666700000000 ] - [ 0.0007361400000000, -0.0013709000000000, -0.0006192500000000 ] - [ -0.0001009700000000, 0.0002261100000000, -0.0004664400000000 ] - [ -0.0287028300000000, 0.0408522900000000, 0.0135823700000000 ] - [ 0.0243700400000000, 0.1366281300000000, -0.0935301000000000 ] - [ 0.0002285900000000, 0.0002119800000000, -0.0000596300000000 ] - [ -0.0002575800000000, -0.0006568600000000, -0.0001489800000000 ] - [ -0.0004151500000000, -0.0001816100000000, -0.0009569900000000 ] - [ 0.0005665800000000, -0.0009858500000000, 0.0000393000000000 ] - [ -0.0014183600000000, -0.0134164300000000, -0.0044835200000000 ] - [ -0.0002507700000000, 0.0008158400000000, 0.0004279400000000 ] - [ 0.0008423500000000, 0.0009505200000000, -0.0004457600000000 ] - [ 0.0002421900000000, -0.0002853000000000, -0.0000763200000000 ] - [ 0.0022039200000000, -0.0091047600000000, -0.0086542500000000 ] - [ -0.0006707600000000, 0.0005797600000000, 0.0002527000000000 ] - [ 0.0004104800000000, -0.0020669800000000, -0.0010143300000000 ] - [ 0.0000507300000000, 0.0002717300000000, 0.0000548100000000 ] - [ -0.0001565800000000, -0.0005598100000000, 0.0000111100000000 ] - [ -0.0000808300000000, -0.0002542000000000, -0.0000866600000000 ] - [ -0.0000836000000000, 0.0002110400000000, 0.0000726600000000 ] - [ 0.0027107000000000, 0.0006067600000000, 0.0007378900000000 ] - [ -0.0003878800000000, -0.0015300200000000, -0.0008122800000000 ] - [ 0.0000969700000000, 0.0005119700000000, 0.0006359300000000 ] - [ 0.0000380000000000, -0.0000293800000000, 0.0000472900000000 ] - [ 0.0044365900000000, 0.0129791600000000, 0.0006438700000000 ] - [ -0.0002238600000000, -0.0003071100000000, 0.0000164000000000 ] - [ 0.0000464500000000, 0.0013817300000000, 0.0003030300000000 ] - [ 0.0002284900000000, 0.0009241300000000, -0.0005559300000000 ] - [ -0.0045648400000000, 0.1766917600000000, 0.0835892400000000 ] - [ 0.0000743100000000, -0.0019855800000000, -0.0006068500000000 ] - [ -0.0002368200000000, 0.0000826200000000, 0.0000088000000000 ] - [ 0.0004830900000000, -0.0001581900000000, 0.0005319900000000 ] - [ -0.0022522000000000, -0.0011947000000000, 0.0001259300000000 ] - [ 0.0000766100000000, 0.0002195700000000, 0.0004113500000000 ] - [ -0.0000195700000000, 0.0002698900000000, -0.0001564500000000 ] - [ -0.0014054300000000, -0.0092151000000000, 0.0066683300000000 ] - [ 0.0003916600000000, -0.0008471900000000, 0.0010807700000000 ] - [ 0.0001740600000000, -0.0003328400000000, 0.0001509600000000 ] - [ -0.0019822400000000, 0.0353747700000000, -0.0041534000000000 ] - [ -0.0003023200000000, -0.0020187200000000, -0.0005962900000000 ] - [ 0.0002475800000000, 0.0009049000000000, -0.0005290500000000 ] - [ -0.0002293500000000, 0.0006228700000000, -0.0005170300000000 ] - [ -0.0012567300000000, -0.0002275900000000, -0.0000388100000000 ] - [ -0.0006079700000000, -0.0001546600000000, 0.0000338400000000 ] - [ 0.0007329700000000, 0.0027917300000000, -0.0004563100000000 ] - [ -0.0009955400000000, 0.0011196400000000, 0.0013269700000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0043219400000000, 0.0016015900000000, 0.0052383000000000 ] - [ -0.0119614200000000, -0.0196205100000000, -0.0152975500000000 ] - [ 0.0007956000000000, -0.0004240800000000, 0.0000741800000000 ] - [ -0.0032228200000000, -0.0008603900000000, 0.0018686500000000 ] - [ 0.0001136200000000, 0.0003314500000000, 0.0001896700000000 ] - [ -0.0000096000000000, -0.0022654300000000, 0.0005687600000000 ] - [ 0.0007392600000000, 0.0002636100000000, -0.0000753900000000 ] - [ 0.0117177500000000, -0.0176814300000000, 0.0118637300000000 ] - [ -0.0001269400000000, 0.0008086100000000, 0.0000066200000000 ] - [ -0.0000066500000000, -0.0001092300000000, -0.0004094200000000 ] - [ -0.0001284800000000, 0.0004906100000000, 0.0005118400000000 ] - [ 0.0003490000000000, 0.0004714200000000, 0.0001799500000000 ] - [ -0.0003151300000000, 0.0004210400000000, -0.0004065300000000 ] - [ 0.0002182400000000, -0.0035014800000000, -0.0006641100000000 ] - [ 0.0074286300000000, -0.0036174600000000, -0.0063516800000000 ] - [ -0.0175988100000000, 0.0008780600000000, 0.0129556000000000 ] - [ 0.0001438600000000, 0.0002151900000000, -0.0000033600000000 ] - [ -0.0001179500000000, 0.0003105400000000, 0.0002409100000000 ] - [ -0.0002217300000000, 0.0002960400000000, -0.0000170900000000 ] - [ 0.0000622900000000, -0.0001698400000000, 0.0000656900000000 ] - [ 0.0004456200000000, -0.0003511400000000, -0.0010284700000000 ] - [ 0.0027662500000000, 0.0032255500000000, 0.0008020900000000 ] - [ -0.0050210800000000, 0.0033987100000000, -0.0048016900000000 ] - [ 0.0003040200000000, -0.0003616300000000, -0.0000011500000000 ] - [ -0.0003292600000000, 0.0005376200000000, 0.0002675500000000 ] - [ 0.0007138500000000, 0.0012616700000000, -0.0000554000000000 ] - [ -0.0012168800000000, 0.0010450000000000, 0.0006957200000000 ] - [ 0.0216117800000000, -0.0107523800000000, -0.0076999800000000 ] - [ 0.0003355600000000, 0.0002669400000000, -0.0002624500000000 ] - [ 0.0002024000000000, 0.0003823600000000, -0.0003146200000000 ] - [ -0.0004414000000000, 0.0001630600000000, -0.0003048700000000 ] - [ 0.0001236800000000, 0.0008714500000000, -0.0000746000000000 ] - [ -0.0207113800000000, 0.4278899900000000, 0.0116293300000000 ] - [ -0.0007214400000000, 0.0008791200000000, 0.0000649400000000 ] - [ -0.0004991000000000, 0.0022383200000000, -0.0000018500000000 ] - [ -0.0015082600000000, 0.0001402300000000, 0.0003727100000000 ] - [ 0.0020562100000000, 0.0033209100000000, 0.0014226700000000 ] - [ 0.0007182800000000, -0.0003777000000000, -0.0004778800000000 ] - [ -0.0004075700000000, 0.0004162800000000, -0.0004130200000000 ] - [ -0.0012702600000000, -0.0347291400000000, 0.0046729100000000 ] - [ 0.0008618300000000, -0.0010020500000000, 0.0007191800000000 ] - [ 0.0007272800000000, -0.0039926900000000, 0.0009962200000000 ] - [ -0.0008232500000000, -0.0009153500000000, -0.0009468000000000 ] - [ -0.0009719600000000, 0.0087341800000000, -0.0007357100000000 ] - [ 0.0009066500000000, -0.0012429100000000, 0.0001069200000000 ] - [ -0.0001043200000000, -0.0001863600000000, -0.0007377700000000 ] - [ 0.0003965200000000, 0.0004193700000000, 0.0002547300000000 ] - [ -0.0007514500000000, -0.0115019800000000, -0.0019856100000000 ] - [ 0.0004102000000000, -0.0015274300000000, 0.0014077900000000 ] - [ 0.0005969400000000, -0.0000241600000000, -0.0001705900000000 ] - [ 0.0005660500000000, 0.0025005200000000, 0.0008810700000000 ] - [ 0.0000793200000000, -0.0002916700000000, 0.0001263700000000 ] - [ -0.0000061200000000, -0.0013352200000000, -0.0002713600000000 ] - [ 0.0000110500000000, 0.0001477100000000, -0.0000945700000000 ] - [ 0.0003452500000000, -0.0013600000000000, -0.0008873100000000 ] - [ 0.0001829000000000, 0.0006503500000000, 0.0004904300000000 ] - [ -0.0008474900000000, 0.0096949500000000, -0.0052044700000000 ] - [ 0.0057349200000000, -0.0035048800000000, 0.0043467100000000 ] - [ -0.0001728400000000, 0.0011165500000000, -0.0002616800000000 ] - [ -0.0002769100000000, -0.0001101800000000, -0.0001383100000000 ] - [ 0.0003295900000000, 0.0000624500000000, 0.0006894100000000 ] - [ 0.0018792000000000, 0.0006926500000000, -0.0010456600000000 ] - [ -0.0003478400000000, 0.0000315000000000, -0.0001419900000000 ] - [ -0.0039113300000000, -0.0032312900000000, -0.0037948100000000 ] - [ -0.0001076100000000, 0.0005644700000000, 0.0000442200000000 ] - [ 0.0004316800000000, -0.0001897700000000, 0.0009485500000000 ] - [ -0.0000363400000000, 0.0003025800000000, -0.0000362800000000 ] - [ 0.0004583700000000, 0.0128560100000000, 0.0001008200000000 ] - [ -0.0002417900000000, 0.0003119200000000, -0.0005240700000000 ] - [ -0.0001963200000000, -0.0003381400000000, -0.0003634000000000 ] - [ 0.0005685300000000, -0.0000171200000000, 0.0002034100000000 ] - [ 0.0003145300000000, 0.0000480100000000, 0.0002624500000000 ] - [ 0.0000559400000000, 0.0001918700000000, 0.0001464500000000 ] - [ -0.0000543600000000, 0.0002248900000000, -0.0001073000000000 ] - [ -0.0014312400000000, 0.0096348200000000, -0.0026915700000000 ] - [ -0.0005980300000000, 0.0009337500000000, 0.0003901700000000 ] - [ -0.0000524000000000, 0.0001792000000000, -0.0004402100000000 ] - [ 0.0294086400000000, -0.0407059500000000, -0.0138676700000000 ] - [ -0.0227413000000000, -0.1323797500000000, 0.0881085800000000 ] - [ 0.0003037000000000, 0.0002713900000000, 0.0000539900000000 ] - [ -0.0002414000000000, 0.0001030500000000, -0.0000170500000000 ] - [ -0.0003990000000000, -0.0001876300000000, -0.0007936800000000 ] - [ -0.0007360300000000, 0.0005140200000000, 0.0002317000000000 ] - [ 0.0012471100000000, 0.0128070200000000, 0.0034801500000000 ] - [ -0.0002583800000000, 0.0009226600000000, 0.0004830100000000 ] - [ -0.0007073100000000, -0.0014669700000000, 0.0007321600000000 ] - [ 0.0002266900000000, -0.0003137100000000, -0.0000479000000000 ] - [ -0.0016601300000000, 0.0086250500000000, 0.0086524100000000 ] - [ 0.0001448500000000, -0.0001077600000000, -0.0002602800000000 ] - [ -0.0010860700000000, 0.0020157700000000, 0.0006684400000000 ] - [ 0.0000081800000000, 0.0003045200000000, 0.0001604700000000 ] - [ -0.0000452700000000, 0.0000308200000000, 0.0001231800000000 ] - [ -0.0001183900000000, -0.0002530500000000, 0.0000638700000000 ] - [ -0.0000787500000000, 0.0002501600000000, 0.0001747900000000 ] - [ -0.0029119500000000, -0.0001019000000000, -0.0007545100000000 ] - [ -0.0000567300000000, 0.0011460200000000, -0.0002298800000000 ] - [ 0.0006155700000000, -0.0006007600000000, -0.0002555600000000 ] - [ 0.0004443600000000, 0.0001879900000000, -0.0002457900000000 ] - [ -0.0036489900000000, -0.0126415500000000, 0.0010713100000000 ] - [ -0.0002423400000000, -0.0002923100000000, 0.0001004100000000 ] - [ 0.0003940700000000, -0.0010005800000000, 0.0007543500000000 ] - [ 0.0002834100000000, -0.0026200900000000, -0.0003460500000000 ] - [ 0.0054155800000000, -0.1867621000000000, -0.0892215100000000 ] - [ -0.0008399200000000, 0.0023486300000000, -0.0011181600000000 ] - [ -0.0002381900000000, 0.0000680600000000, 0.0001823800000000 ] - [ -0.0006971100000000, 0.0006844700000000, -0.0004079400000000 ] - [ 0.0021313600000000, 0.0007097000000000, -0.0003953100000000 ] - [ 0.0000777400000000, 0.0001922100000000, 0.0004872100000000 ] - [ -0.0000356500000000, 0.0003115700000000, -0.0000695700000000 ] - [ 0.0009271800000000, 0.0090719700000000, -0.0064936500000000 ] - [ 0.0000583000000000, 0.0004627600000000, 0.0000056300000000 ] - [ 0.0000266300000000, -0.0002011300000000, -0.0002812700000000 ] - [ 0.0011319100000000, -0.0366615600000000, 0.0024817700000000 ] - [ -0.0006661500000000, 0.0026371800000000, 0.0005599000000000 ] - [ 0.0002614300000000, 0.0008350800000000, -0.0003900500000000 ] - [ -0.0001495400000000, 0.0006805000000000, -0.0004030200000000 ] - [ 0.0000339300000000, 0.0003309700000000, 0.0006169700000000 ] - [ -0.0005998300000000, 0.0000500000000000, 0.0005561300000000 ] - [ -0.0002471100000000, -0.0033471600000000, 0.0006017200000000 ] - [ 0.0020080500000000, -0.0017477100000000, -0.0013178500000000 ]- atom: 33 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ 0.0059270300000000, -0.0085888200000000, 0.0076774300000000 ] - [ 0.0072296200000000, 0.0084858300000000, 0.0057090400000000 ] - [ -0.0016067100000000, -0.0016875400000000, -0.0021129500000000 ] - [ -0.0010513300000000, -0.0041113700000000, 0.0009609200000000 ] - [ 0.0004178900000000, 0.0005705600000000, 0.0026537300000000 ] - [ -0.0009415200000000, -0.0011620500000000, 0.0002206000000000 ] - [ -0.0020790500000000, -0.0002794900000000, -0.0051093600000000 ] - [ 0.0139167000000000, -0.0126096000000000, 0.0053757400000000 ] - [ -0.0000734100000000, 0.0008587600000000, 0.0023875100000000 ] - [ 0.0002831200000000, -0.0004247300000000, 0.0024970300000000 ] - [ -0.0001672700000000, 0.0005048800000000, 0.0026758300000000 ] - [ 0.0000825500000000, 0.0002001400000000, 0.0031743000000000 ] - [ 0.0001537700000000, 0.0006122500000000, 0.0022379500000000 ] - [ -0.0025260100000000, -0.0011587700000000, -0.0044802700000000 ] - [ -0.0081584100000000, 0.0184245000000000, 0.0142563500000000 ] - [ -0.0172724300000000, -0.0084427800000000, 0.0157612200000000 ] - [ 0.0002631500000000, -0.0000208100000000, 0.0024204800000000 ] - [ -0.0002881500000000, 0.0001812200000000, 0.0024093100000000 ] - [ 0.0000872900000000, 0.0000712200000000, 0.0024655800000000 ] - [ 0.0003084700000000, 0.0005845100000000, 0.0029450500000000 ] - [ -0.0011127500000000, -0.0009747300000000, 0.0019762600000000 ] - [ -0.0228035500000000, -0.0089155400000000, 0.0016130100000000 ] - [ 0.0062953300000000, 0.0082629000000000, 0.0079138400000000 ] - [ -0.0024456200000000, 0.0019329800000000, -0.0023446500000000 ] - [ -0.0000606200000000, -0.0003355600000000, 0.0030179000000000 ] - [ -0.0006246100000000, 0.0005974200000000, 0.0033717400000000 ] - [ -0.0014685500000000, 0.0003250400000000, -0.0043901100000000 ] - [ -0.0103880000000000, 0.0113678800000000, 0.0029437100000000 ] - [ 0.0006273600000000, 0.0008797300000000, 0.0022597200000000 ] - [ -0.0001651100000000, 0.0006446900000000, 0.0017752000000000 ] - [ -0.0007350400000000, 0.0001774700000000, 0.0022066400000000 ] - [ 0.0001304300000000, 0.0007579400000000, 0.0024038900000000 ] - [ 0.1799480500000000, -0.0157014300000000, -0.3909884600000000 ] - [ -0.0001481700000000, 0.0003706400000000, 0.0043597000000000 ] - [ -0.0008227100000000, -0.0021310200000000, 0.0101619400000000 ] - [ -0.0036850200000000, 0.0001769500000000, 0.0031098500000000 ] - [ -0.0084292300000000, -0.0017843900000000, -0.0269521500000000 ] - [ 0.0019279900000000, 0.0004013900000000, 0.0024839000000000 ] - [ -0.0006918600000000, 0.0004925100000000, 0.0032994900000000 ] - [ 0.0017156700000000, 0.0045384800000000, -0.0269202400000000 ] - [ 0.0006206700000000, -0.0008671900000000, 0.0044493700000000 ] - [ 0.0000321900000000, 0.0009143800000000, -0.0060129600000000 ] - [ -0.0010317400000000, -0.0009784000000000, 0.0030064400000000 ] - [ 0.0047214800000000, 0.0002535600000000, 0.0033433100000000 ] - [ 0.0015449200000000, -0.0001258100000000, 0.0020113900000000 ] - [ -0.0007349500000000, -0.0004106800000000, 0.0022525100000000 ] - [ 0.0001531300000000, 0.0003453300000000, 0.0041523500000000 ] - [ -0.0011647400000000, -0.0024445600000000, 0.0055323700000000 ] - [ -0.0008504500000000, -0.0001137400000000, -0.0063964500000000 ] - [ 0.0005612700000000, -0.0010040700000000, -0.0021509500000000 ] - [ -0.0006579900000000, 0.0006639100000000, -0.0024756400000000 ] - [ 0.0003502400000000, -0.0001778800000000, -0.0022538600000000 ] - [ 0.0001687100000000, -0.0002366400000000, -0.0004260500000000 ] - [ 0.0004148100000000, 0.0000170600000000, -0.0021900700000000 ] - [ 0.0003076400000000, 0.0014268000000000, -0.0033614200000000 ] - [ -0.0002626200000000, 0.0006729000000000, -0.0017152700000000 ] - [ -0.0011299400000000, 0.0042610900000000, 0.0073220900000000 ] - [ -0.0031629500000000, -0.0001383400000000, -0.0003004900000000 ] - [ 0.0013442600000000, 0.0006580300000000, 0.0028319700000000 ] - [ 0.0000206300000000, -0.0000163300000000, -0.0014287900000000 ] - [ 0.0003480900000000, -0.0001396400000000, -0.0003791100000000 ] - [ 0.0002500500000000, 0.0016966200000000, 0.0052169800000000 ] - [ -0.0003663800000000, 0.0009001600000000, -0.0020588200000000 ] - [ -0.0049767400000000, -0.0002437600000000, -0.0002884800000000 ] - [ -0.0002483000000000, 0.0003308300000000, -0.0006766900000000 ] - [ -0.0000566700000000, -0.0000947300000000, -0.0012236100000000 ] - [ 0.0001475700000000, 0.0003970700000000, -0.0020456400000000 ] - [ -0.0005786400000000, -0.0007019500000000, 0.0098875400000000 ] - [ -0.0007438400000000, 0.0001387400000000, -0.0021004600000000 ] - [ -0.0016210500000000, 0.0003147500000000, -0.0041527400000000 ] - [ 0.0015891000000000, 0.0010924000000000, -0.0025744500000000 ] - [ 0.0002919800000000, -0.0008035200000000, -0.0018092600000000 ] - [ 0.0008419800000000, 0.0002225700000000, -0.0014800300000000 ] - [ -0.0000830400000000, 0.0005350300000000, -0.0020811400000000 ] - [ -0.0012865800000000, -0.0033221200000000, 0.0068743600000000 ] - [ 0.0063276600000000, -0.0017567800000000, -0.0027742600000000 ] - [ -0.0000567900000000, -0.0004805700000000, -0.0020229000000000 ] - [ -0.1419374300000000, 0.0256237700000000, 0.0734269500000000 ] - [ -0.0398152400000000, -0.0923237900000000, 0.1056631700000000 ] - [ 0.0004850200000000, 0.0007564100000000, -0.0016943000000000 ] - [ -0.0004998900000000, -0.0004610000000000, -0.0010274300000000 ] - [ -0.0008317900000000, -0.0003305500000000, -0.0028316400000000 ] - [ 0.0019475600000000, -0.0011028900000000, 0.0016016300000000 ] - [ -0.0040323200000000, -0.0097523100000000, 0.0088158200000000 ] - [ -0.0003574800000000, 0.0005961700000000, -0.0013653500000000 ] - [ 0.0036096600000000, 0.0023213700000000, -0.0013827900000000 ] - [ 0.0009681900000000, -0.0000469000000000, -0.0016597700000000 ] - [ 0.0010745800000000, -0.0010084000000000, -0.0016214000000000 ] - [ 0.0004503900000000, -0.0006705300000000, -0.0017518000000000 ] - [ -0.0000976700000000, 0.0009172400000000, 0.0044522200000000 ] - [ 0.0002819800000000, -0.0003772400000000, -0.0018193900000000 ] - [ -0.0002025500000000, -0.0006612000000000, -0.0012733000000000 ] - [ 0.0001600400000000, -0.0003540500000000, -0.0024194700000000 ] - [ 0.0000903700000000, 0.0001209600000000, -0.0015567700000000 ] - [ 0.0098300300000000, 0.0000680600000000, 0.0058054300000000 ] - [ -0.0014922800000000, -0.0001202100000000, -0.0010703000000000 ] - [ -0.0021478200000000, -0.0001971600000000, 0.0058806900000000 ] - [ 0.0010759500000000, 0.0007805900000000, -0.0014668000000000 ] - [ 0.0178566200000000, -0.0000574400000000, 0.0131568600000000 ] - [ 0.0004578100000000, -0.0005431600000000, -0.0014598900000000 ] - [ -0.0014007700000000, 0.0001962500000000, -0.0018447300000000 ] - [ 0.0000253000000000, -0.0013815000000000, 0.0063585400000000 ] - [ -0.0164186600000000, 0.0824256400000000, 0.0716427600000000 ] - [ 0.0014523600000000, -0.0022466000000000, 0.0025490500000000 ] - [ 0.0001519900000000, -0.0000985700000000, -0.0013475400000000 ] - [ -0.0005914100000000, 0.0006686000000000, 0.0000305100000000 ] - [ 0.0040150200000000, 0.0013184100000000, 0.0012452500000000 ] - [ 0.0000666000000000, 0.0008700300000000, -0.0011820600000000 ] - [ 0.0002457000000000, 0.0009664300000000, -0.0019310800000000 ] - [ 0.0010841200000000, 0.0034131600000000, -0.0048958800000000 ] - [ -0.0016320900000000, 0.0000268600000000, -0.0026414700000000 ] - [ 0.0000493500000000, 0.0007836000000000, -0.0019839500000000 ] - [ 0.0333458600000000, -0.0041486100000000, 0.0863909400000000 ] - [ 0.0013637300000000, 0.0004728300000000, -0.0019140000000000 ] - [ 0.0001244700000000, 0.0011362600000000, -0.0022521000000000 ] - [ -0.0006935400000000, 0.0006414200000000, -0.0028076300000000 ] - [ -0.0012317900000000, -0.0006242600000000, 0.0001830000000000 ] - [ -0.0007859700000000, 0.0002182400000000, -0.0010381800000000 ] - [ -0.0019772900000000, -0.0006827200000000, -0.0037110100000000 ] - [ 0.0033410600000000, -0.0010089600000000, -0.0031805900000000 ]- atom: 33 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ -0.0060149500000000, 0.0080965200000000, -0.0077762000000000 ] - [ -0.0070109800000000, -0.0092093400000000, -0.0051588700000000 ] - [ 0.0021316200000000, 0.0007242800000000, 0.0015200000000000 ] - [ 0.0003194900000000, 0.0032485700000000, -0.0015651200000000 ] - [ -0.0001935800000000, 0.0001425000000000, -0.0021551300000000 ] - [ 0.0006537300000000, -0.0000285200000000, 0.0007768300000000 ] - [ 0.0015707400000000, -0.0006681900000000, 0.0056960600000000 ] - [ -0.0137505500000000, 0.0121220300000000, -0.0052488900000000 ] - [ -0.0001475200000000, 0.0007795700000000, -0.0022291500000000 ] - [ -0.0004275200000000, 0.0001198500000000, -0.0028089700000000 ] - [ -0.0001209900000000, 0.0006844900000000, -0.0016740400000000 ] - [ 0.0006416300000000, 0.0006405500000000, -0.0025797800000000 ] - [ -0.0003671400000000, 0.0000986000000000, -0.0027253500000000 ] - [ 0.0022916900000000, -0.0004820700000000, 0.0046530200000000 ] - [ 0.0082813000000000, -0.0189198200000000, -0.0148457500000000 ] - [ 0.0181064000000000, 0.0077897900000000, -0.0153128700000000 ] - [ -0.0001184800000000, 0.0005193800000000, -0.0023583700000000 ] - [ 0.0000487400000000, 0.0004519100000000, -0.0017782400000000 ] - [ -0.0002360200000000, 0.0004295800000000, -0.0025472900000000 ] - [ -0.0001643400000000, -0.0008850100000000, -0.0026377100000000 ] - [ 0.0013953300000000, -0.0002099400000000, -0.0029826600000000 ] - [ 0.0229649400000000, 0.0073031500000000, -0.0017888200000000 ] - [ -0.0064484700000000, -0.0089794600000000, -0.0084425400000000 ] - [ 0.0023056800000000, -0.0016277400000000, 0.0020350000000000 ] - [ -0.0004651900000000, 0.0012921400000000, -0.0024326700000000 ] - [ 0.0009140300000000, 0.0005976900000000, -0.0043899500000000 ] - [ 0.0016385400000000, -0.0000328500000000, 0.0047078900000000 ] - [ 0.0101544900000000, -0.0121472400000000, -0.0023023700000000 ] - [ -0.0000935100000000, 0.0000802000000000, -0.0028378200000000 ] - [ 0.0004034500000000, -0.0000136700000000, -0.0024101300000000 ] - [ 0.0000091900000000, 0.0006713100000000, -0.0028008400000000 ] - [ 0.0000922400000000, 0.0008843200000000, -0.0025666600000000 ] - [ -0.1737118900000000, 0.0106177200000000, 0.3927143100000000 ] - [ -0.0017866400000000, 0.0002767800000000, -0.0045273500000000 ] - [ 0.0006335000000000, 0.0024249200000000, -0.0091108200000000 ] - [ 0.0035301900000000, -0.0004929300000000, -0.0021286000000000 ] - [ 0.0068072200000000, 0.0037025100000000, 0.0255653800000000 ] - [ 0.0000149200000000, 0.0002463400000000, -0.0023136700000000 ] - [ -0.0001372700000000, 0.0003141100000000, -0.0039444500000000 ] - [ -0.0025618800000000, -0.0053275000000000, 0.0261691800000000 ] - [ 0.0010274000000000, -0.0009933600000000, -0.0028167000000000 ] - [ 0.0016313100000000, 0.0009369600000000, 0.0076306500000000 ] - [ -0.0006153100000000, -0.0008825800000000, -0.0046402100000000 ] - [ -0.0066980300000000, -0.0008991300000000, -0.0034690000000000 ] - [ 0.0003994100000000, -0.0005210900000000, -0.0018665200000000 ] - [ 0.0009142300000000, 0.0000961300000000, -0.0032559200000000 ] - [ 0.0006764600000000, 0.0004613100000000, -0.0035124000000000 ] - [ 0.0013494900000000, 0.0027469700000000, -0.0065273900000000 ] - [ 0.0003059400000000, -0.0003605600000000, 0.0063602900000000 ] - [ 0.0006385300000000, 0.0009038700000000, 0.0015664200000000 ] - [ 0.0013759300000000, -0.0004899600000000, 0.0035581100000000 ] - [ -0.0001504800000000, -0.0003283800000000, 0.0022663100000000 ] - [ -0.0009038300000000, 0.0000675800000000, -0.0006644000000000 ] - [ -0.0002524800000000, 0.0004483600000000, 0.0019324100000000 ] - [ 0.0001601000000000, -0.0015721300000000, 0.0031537900000000 ] - [ 0.0006393600000000, 0.0006346200000000, 0.0026350700000000 ] - [ 0.0010483700000000, -0.0048085000000000, -0.0074955000000000 ] - [ 0.0043529900000000, 0.0002485600000000, -0.0003131200000000 ] - [ -0.0011532500000000, -0.0001517300000000, -0.0028097600000000 ] - [ -0.0010148900000000, -0.0006143300000000, 0.0014024000000000 ] - [ 0.0003771700000000, -0.0000261700000000, 0.0014761200000000 ] - [ -0.0007693300000000, -0.0034237000000000, -0.0042986700000000 ] - [ -0.0003297200000000, -0.0008483300000000, 0.0017066100000000 ] - [ 0.0051644500000000, 0.0007620100000000, 0.0001307500000000 ] - [ -0.0002646100000000, 0.0002271100000000, 0.0005206500000000 ] - [ 0.0008724300000000, -0.0002717100000000, 0.0029667900000000 ] - [ -0.0000151100000000, 0.0000956800000000, 0.0023194400000000 ] - [ 0.0009322200000000, -0.0006238600000000, -0.0089530700000000 ] - [ 0.0002978800000000, 0.0002447300000000, 0.0010303100000000 ] - [ 0.0008946400000000, -0.0001433200000000, 0.0030508100000000 ] - [ -0.0005830000000000, -0.0004575800000000, 0.0025936900000000 ] - [ 0.0004054500000000, 0.0008559200000000, 0.0021601200000000 ] - [ -0.0003304200000000, 0.0003342200000000, 0.0016347900000000 ] - [ -0.0000470800000000, -0.0000372300000000, 0.0018043600000000 ] - [ 0.0008689400000000, 0.0039149300000000, -0.0067500500000000 ] - [ -0.0061770400000000, 0.0013043400000000, 0.0025488100000000 ] - [ -0.0000988100000000, 0.0008921000000000, 0.0011158200000000 ] - [ 0.1353890300000000, -0.0234374500000000, -0.0718055200000000 ] - [ 0.0403870000000000, 0.0967259900000000, -0.1086028600000000 ] - [ 0.0000546500000000, -0.0002833900000000, 0.0016912900000000 ] - [ -0.0000151700000000, -0.0000969800000000, 0.0008762500000000 ] - [ 0.0000184400000000, -0.0000358300000000, 0.0010865500000000 ] - [ -0.0021182200000000, 0.0006578900000000, -0.0013451100000000 ] - [ 0.0038538500000000, 0.0092973700000000, -0.0096751000000000 ] - [ -0.0001518200000000, 0.0011427800000000, 0.0022822600000000 ] - [ -0.0034716000000000, -0.0028143500000000, 0.0016618500000000 ] - [ -0.0005144100000000, -0.0005508700000000, 0.0015397000000000 ] - [ -0.0005205300000000, 0.0005500700000000, 0.0016036900000000 ] - [ -0.0009919100000000, 0.0011458400000000, 0.0017570300000000 ] - [ -0.0006147200000000, -0.0009682800000000, -0.0048106800000000 ] - [ -0.0002231600000000, 0.0009560100000000, 0.0020421300000000 ] - [ 0.0000071800000000, 0.0001300700000000, 0.0013984900000000 ] - [ -0.0003564700000000, -0.0001521300000000, 0.0024016400000000 ] - [ -0.0002511000000000, 0.0003400900000000, 0.0018138100000000 ] - [ -0.0100922500000000, 0.0004337100000000, -0.0058502400000000 ] - [ 0.0010410600000000, -0.0002605100000000, -0.0000160800000000 ] - [ 0.0028805000000000, 0.0001267700000000, -0.0055472900000000 ] - [ -0.0006047400000000, -0.0006267500000000, 0.0012774800000000 ] - [ -0.0172908300000000, 0.0004318500000000, -0.0115728700000000 ] - [ -0.0009105400000000, -0.0000542700000000, 0.0015784600000000 ] - [ 0.0018520600000000, 0.0001872600000000, 0.0029095500000000 ] - [ 0.0005019100000000, -0.0003519800000000, -0.0073034200000000 ] - [ 0.0162000400000000, -0.0853676300000000, -0.0713310800000000 ] - [ -0.0022679100000000, 0.0026160200000000, -0.0042789900000000 ] - [ -0.0006251600000000, 0.0002573000000000, 0.0015387700000000 ] - [ 0.0003973400000000, -0.0001435000000000, 0.0001057000000000 ] - [ -0.0041501400000000, -0.0018292900000000, -0.0015256700000000 ] - [ 0.0000898100000000, -0.0004592400000000, 0.0020876900000000 ] - [ -0.0003020800000000, -0.0003884000000000, 0.0017063800000000 ] - [ -0.0015415500000000, -0.0035669200000000, 0.0050463200000000 ] - [ 0.0020840300000000, -0.0004091700000000, 0.0037442300000000 ] - [ 0.0001449200000000, -0.0013146400000000, 0.0018581700000000 ] - [ -0.0321021900000000, 0.0028033300000000, -0.0862347300000000 ] - [ -0.0023488600000000, 0.0001611700000000, 0.0018834900000000 ] - [ 0.0003871100000000, 0.0006058700000000, 0.0013318500000000 ] - [ 0.0003179500000000, 0.0006671000000000, 0.0018846800000000 ] - [ 0.0000323400000000, 0.0007328900000000, 0.0004111300000000 ] - [ -0.0004133100000000, -0.0003188600000000, 0.0016223700000000 ] - [ 0.0025197500000000, 0.0001261600000000, 0.0038821900000000 ] - [ -0.0023617400000000, 0.0003786400000000, 0.0032280900000000 ]- atom: 34 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ 0.0029904400000000, 0.0092439700000000, 0.0097875200000000 ] - [ 0.0005650100000000, -0.0002937800000000, 0.0003037700000000 ] - [ -0.0030790600000000, -0.0030547700000000, -0.0029402900000000 ] - [ 0.0044736600000000, 0.0002895900000000, 0.0010559200000000 ] - [ -0.0094268900000000, 0.0085165900000000, 0.0074899200000000 ] - [ -0.0002224800000000, -0.0005995800000000, 0.0002699600000000 ] - [ -0.0003842200000000, -0.0005338500000000, -0.0002537600000000 ] - [ 0.0005795600000000, -0.0003020000000000, 0.0000563300000000 ] - [ 0.0008190600000000, 0.0008845600000000, -0.0005571100000000 ] - [ -0.0000063300000000, -0.0001769700000000, -0.0006268700000000 ] - [ 0.0018933400000000, 0.0007073600000000, 0.0009670600000000 ] - [ 0.0074344300000000, -0.0000890300000000, 0.0026739400000000 ] - [ 0.0001719700000000, 0.0001878800000000, -0.0000401200000000 ] - [ -0.0009345600000000, -0.0008378800000000, -0.0002226300000000 ] - [ 0.0057069300000000, -0.0001621700000000, 0.0010470600000000 ] - [ 0.0000075600000000, -0.0004433300000000, 0.0003446000000000 ] - [ -0.0083435700000000, -0.0041489500000000, 0.0038304700000000 ] - [ 0.0036773000000000, 0.0003015900000000, 0.0020997200000000 ] - [ 0.0003045300000000, 0.0004243600000000, 0.0001556700000000 ] - [ 0.0024047500000000, -0.0097719200000000, -0.0084207100000000 ] - [ 0.0319754400000000, -0.0030035900000000, -0.0149478000000000 ] - [ 0.0012280200000000, -0.0011910100000000, -0.0036204700000000 ] - [ 0.0037620700000000, -0.0103179100000000, 0.0098799800000000 ] - [ -0.0035236700000000, 0.0045695400000000, -0.0050576100000000 ] - [ 0.0030262800000000, 0.0111732300000000, -0.0093965000000000 ] - [ 0.0001336600000000, 0.0006243700000000, -0.0007809600000000 ] - [ -0.0001144000000000, 0.0001926500000000, -0.0004435900000000 ] - [ -0.0005424000000000, -0.0003283900000000, 0.0005027100000000 ] - [ 0.0003567000000000, 0.0004561600000000, -0.0007587400000000 ] - [ -0.0003934700000000, 0.0000523100000000, -0.0002012500000000 ] - [ -0.0007678000000000, 0.0004744300000000, -0.0003801400000000 ] - [ -0.0011023000000000, 0.0009787800000000, -0.0012401100000000 ] - [ 0.0039194200000000, -0.0006489900000000, 0.0030357700000000 ] - [ -0.4776894100000000, -0.0175978500000000, -0.0123361800000000 ] - [ 0.0312167800000000, 0.0027504500000000, 0.0137850900000000 ] - [ -0.0003496800000000, -0.0001324100000000, 0.0003806900000000 ] - [ -0.0035444400000000, 0.0009933600000000, -0.0008058400000000 ] - [ 0.0011926600000000, 0.0002938200000000, -0.0001631500000000 ] - [ -0.0005558900000000, 0.0004727000000000, 0.0002520500000000 ] - [ -0.0000576900000000, -0.0006501500000000, 0.0009291000000000 ] - [ -0.0001091800000000, -0.0009893200000000, -0.0009100200000000 ] - [ 0.0012790000000000, 0.0007203600000000, -0.0008612500000000 ] - [ 0.0025517800000000, -0.0008550800000000, -0.0023660500000000 ] - [ -0.0006788000000000, -0.0003276500000000, -0.0002919500000000 ] - [ -0.0021312600000000, -0.0003443800000000, 0.0024535300000000 ] - [ 0.0026708400000000, -0.0000213400000000, -0.0037048400000000 ] - [ 0.0001521200000000, 0.0003873200000000, 0.0066307900000000 ] - [ -0.0000481000000000, 0.0001557800000000, -0.0006683300000000 ] - [ -0.0066813300000000, 0.0015208700000000, -0.0036588900000000 ] - [ 0.0484354400000000, -0.0304285300000000, -0.0236815800000000 ] - [ 0.0003988800000000, 0.0000838700000000, 0.0007530800000000 ] - [ -0.0002282000000000, -0.0001845700000000, 0.0007193700000000 ] - [ -0.0002597700000000, -0.0000960500000000, -0.0003358500000000 ] - [ 0.0004077700000000, 0.0001816100000000, 0.0001727200000000 ] - [ -0.0065969300000000, -0.0029933000000000, -0.0026332700000000 ] - [ 0.0011507500000000, 0.0006572900000000, -0.0000076200000000 ] - [ -0.0006321700000000, -0.0009491100000000, -0.0009776400000000 ] - [ 0.0003604200000000, -0.0000171500000000, -0.0001042300000000 ] - [ 0.0005821600000000, 0.0001916400000000, 0.0010214200000000 ] - [ -0.0036570000000000, -0.0006775900000000, 0.0007720100000000 ] - [ 0.0016709500000000, -0.0007999000000000, 0.0013566800000000 ] - [ -0.0003415900000000, -0.0006130000000000, 0.0016005400000000 ] - [ -0.0010074600000000, -0.0001745400000000, 0.0003943500000000 ] - [ -0.0001151400000000, 0.0003302300000000, 0.0000953400000000 ] - [ -0.0003961600000000, 0.0002858200000000, 0.0000136200000000 ] - [ -0.0018156900000000, -0.0001610900000000, 0.0010968600000000 ] - [ 0.0002793300000000, 0.0002361200000000, 0.0004684900000000 ] - [ -0.0004408000000000, -0.0006480700000000, 0.0000228100000000 ] - [ 0.0018785800000000, 0.0008735700000000, -0.0021529900000000 ] - [ -0.0188066500000000, -0.0006861100000000, -0.0001627900000000 ] - [ -0.0143370400000000, -0.0005812200000000, -0.0019239300000000 ] - [ -0.0003900700000000, 0.0003502000000000, 0.0007054000000000 ] - [ 0.2827141700000000, 0.0149263900000000, -0.0402616700000000 ] - [ -0.0027516600000000, -0.0011661700000000, 0.0002441900000000 ] - [ 0.0003379900000000, 0.0003307400000000, -0.0003784700000000 ] - [ -0.0063948500000000, -0.0036254300000000, 0.0070121100000000 ] - [ 0.0000085300000000, 0.0004375800000000, -0.0008072500000000 ] - [ -0.0028086300000000, 0.0005422800000000, 0.0005745400000000 ] - [ -0.0005697300000000, 0.0000099900000000, -0.0005519400000000 ] - [ -0.0017977800000000, -0.0019370500000000, -0.0011997300000000 ] - [ 0.0004964800000000, 0.0003070200000000, -0.0006087400000000 ] - [ 0.0001117900000000, -0.0000240200000000, -0.0005351000000000 ] - [ 0.0002966400000000, -0.0002181200000000, 0.0003180000000000 ] - [ -0.0003046200000000, 0.0005025800000000, -0.0012191100000000 ] - [ -0.0005244500000000, 0.0013683400000000, 0.0011558000000000 ] - [ -0.0050215100000000, 0.0034307700000000, 0.0044508300000000 ] - [ 0.0018897300000000, -0.0001618300000000, -0.0007709900000000 ] - [ 0.0003681000000000, -0.0002439400000000, -0.0000027800000000 ] - [ -0.0001419200000000, 0.0002674800000000, -0.0000017300000000 ] - [ -0.0004884900000000, 0.0001895000000000, 0.0005071600000000 ] - [ 0.0004256100000000, 0.0016329200000000, -0.0032958100000000 ] - [ -0.0002759400000000, -0.0001896400000000, 0.0002303100000000 ] - [ -0.0013700900000000, -0.0002690400000000, 0.0029788200000000 ] - [ -0.0020639800000000, 0.0017142800000000, 0.0006556300000000 ] - [ 0.0009944300000000, 0.0003521200000000, 0.0006180800000000 ] - [ -0.0003224300000000, -0.0001908200000000, -0.0004214100000000 ] - [ 0.0035544100000000, -0.0003980500000000, -0.0000682700000000 ] - [ 0.0003503700000000, 0.0000378800000000, -0.0000952600000000 ] - [ 0.0011473900000000, 0.0001732300000000, 0.0010159200000000 ] - [ -0.0009701000000000, -0.0006161200000000, -0.0001839000000000 ] - [ 0.0001110500000000, 0.0001826100000000, 0.0005489400000000 ] - [ 0.0019667400000000, -0.0005685400000000, -0.0006352100000000 ] - [ -0.0006412400000000, -0.0006097500000000, -0.0003703700000000 ] - [ -0.0013230900000000, -0.0001721200000000, -0.0000832400000000 ] - [ -0.0016588200000000, 0.0032231100000000, -0.0010790000000000 ] - [ 0.0042975400000000, -0.0012706100000000, -0.0003479300000000 ] - [ 0.0002021700000000, -0.0002505800000000, 0.0000018800000000 ] - [ 0.0007495400000000, -0.0009294000000000, -0.0021545500000000 ] - [ 0.0000773900000000, 0.0001203700000000, -0.0004135400000000 ] - [ -0.0001614700000000, -0.0000596500000000, 0.0000889800000000 ] - [ 0.0813448800000000, 0.0035676800000000, 0.0912505700000000 ] - [ 0.0465137200000000, 0.0244640300000000, -0.0195213400000000 ] - [ -0.0023755900000000, -0.0007722800000000, -0.0058171200000000 ] - [ -0.0003323600000000, 0.0003214500000000, 0.0000933000000000 ] - [ -0.0004160300000000, 0.0006455900000000, -0.0000357700000000 ] - [ -0.0008742300000000, 0.0005857300000000, -0.0014443900000000 ] - [ 0.0057486300000000, 0.0013005500000000, 0.0003488000000000 ] - [ -0.0007744100000000, -0.0000801000000000, 0.0004430500000000 ] - [ 0.0000231200000000, -0.0002864700000000, 0.0001767500000000 ] - [ 0.0006870000000000, -0.0003243400000000, 0.0001017400000000 ]- atom: 34 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ -0.0030577800000000, -0.0097160000000000, -0.0098792100000000 ] - [ -0.0003434500000000, -0.0004167900000000, 0.0001853800000000 ] - [ 0.0035840100000000, 0.0021082600000000, 0.0023664300000000 ] - [ -0.0052116200000000, -0.0011574400000000, -0.0016767600000000 ] - [ 0.0095397200000000, -0.0077978300000000, -0.0069976800000000 ] - [ -0.0000663000000000, -0.0005931400000000, 0.0007364200000000 ] - [ -0.0001499200000000, -0.0004243200000000, 0.0008366200000000 ] - [ -0.0004224300000000, -0.0001994300000000, 0.0000266100000000 ] - [ -0.0010344900000000, 0.0007500200000000, 0.0007402400000000 ] - [ -0.0001328600000000, -0.0001302800000000, 0.0003213000000000 ] - [ -0.0021618700000000, 0.0004761900000000, 0.0000199800000000 ] - [ -0.0067287800000000, 0.0009060800000000, -0.0020596900000000 ] - [ -0.0003888400000000, 0.0005238100000000, -0.0004403100000000 ] - [ 0.0007161400000000, -0.0008078300000000, 0.0003864700000000 ] - [ -0.0054822400000000, -0.0004579800000000, -0.0017194600000000 ] - [ 0.0007199400000000, -0.0004027400000000, 0.0002550200000000 ] - [ 0.0083940100000000, 0.0046471900000000, -0.0037781700000000 ] - [ -0.0039307100000000, 0.0003450400000000, -0.0014550900000000 ] - [ -0.0004577700000000, 0.0000755000000000, -0.0002298100000000 ] - [ -0.0021562200000000, 0.0096179200000000, 0.0088620800000000 ] - [ -0.0315819900000000, 0.0018418000000000, 0.0138855200000000 ] - [ -0.0010092300000000, -0.0004449500000000, 0.0034485800000000 ] - [ -0.0039040200000000, 0.0095866000000000, -0.0104224400000000 ] - [ 0.0033574600000000, -0.0042800300000000, 0.0047654800000000 ] - [ -0.0034651200000000, -0.0103681000000000, 0.0101336700000000 ] - [ 0.0001590300000000, 0.0005684500000000, -0.0002181600000000 ] - [ 0.0002587000000000, 0.0001100200000000, 0.0007588300000000 ] - [ 0.0003054500000000, -0.0002989800000000, 0.0001330100000000 ] - [ 0.0001850700000000, 0.0005065100000000, 0.0001837000000000 ] - [ 0.0006348200000000, 0.0005779100000000, -0.0004334100000000 ] - [ 0.0000426600000000, 0.0003718400000000, -0.0002132000000000 ] - [ 0.0013409400000000, 0.0006693300000000, 0.0010752700000000 ] - [ -0.0030696900000000, -0.0001599600000000, -0.0023932400000000 ] - [ 0.4575402200000000, 0.0169217200000000, 0.0192749500000000 ] - [ -0.0317510200000000, -0.0024961300000000, -0.0131968000000000 ] - [ 0.0001651300000000, -0.0001830300000000, 0.0006228800000000 ] - [ 0.0018900600000000, 0.0008683200000000, -0.0008084400000000 ] - [ 0.0007445700000000, 0.0003530900000000, 0.0003268100000000 ] - [ -0.0002897200000000, 0.0003365500000000, -0.0008970000000000 ] - [ -0.0007599200000000, -0.0001563600000000, -0.0015809500000000 ] - [ 0.0017692600000000, -0.0008811600000000, 0.0025344600000000 ] - [ 0.0003616400000000, 0.0011397700000000, 0.0024891700000000 ] - [ -0.0041940400000000, -0.0010111600000000, 0.0007806500000000 ] - [ -0.0012521400000000, -0.0003197900000000, 0.0001410100000000 ] - [ 0.0041148900000000, -0.0003161400000000, -0.0022700600000000 ] - [ -0.0025157200000000, -0.0003038200000000, 0.0026721100000000 ] - [ 0.0006360700000000, 0.0004244300000000, -0.0059557800000000 ] - [ 0.0002380500000000, 0.0001591000000000, -0.0003246000000000 ] - [ 0.0061662200000000, -0.0020318500000000, 0.0037518400000000 ] - [ -0.0467117100000000, 0.0302626800000000, 0.0229869200000000 ] - [ 0.0003224800000000, 0.0000852700000000, 0.0003408500000000 ] - [ 0.0004110400000000, -0.0003184000000000, -0.0007006100000000 ] - [ -0.0004601700000000, -0.0000721800000000, -0.0007658300000000 ] - [ -0.0002485900000000, 0.0002818800000000, -0.0004348100000000 ] - [ 0.0070956700000000, 0.0028867200000000, 0.0025174500000000 ] - [ -0.0007578500000000, 0.0006509100000000, 0.0009384600000000 ] - [ 0.0005688200000000, 0.0003811100000000, 0.0007702800000000 ] - [ 0.0008427700000000, 0.0001203100000000, -0.0004900400000000 ] - [ -0.0003729000000000, 0.0003157300000000, -0.0010060300000000 ] - [ 0.0026723400000000, 0.0000512500000000, -0.0007920000000000 ] - [ -0.0009249300000000, 0.0006381500000000, -0.0002467300000000 ] - [ -0.0001621200000000, -0.0011277500000000, -0.0006804300000000 ] - [ 0.0002973200000000, 0.0002151300000000, -0.0007293800000000 ] - [ 0.0003145500000000, 0.0001984700000000, -0.0002317800000000 ] - [ -0.0001036200000000, 0.0002705300000000, -0.0001674500000000 ] - [ 0.0026427700000000, -0.0002069100000000, 0.0006120700000000 ] - [ -0.0001482700000000, 0.0002585200000000, -0.0001920300000000 ] - [ 0.0008173200000000, -0.0006600700000000, 0.0009008900000000 ] - [ -0.0023053000000000, -0.0004781000000000, 0.0010733800000000 ] - [ 0.0185116800000000, 0.0008721600000000, -0.0009373500000000 ] - [ 0.0154765500000000, 0.0012300400000000, 0.0020028100000000 ] - [ 0.0010835400000000, -0.0003053500000000, -0.0003638200000000 ] - [ -0.2649250900000000, -0.0130811100000000, 0.0373490600000000 ] - [ 0.0026286500000000, 0.0016997600000000, -0.0005366600000000 ] - [ -0.0008015100000000, 0.0002660900000000, 0.0005021500000000 ] - [ 0.0066014700000000, 0.0031637000000000, -0.0072855100000000 ] - [ -0.0001553500000000, -0.0000246400000000, -0.0001011100000000 ] - [ 0.0032565600000000, 0.0000597300000000, -0.0006855600000000 ] - [ 0.0006237300000000, -0.0005798500000000, 0.0007660700000000 ] - [ 0.0023529700000000, 0.0023943300000000, 0.0011989000000000 ] - [ -0.0010399600000000, -0.0008631400000000, 0.0004642300000000 ] - [ -0.0009184500000000, -0.0003403500000000, -0.0012021500000000 ] - [ -0.0004547800000000, -0.0002458300000000, -0.0000611300000000 ] - [ 0.0001417900000000, -0.0009187600000000, 0.0003225400000000 ] - [ 0.0000054200000000, 0.0003779700000000, -0.0002065200000000 ] - [ 0.0051901100000000, -0.0039246800000000, -0.0041678600000000 ] - [ -0.0014158700000000, -0.0004378800000000, 0.0006577300000000 ] - [ 0.0001695300000000, -0.0002336600000000, -0.0000051200000000 ] - [ -0.0003910300000000, 0.0002080500000000, 0.0000042900000000 ] - [ -0.0001999800000000, -0.0002412700000000, -0.0008617300000000 ] - [ -0.0003429100000000, -0.0010436800000000, 0.0034985200000000 ] - [ 0.0000815400000000, -0.0003423600000000, -0.0001000300000000 ] - [ 0.0011513100000000, -0.0002385600000000, -0.0030288400000000 ] - [ 0.0019037900000000, -0.0012807700000000, -0.0004103300000000 ] - [ -0.0011829400000000, 0.0001542500000000, -0.0006375700000000 ] - [ -0.0001232100000000, -0.0001934100000000, -0.0006523900000000 ] - [ -0.0028480300000000, 0.0003405000000000, 0.0004074200000000 ] - [ 0.0001284400000000, 0.0001186100000000, -0.0000980200000000 ] - [ -0.0003339900000000, 0.0001945600000000, 0.0007219700000000 ] - [ 0.0005274000000000, 0.0000159800000000, 0.0002965800000000 ] - [ 0.0003368600000000, 0.0002015000000000, 0.0005168000000000 ] - [ -0.0014511600000000, -0.0011703200000000, -0.0002972700000000 ] - [ 0.0007926000000000, 0.0001892200000000, 0.0012682200000000 ] - [ 0.0005172700000000, 0.0005407200000000, -0.0016554300000000 ] - [ 0.0011971100000000, -0.0030315800000000, 0.0012739300000000 ] - [ -0.0044952000000000, 0.0017926000000000, 0.0004666900000000 ] - [ -0.0003314900000000, -0.0002458800000000, -0.0002812400000000 ] - [ -0.0005649400000000, 0.0013274700000000, 0.0030572400000000 ] - [ -0.0001268300000000, 0.0004567100000000, 0.0001869500000000 ] - [ -0.0003124100000000, -0.0000954900000000, 0.0000994100000000 ] - [ -0.0817854800000000, -0.0041050600000000, -0.0937486100000000 ] - [ -0.0457896300000000, -0.0247541800000000, 0.0191644500000000 ] - [ 0.0019767300000000, -0.0005353500000000, 0.0048628400000000 ] - [ -0.0006691500000000, 0.0003079400000000, -0.0001175700000000 ] - [ 0.0009238700000000, 0.0011001400000000, -0.0008942800000000 ] - [ 0.0005097700000000, 0.0007211500000000, 0.0005176200000000 ] - [ -0.0069455000000000, -0.0011872800000000, 0.0002285500000000 ] - [ -0.0004234900000000, -0.0000198500000000, 0.0001440600000000 ] - [ 0.0004841100000000, -0.0002701500000000, -0.0000276800000000 ] - [ 0.0003197800000000, -0.0003062200000000, -0.0000827100000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0028684700000000, -0.0017929900000000, 0.0041370500000000 ] - [ 0.0001542500000000, -0.0003041700000000, 0.0001949900000000 ] - [ -0.0019304700000000, 0.0003485200000000, 0.0014269200000000 ] - [ -0.0001650600000000, -0.0002187300000000, -0.0001521800000000 ] - [ 0.0185956000000000, 0.0207231700000000, 0.0127207300000000 ] - [ -0.0001518600000000, -0.0005718500000000, 0.0004190100000000 ] - [ -0.0002462500000000, -0.0005160800000000, 0.0001986200000000 ] - [ 0.0000709400000000, -0.0002389700000000, -0.0000444900000000 ] - [ 0.0003965000000000, 0.0024915600000000, -0.0003165800000000 ] - [ 0.0000316800000000, -0.0000673400000000, -0.0003746100000000 ] - [ -0.0005007200000000, 0.0035551500000000, 0.0009150700000000 ] - [ -0.0004293200000000, -0.0010082600000000, 0.0013423600000000 ] - [ -0.0001292100000000, 0.0003203700000000, -0.0003326700000000 ] - [ -0.0001226100000000, -0.0006563300000000, -0.0001622300000000 ] - [ 0.0003502500000000, -0.0003469500000000, -0.0001684500000000 ] - [ 0.0003576000000000, -0.0004529500000000, 0.0002199300000000 ] - [ -0.0158073300000000, 0.0216709500000000, -0.0104095300000000 ] - [ 0.0003621000000000, 0.0000339700000000, 0.0007179500000000 ] - [ 0.0000399200000000, 0.0001320000000000, -0.0000100000000000 ] - [ -0.0201214600000000, 0.0001958000000000, 0.0129752300000000 ] - [ 0.0006882300000000, 0.0001090500000000, -0.0009094600000000 ] - [ 0.0001254300000000, -0.0009267000000000, -0.0002040600000000 ] - [ -0.0037289800000000, -0.0042800900000000, -0.0040847200000000 ] - [ 0.0027560600000000, 0.0006751200000000, -0.0027148900000000 ] - [ 0.0221467700000000, 0.0005943900000000, -0.0135406700000000 ] - [ 0.0001422300000000, 0.0003939900000000, -0.0005685500000000 ] - [ 0.0000568200000000, 0.0001634900000000, 0.0000778900000000 ] - [ -0.0001559000000000, -0.0002944700000000, 0.0003123400000000 ] - [ 0.0000030500000000, 0.0006163900000000, -0.0002607900000000 ] - [ -0.0000178800000000, 0.0004984200000000, -0.0009508400000000 ] - [ -0.0003414000000000, 0.0006229500000000, -0.0001421700000000 ] - [ 0.0000222600000000, -0.0010590900000000, 0.0007867600000000 ] - [ 0.0006464500000000, -0.0009584800000000, 0.0004908800000000 ] - [ -0.0159912300000000, -0.3758471200000000, -0.0101552100000000 ] - [ 0.0012286800000000, -0.0005603100000000, -0.0003497400000000 ] - [ -0.0000889000000000, -0.0002148000000000, 0.0003584400000000 ] - [ -0.0009771100000000, -0.0002210800000000, -0.0005813400000000 ] - [ 0.0009995900000000, 0.0003134400000000, -0.0000307500000000 ] - [ -0.0006812800000000, 0.0013237600000000, -0.0002318000000000 ] - [ -0.0004492900000000, 0.0003007500000000, -0.0004361600000000 ] - [ 0.0003506900000000, 0.0092788600000000, -0.0019115500000000 ] - [ 0.0009328000000000, 0.0009360700000000, 0.0006339900000000 ] - [ -0.0004278100000000, -0.0010771700000000, -0.0008661900000000 ] - [ -0.0009654900000000, -0.0003536000000000, -0.0001894500000000 ] - [ 0.0009192900000000, 0.0248730500000000, -0.0015340600000000 ] - [ 0.0004567800000000, 0.0056015700000000, -0.0000523400000000 ] - [ -0.0000298900000000, -0.0086547300000000, -0.0005479100000000 ] - [ 0.0000990900000000, 0.0002316200000000, -0.0006152200000000 ] - [ -0.0017159900000000, 0.0006349600000000, -0.0000249800000000 ] - [ -0.0276711000000000, 0.1369914300000000, 0.0778945100000000 ] - [ 0.0003948300000000, 0.0000512300000000, 0.0006546900000000 ] - [ -0.0001685200000000, -0.0021736500000000, 0.0008166800000000 ] - [ -0.0003461900000000, -0.0000726400000000, -0.0004832100000000 ] - [ 0.0000621100000000, 0.0003118900000000, 0.0001113600000000 ] - [ 0.0003489100000000, 0.0010738100000000, -0.0005449700000000 ] - [ 0.0002770500000000, -0.0016749100000000, 0.0001909300000000 ] - [ -0.0003879200000000, -0.0006811200000000, -0.0003432700000000 ] - [ 0.0005762700000000, 0.0000339300000000, -0.0002438600000000 ] - [ 0.0000283600000000, -0.0001811500000000, 0.0001429800000000 ] - [ -0.0002291900000000, -0.0012815400000000, -0.0002246100000000 ] - [ -0.0000366500000000, -0.0018519700000000, 0.0003291900000000 ] - [ -0.0002921800000000, -0.0009252700000000, 0.0005602800000000 ] - [ -0.0016030600000000, -0.0084628000000000, 0.0062408300000000 ] - [ 0.0000910500000000, 0.0002952500000000, -0.0000139700000000 ] - [ -0.0002911600000000, 0.0002703400000000, -0.0000318300000000 ] - [ 0.0002655800000000, 0.0010857400000000, 0.0007631700000000 ] - [ 0.0001497200000000, 0.0004300800000000, -0.0002774000000000 ] - [ 0.0002016200000000, -0.0007813700000000, 0.0005555200000000 ] - [ -0.0003268300000000, -0.0133104300000000, -0.0003815700000000 ] - [ -0.0003123600000000, 0.0116198600000000, -0.0002636200000000 ] - [ -0.0000971700000000, 0.0000888100000000, -0.0000320800000000 ] - [ 0.0000973600000000, 0.0003430800000000, 0.0005178800000000 ] - [ 0.0149143200000000, 0.0292692500000000, -0.0001944900000000 ] - [ -0.0019024900000000, -0.0005304800000000, 0.0003147800000000 ] - [ -0.0002246400000000, 0.0001269700000000, 0.0000611700000000 ] - [ -0.0005406700000000, -0.0000148000000000, -0.0002230800000000 ] - [ -0.0000514100000000, -0.0002776700000000, -0.0004204500000000 ] - [ 0.0000655100000000, 0.0004144500000000, 0.0000012100000000 ] - [ 0.0000320600000000, -0.0002827900000000, 0.0002506200000000 ] - [ -0.0014230400000000, -0.0017751100000000, 0.0010241700000000 ] - [ 0.0006787100000000, -0.0051507600000000, 0.0003207500000000 ] - [ -0.0002827800000000, -0.0023841400000000, -0.0002232900000000 ] - [ -0.0000703500000000, -0.0002515800000000, 0.0001768200000000 ] - [ 0.0005052400000000, -0.0005467500000000, 0.0000608100000000 ] - [ 0.0004026000000000, -0.0063790000000000, -0.0059563400000000 ] - [ -0.0002527000000000, 0.0002597500000000, 0.0006387200000000 ] - [ 0.0005756400000000, 0.0015736500000000, 0.0009120900000000 ] - [ 0.0002770600000000, -0.0002352800000000, 0.0000531800000000 ] - [ -0.0002075400000000, 0.0002548400000000, 0.0000845700000000 ] - [ -0.0003527100000000, -0.0000049600000000, -0.0001204100000000 ] - [ 0.0044669700000000, 0.0037120000000000, 0.0036670400000000 ] - [ -0.0001643600000000, -0.0002337400000000, 0.0001510600000000 ] - [ -0.0005942900000000, 0.0036297800000000, 0.0005179700000000 ] - [ 0.0020053700000000, -0.0009958900000000, -0.0007791100000000 ] - [ -0.0000815100000000, 0.0004182600000000, 0.0000183500000000 ] - [ -0.0002083800000000, -0.0001894600000000, -0.0004590800000000 ] - [ 0.0002979300000000, 0.0005799600000000, -0.0003005900000000 ] - [ 0.0002064400000000, 0.0001180000000000, -0.0000634000000000 ] - [ 0.0004637400000000, 0.0004480200000000, 0.0008344400000000 ] - [ 0.0000123700000000, -0.0009943000000000, -0.0003068900000000 ] - [ 0.0002323100000000, 0.0001632500000000, 0.0006036100000000 ] - [ 0.0003567700000000, -0.0000731700000000, 0.0001261800000000 ] - [ -0.0000447200000000, -0.0003156600000000, 0.0002465600000000 ] - [ -0.0004446300000000, 0.0001042300000000, -0.0008168300000000 ] - [ 0.0021882800000000, -0.0027398600000000, -0.0013581000000000 ] - [ -0.0012342100000000, -0.0067646300000000, -0.0030833000000000 ] - [ -0.0000631600000000, -0.0002551600000000, -0.0000331100000000 ] - [ -0.0042077800000000, 0.0038624700000000, -0.0038167300000000 ] - [ 0.0000619700000000, 0.0000137400000000, -0.0003092600000000 ] - [ -0.0002426200000000, -0.0001390400000000, 0.0001472100000000 ] - [ 0.0029937200000000, 0.0348422200000000, 0.0060305600000000 ] - [ 0.0207955600000000, 0.1384360000000000, -0.0732083100000000 ] - [ -0.0003709200000000, -0.0015084300000000, -0.0009463300000000 ] - [ -0.0004924800000000, 0.0003041800000000, 0.0001047200000000 ] - [ 0.0004049300000000, 0.0012980300000000, -0.0003359400000000 ] - [ -0.0001812200000000, 0.0020098200000000, -0.0005131800000000 ] - [ 0.0012516500000000, -0.0064121700000000, 0.0056387400000000 ] - [ -0.0006269000000000, -0.0000747000000000, 0.0003370700000000 ] - [ 0.0002379200000000, -0.0002493200000000, 0.0001142400000000 ] - [ 0.0004818400000000, -0.0002756900000000, 0.0000393400000000 ]- atom: 34 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0030605400000000, 0.0013771900000000, -0.0042344200000000 ] - [ 0.0000627200000000, -0.0004060900000000, 0.0002842800000000 ] - [ 0.0025077800000000, -0.0012761200000000, -0.0020467900000000 ] - [ -0.0005630700000000, -0.0006106000000000, -0.0004427900000000 ] - [ -0.0182834800000000, -0.0199187500000000, -0.0120154500000000 ] - [ -0.0001385600000000, -0.0006191100000000, 0.0005761700000000 ] - [ -0.0002882900000000, -0.0004429800000000, 0.0003745800000000 ] - [ 0.0000834900000000, -0.0002612000000000, 0.0001177100000000 ] - [ -0.0006092400000000, -0.0008520900000000, 0.0004850900000000 ] - [ -0.0001743200000000, -0.0002360500000000, 0.0000542400000000 ] - [ 0.0001902300000000, -0.0023590700000000, 0.0001222900000000 ] - [ 0.0011622900000000, 0.0018741100000000, -0.0007454600000000 ] - [ -0.0000868500000000, 0.0003929700000000, -0.0001575100000000 ] - [ -0.0000974700000000, -0.0009852600000000, 0.0003078300000000 ] - [ -0.0001157300000000, -0.0002942700000000, -0.0004591000000000 ] - [ 0.0003662900000000, -0.0003907400000000, 0.0003666600000000 ] - [ 0.0159992000000000, -0.0212471100000000, 0.0106554300000000 ] - [ -0.0005903600000000, 0.0005879500000000, -0.0000719500000000 ] - [ -0.0001911300000000, 0.0003677700000000, -0.0000750600000000 ] - [ 0.0202351400000000, -0.0004830200000000, -0.0126092000000000 ] - [ -0.0004406500000000, -0.0012844400000000, -0.0000835200000000 ] - [ 0.0000961700000000, -0.0007077100000000, 0.0000459300000000 ] - [ 0.0034507800000000, 0.0034724200000000, 0.0035546400000000 ] - [ -0.0028415000000000, -0.0004061300000000, 0.0023714900000000 ] - [ -0.0227239200000000, 0.0003635500000000, 0.0141893800000000 ] - [ 0.0001483900000000, 0.0007996600000000, -0.0004428400000000 ] - [ 0.0000876200000000, 0.0001409500000000, 0.0002284300000000 ] - [ -0.0000835900000000, -0.0003346600000000, 0.0003125300000000 ] - [ 0.0005358300000000, 0.0003424800000000, -0.0003285700000000 ] - [ 0.0002514800000000, 0.0001309000000000, 0.0003122600000000 ] - [ -0.0003899400000000, 0.0002244500000000, -0.0004602000000000 ] - [ 0.0001997600000000, 0.0027060000000000, -0.0009619500000000 ] - [ 0.0001844700000000, 0.0001531100000000, 0.0001463800000000 ] - [ 0.0184850700000000, 0.3771151400000000, -0.0023835600000000 ] - [ -0.0013359800000000, 0.0008902000000000, 0.0013854800000000 ] - [ -0.0000988000000000, -0.0001005500000000, 0.0006288700000000 ] - [ -0.0006700700000000, 0.0020678800000000, -0.0010514300000000 ] - [ 0.0009427500000000, 0.0003346700000000, 0.0001783600000000 ] - [ -0.0001437300000000, -0.0005146500000000, -0.0003986100000000 ] - [ -0.0003886400000000, -0.0011043500000000, -0.0002290400000000 ] - [ 0.0012873800000000, -0.0111629500000000, 0.0035586700000000 ] - [ 0.0007277100000000, 0.0009282400000000, 0.0009884500000000 ] - [ -0.0012085600000000, -0.0007818500000000, -0.0007679600000000 ] - [ -0.0009718000000000, -0.0002937200000000, 0.0000220800000000 ] - [ 0.0009480000000000, -0.0254664300000000, 0.0017489600000000 ] - [ -0.0002280800000000, -0.0059175000000000, -0.0009399800000000 ] - [ 0.0008339700000000, 0.0094571400000000, 0.0011893300000000 ] - [ 0.0000866800000000, 0.0000827200000000, -0.0003949700000000 ] - [ 0.0011653900000000, -0.0010844700000000, 0.0000050700000000 ] - [ 0.0269427100000000, -0.1313469400000000, -0.0732827900000000 ] - [ 0.0003277600000000, 0.0001184100000000, 0.0004469300000000 ] - [ 0.0003408300000000, 0.0016726600000000, -0.0007853400000000 ] - [ -0.0003724900000000, -0.0000958600000000, -0.0006055800000000 ] - [ 0.0001006700000000, 0.0001551700000000, -0.0003632200000000 ] - [ 0.0001195300000000, -0.0012727700000000, 0.0003340400000000 ] - [ 0.0001029100000000, 0.0029822900000000, 0.0007073900000000 ] - [ 0.0003432200000000, 0.0001033100000000, 0.0001303700000000 ] - [ 0.0006249700000000, 0.0000646000000000, -0.0003397600000000 ] - [ 0.0001550600000000, 0.0006853500000000, -0.0001111400000000 ] - [ -0.0007776500000000, 0.0006508000000000, 0.0002011600000000 ] - [ 0.0007271000000000, 0.0016805900000000, 0.0007594900000000 ] - [ -0.0002189500000000, -0.0008168400000000, 0.0003596200000000 ] - [ 0.0009073400000000, 0.0085113800000000, -0.0065956000000000 ] - [ 0.0001060900000000, 0.0002383900000000, -0.0001133300000000 ] - [ -0.0002219700000000, 0.0002855400000000, -0.0001149300000000 ] - [ 0.0005382200000000, -0.0014521600000000, 0.0009754400000000 ] - [ -0.0000157900000000, 0.0000635300000000, 0.0005636500000000 ] - [ 0.0001769600000000, -0.0005251700000000, 0.0003702800000000 ] - [ -0.0001284500000000, 0.0136822100000000, -0.0007241400000000 ] - [ -0.0004049400000000, -0.0114465200000000, -0.0007957300000000 ] - [ 0.0010958300000000, 0.0005339000000000, 0.0000501100000000 ] - [ 0.0005904000000000, -0.0002824100000000, -0.0001573500000000 ] - [ -0.0156453400000000, -0.0289692700000000, 0.0006336800000000 ] - [ 0.0017550600000000, 0.0010185800000000, -0.0006011100000000 ] - [ -0.0002280800000000, 0.0004717200000000, 0.0000653400000000 ] - [ 0.0007117600000000, -0.0004313600000000, -0.0000527700000000 ] - [ -0.0001007400000000, 0.0006881600000000, -0.0004861900000000 ] - [ 0.0003875600000000, 0.0001860600000000, -0.0001199300000000 ] - [ 0.0000238500000000, -0.0002920800000000, -0.0000298300000000 ] - [ 0.0019369600000000, 0.0022541300000000, -0.0010385100000000 ] - [ -0.0011462100000000, 0.0045870800000000, -0.0004932100000000 ] - [ -0.0005126100000000, 0.0020257400000000, -0.0014971300000000 ] - [ -0.0000942900000000, -0.0002134800000000, 0.0000847200000000 ] - [ -0.0006441300000000, 0.0001371500000000, -0.0009536600000000 ] - [ -0.0009080900000000, 0.0081081900000000, 0.0069020800000000 ] - [ 0.0003912300000000, -0.0007679100000000, -0.0003684400000000 ] - [ -0.0001091400000000, -0.0021744900000000, -0.0010252800000000 ] - [ 0.0002575400000000, -0.0002362300000000, -0.0000476600000000 ] - [ -0.0003247800000000, 0.0002216600000000, -0.0000801500000000 ] - [ -0.0003439700000000, -0.0000450900000000, -0.0002286300000000 ] - [ -0.0044046600000000, -0.0031490300000000, -0.0034596100000000 ] - [ -0.0000371200000000, -0.0002936800000000, -0.0000157100000000 ] - [ 0.0003864300000000, -0.0041358200000000, -0.0005240400000000 ] - [ -0.0021836500000000, 0.0014718100000000, 0.0010236200000000 ] - [ -0.0001191400000000, 0.0000893300000000, -0.0000304000000000 ] - [ -0.0002365800000000, -0.0001919100000000, -0.0006049600000000 ] - [ 0.0003965400000000, -0.0006533700000000, 0.0006497600000000 ] - [ 0.0002715000000000, 0.0000419500000000, -0.0001290400000000 ] - [ 0.0003512300000000, -0.0000769900000000, 0.0009112800000000 ] - [ -0.0004697200000000, 0.0003941000000000, 0.0004191500000000 ] - [ 0.0002146500000000, 0.0002203700000000, 0.0004695800000000 ] - [ 0.0001521000000000, -0.0016477700000000, -0.0010327800000000 ] - [ 0.0001984000000000, -0.0000993900000000, 0.0006553500000000 ] - [ -0.0003677800000000, 0.0002668300000000, -0.0009231300000000 ] - [ -0.0026935800000000, 0.0028956500000000, 0.0015453600000000 ] - [ 0.0010504800000000, 0.0073414000000000, 0.0032786000000000 ] - [ -0.0000703700000000, -0.0002376800000000, -0.0002392400000000 ] - [ 0.0043653700000000, -0.0034322500000000, 0.0047089500000000 ] - [ -0.0001169400000000, 0.0005643100000000, 0.0000862000000000 ] - [ -0.0002343300000000, -0.0000211100000000, 0.0000516100000000 ] - [ -0.0020788200000000, -0.0351331300000000, -0.0040206700000000 ] - [ -0.0223246500000000, -0.1452644500000000, 0.0784647100000000 ] - [ -0.0000064200000000, 0.0002021600000000, 0.0000110400000000 ] - [ -0.0005047600000000, 0.0003262900000000, -0.0001206900000000 ] - [ 0.0000987400000000, 0.0004372600000000, -0.0005812100000000 ] - [ -0.0001920900000000, -0.0007008300000000, -0.0004032400000000 ] - [ -0.0024344800000000, 0.0064437500000000, -0.0049544500000000 ] - [ -0.0005778800000000, -0.0000262800000000, 0.0002545100000000 ] - [ 0.0002703800000000, -0.0003053700000000, 0.0000389100000000 ] - [ 0.0005169300000000, -0.0003518600000000, -0.0000125700000000 ]- atom: 34 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ 0.0071203800000000, 0.0101306700000000, 0.0077757000000000 ] - [ 0.0004399400000000, -0.0000512700000000, 0.0027445400000000 ] - [ -0.0012022300000000, 0.0034967800000000, 0.0009642700000000 ] - [ -0.0016915700000000, 0.0011794600000000, -0.0022389200000000 ] - [ 0.0166900000000000, 0.0089571000000000, -0.0004912800000000 ] - [ -0.0002640500000000, -0.0006908600000000, 0.0029180000000000 ] - [ -0.0004919800000000, -0.0003354200000000, 0.0027878300000000 ] - [ 0.0003207700000000, -0.0005261900000000, 0.0024956500000000 ] - [ -0.0009405200000000, 0.0008229900000000, 0.0002683700000000 ] - [ -0.0004352000000000, -0.0005195100000000, 0.0022747900000000 ] - [ -0.0015206300000000, 0.0006497400000000, -0.0042127900000000 ] - [ -0.0027756400000000, 0.0016610500000000, -0.0053279000000000 ] - [ 0.0001450000000000, 0.0003366100000000, 0.0021352400000000 ] - [ -0.0001287000000000, -0.0014879200000000, 0.0023023300000000 ] - [ -0.0016894400000000, -0.0013181400000000, -0.0003767700000000 ] - [ 0.0004928700000000, -0.0008484000000000, 0.0031250800000000 ] - [ 0.0140249200000000, -0.0094884600000000, 0.0013294400000000 ] - [ -0.0016993600000000, 0.0007605900000000, -0.0026327900000000 ] - [ -0.0000436700000000, 0.0003206500000000, 0.0023609700000000 ] - [ -0.0147808200000000, 0.0077949800000000, 0.0102566600000000 ] - [ -0.0207012000000000, 0.0008782000000000, 0.0063830900000000 ] - [ -0.0005981500000000, -0.0001982000000000, 0.0021152100000000 ] - [ 0.0080041900000000, -0.0107319300000000, 0.0083892700000000 ] - [ -0.0023411500000000, -0.0048625200000000, 0.0034013900000000 ] - [ -0.0172119700000000, -0.0091296500000000, 0.0116276500000000 ] - [ -0.0000222700000000, 0.0005519000000000, 0.0021496800000000 ] - [ -0.0001234200000000, 0.0000683600000000, 0.0026950700000000 ] - [ 0.0000823600000000, 0.0004862700000000, 0.0025642600000000 ] - [ -0.0000821600000000, 0.0009402700000000, 0.0021330800000000 ] - [ 0.0005266400000000, 0.0002738500000000, 0.0022695800000000 ] - [ 0.0000867700000000, 0.0001985400000000, 0.0023660800000000 ] - [ -0.0001097400000000, 0.0008210900000000, 0.0043483000000000 ] - [ 0.0020751000000000, -0.0004152600000000, 0.0051968800000000 ] - [ 0.1971546700000000, 0.0045175500000000, -0.3801550800000000 ] - [ -0.0043499800000000, -0.0016718200000000, -0.0264788800000000 ] - [ 0.0000176500000000, 0.0000644700000000, 0.0046033800000000 ] - [ -0.0016303200000000, -0.0005423900000000, 0.0063464200000000 ] - [ 0.0006479100000000, 0.0004298000000000, 0.0036980900000000 ] - [ 0.0007832000000000, 0.0003549800000000, 0.0019301200000000 ] - [ 0.0000237100000000, -0.0007790600000000, 0.0018152600000000 ] - [ 0.0000695800000000, -0.0002464000000000, 0.0062772800000000 ] - [ -0.0000272300000000, 0.0011863900000000, 0.0032116900000000 ] - [ -0.0057545900000000, -0.0011065300000000, 0.0019326800000000 ] - [ -0.0012922600000000, -0.0002274300000000, 0.0036866200000000 ] - [ 0.0045030900000000, -0.0017754800000000, -0.0259781900000000 ] - [ -0.0006482200000000, -0.0008351700000000, -0.0069854600000000 ] - [ 0.0047858600000000, -0.0001784500000000, 0.0030204200000000 ] - [ 0.0001605700000000, 0.0002720800000000, 0.0035292900000000 ] - [ -0.0044501800000000, -0.0006576900000000, 0.0055046200000000 ] - [ -0.0395177700000000, 0.0842950300000000, 0.0862562200000000 ] - [ -0.0002903900000000, 0.0001889200000000, -0.0019149900000000 ] - [ 0.0017430400000000, -0.0004003200000000, -0.0023829500000000 ] - [ -0.0010502700000000, -0.0000192800000000, -0.0030574200000000 ] - [ 0.0004304000000000, 0.0002904000000000, -0.0021461500000000 ] - [ -0.0040893800000000, -0.0007198400000000, 0.0055828200000000 ] - [ -0.0014325800000000, 0.0005535000000000, 0.0000464000000000 ] - [ -0.0002423400000000, -0.0006023400000000, -0.0001786100000000 ] - [ 0.0008524900000000, 0.0006787300000000, -0.0020483200000000 ] - [ 0.0007578900000000, 0.0003283100000000, -0.0012275200000000 ] - [ 0.0003355500000000, -0.0007266000000000, 0.0030819000000000 ] - [ 0.0021646300000000, 0.0008455400000000, 0.0045815300000000 ] - [ -0.0001403800000000, -0.0010047000000000, -0.0010504200000000 ] - [ 0.0008931600000000, 0.0023844500000000, -0.0031756000000000 ] - [ 0.0003611800000000, -0.0004574700000000, -0.0018291400000000 ] - [ 0.0004922300000000, 0.0003196400000000, -0.0015742000000000 ] - [ 0.0015255700000000, -0.0000900300000000, 0.0013776500000000 ] - [ 0.0000663000000000, 0.0001403000000000, -0.0020728400000000 ] - [ -0.0002408700000000, -0.0006216700000000, -0.0012383100000000 ] - [ -0.0003334900000000, -0.0010240500000000, 0.0103853800000000 ] - [ 0.0153942100000000, 0.0013551000000000, 0.0151884400000000 ] - [ 0.0086625500000000, 0.0004075600000000, 0.0058232200000000 ] - [ 0.0013805100000000, -0.0008869200000000, -0.0015501200000000 ] - [ -0.1588529000000000, -0.0057708700000000, 0.0534519800000000 ] - [ 0.0030865300000000, 0.0012399100000000, 0.0013088300000000 ] - [ -0.0002842400000000, 0.0004578400000000, -0.0009962600000000 ] - [ 0.0033839800000000, 0.0011083100000000, -0.0026191200000000 ] - [ -0.0005396200000000, -0.0000611400000000, -0.0015287700000000 ] - [ 0.0005869700000000, 0.0002205800000000, -0.0012766600000000 ] - [ -0.0001004700000000, 0.0007499100000000, -0.0020936600000000 ] - [ 0.0002254700000000, 0.0001395000000000, 0.0042918500000000 ] - [ -0.0025938800000000, -0.0005609000000000, 0.0062532500000000 ] - [ -0.0014485700000000, -0.0005020200000000, -0.0034556500000000 ] - [ 0.0000749300000000, -0.0004768500000000, -0.0015242800000000 ] - [ -0.0005030300000000, 0.0003686400000000, -0.0008752100000000 ] - [ 0.0001464700000000, -0.0004617100000000, -0.0027379600000000 ] - [ 0.0029156900000000, -0.0026089800000000, -0.0013023400000000 ] - [ -0.0014414500000000, 0.0001775000000000, -0.0026397300000000 ] - [ 0.0002409100000000, -0.0011304700000000, -0.0021350500000000 ] - [ -0.0004292700000000, -0.0006137600000000, -0.0022243000000000 ] - [ -0.0001289100000000, -0.0004982500000000, -0.0015961100000000 ] - [ -0.0037976000000000, -0.0002917200000000, 0.0009757700000000 ] - [ 0.0002292500000000, -0.0010287500000000, -0.0016409300000000 ] - [ 0.0041227500000000, -0.0002578100000000, -0.0037419400000000 ] - [ 0.0027141700000000, -0.0013299900000000, 0.0009372300000000 ] - [ 0.0009098200000000, 0.0004640900000000, -0.0027313200000000 ] - [ -0.0008215400000000, -0.0001722000000000, -0.0027147300000000 ] - [ 0.0008322600000000, -0.0001822500000000, -0.0043750400000000 ] - [ 0.0003033700000000, 0.0006596500000000, -0.0018469600000000 ] - [ -0.0003728300000000, 0.0002177700000000, -0.0018491900000000 ] - [ -0.0001027400000000, -0.0002762000000000, -0.0001508100000000 ] - [ -0.0004004900000000, 0.0002259800000000, -0.0017278600000000 ] - [ 0.0004037200000000, -0.0001289900000000, -0.0029876500000000 ] - [ -0.0002838500000000, -0.0014036100000000, -0.0015120800000000 ] - [ -0.0003211100000000, 0.0005846200000000, -0.0014665600000000 ] - [ -0.0013891700000000, -0.0001834200000000, 0.0043430300000000 ] - [ -0.0008550300000000, -0.0056404800000000, 0.0054951700000000 ] - [ -0.0000714100000000, -0.0001153900000000, -0.0021215800000000 ] - [ -0.0037762500000000, 0.0006394400000000, -0.0000390800000000 ] - [ -0.0002288100000000, 0.0007338100000000, -0.0015074200000000 ] - [ -0.0001058900000000, 0.0006255300000000, -0.0017479100000000 ] - [ 0.0387048800000000, 0.0044780800000000, 0.1122619100000000 ] - [ -0.0358789300000000, -0.0839486600000000, 0.0839957600000000 ] - [ -0.0022226100000000, -0.0007245000000000, -0.0051657200000000 ] - [ -0.0004143700000000, 0.0000383600000000, -0.0021196000000000 ] - [ 0.0010802600000000, 0.0016232300000000, -0.0016411600000000 ] - [ -0.0011102400000000, 0.0007820600000000, -0.0024719500000000 ] - [ -0.0016707100000000, 0.0093508200000000, 0.0053718600000000 ] - [ -0.0002902000000000, 0.0005672000000000, -0.0013748900000000 ] - [ 0.0010494600000000, -0.0002380300000000, -0.0015259800000000 ] - [ 0.0005544700000000, -0.0006103500000000, -0.0021543700000000 ]- atom: 34 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ -0.0073123700000000, -0.0106154600000000, -0.0078171400000000 ] - [ -0.0002215000000000, -0.0006612600000000, -0.0022584200000000 ] - [ 0.0017418900000000, -0.0044788900000000, -0.0015379400000000 ] - [ 0.0009753700000000, -0.0020269400000000, 0.0016575600000000 ] - [ -0.0164772700000000, -0.0082568100000000, 0.0009375500000000 ] - [ -0.0000246200000000, -0.0005010400000000, -0.0019181900000000 ] - [ -0.0000401300000000, -0.0006202600000000, -0.0022132200000000 ] - [ -0.0001657600000000, 0.0000266200000000, -0.0024150900000000 ] - [ 0.0007173700000000, 0.0008108200000000, -0.0001086600000000 ] - [ 0.0002900500000000, 0.0002134300000000, -0.0025868400000000 ] - [ 0.0012391000000000, 0.0005390400000000, 0.0052051600000000 ] - [ 0.0034700500000000, -0.0008193100000000, 0.0059137700000000 ] - [ -0.0003628300000000, 0.0003750900000000, -0.0026253900000000 ] - [ -0.0000931700000000, -0.0001503300000000, -0.0021459900000000 ] - [ 0.0019453400000000, 0.0006920800000000, -0.0002510200000000 ] - [ 0.0002303300000000, 0.0000050100000000, -0.0025328200000000 ] - [ -0.0138993200000000, 0.0099934900000000, -0.0013033900000000 ] - [ 0.0014452100000000, -0.0001249000000000, 0.0032564900000000 ] - [ -0.0001116000000000, 0.0001782600000000, -0.0024448400000000 ] - [ 0.0148603900000000, -0.0079272000000000, -0.0098838800000000 ] - [ 0.0211342000000000, -0.0020871500000000, -0.0073602500000000 ] - [ 0.0008287400000000, -0.0014463000000000, -0.0022801900000000 ] - [ -0.0082809300000000, 0.0100016000000000, -0.0088748600000000 ] - [ 0.0022145200000000, 0.0051953100000000, -0.0037109000000000 ] - [ 0.0165724200000000, 0.0098986700000000, -0.0109572700000000 ] - [ 0.0003120400000000, 0.0006402300000000, -0.0031533300000000 ] - [ 0.0002709200000000, 0.0002307000000000, -0.0023868400000000 ] - [ -0.0003251800000000, -0.0011200600000000, -0.0019336400000000 ] - [ 0.0006185000000000, 0.0000205100000000, -0.0027132500000000 ] - [ -0.0002834500000000, 0.0003506100000000, -0.0029041200000000 ] - [ -0.0008095800000000, 0.0006480900000000, -0.0029644000000000 ] - [ 0.0003390900000000, 0.0008289700000000, -0.0044923300000000 ] - [ -0.0012351700000000, -0.0003920700000000, -0.0045460900000000 ] - [ -0.2013191700000000, -0.0043218900000000, 0.3783023500000000 ] - [ 0.0041746000000000, 0.0019593600000000, 0.0272815600000000 ] - [ -0.0002012800000000, -0.0003798400000000, -0.0036092500000000 ] - [ -0.0000232900000000, 0.0024229600000000, -0.0080192700000000 ] - [ 0.0012883100000000, 0.0002176200000000, -0.0035432800000000 ] - [ -0.0016194800000000, 0.0004511000000000, -0.0025929200000000 ] - [ -0.0008530200000000, -0.0000271400000000, -0.0024519600000000 ] - [ 0.0015827000000000, -0.0016084600000000, -0.0046499500000000 ] - [ 0.0016816600000000, 0.0006744000000000, -0.0015789000000000 ] - [ 0.0040624300000000, -0.0007590300000000, -0.0035508400000000 ] - [ -0.0006406000000000, -0.0004208600000000, -0.0038474100000000 ] - [ -0.0025677900000000, 0.0011338200000000, 0.0262590100000000 ] - [ 0.0008286000000000, 0.0005160700000000, 0.0060159100000000 ] - [ -0.0039327700000000, 0.0009865500000000, -0.0024070300000000 ] - [ 0.0000254700000000, 0.0000427700000000, -0.0045295900000000 ] - [ 0.0038730500000000, 0.0002023300000000, -0.0054906400000000 ] - [ 0.0402056300000000, -0.0805003300000000, -0.0848795600000000 ] - [ 0.0010137800000000, -0.0000202700000000, 0.0030138500000000 ] - [ -0.0015502300000000, -0.0001085800000000, 0.0024029600000000 ] - [ 0.0003273000000000, -0.0001497400000000, 0.0019606400000000 ] - [ -0.0002711100000000, 0.0001752000000000, 0.0018833500000000 ] - [ 0.0045341500000000, 0.0005430200000000, -0.0057587900000000 ] - [ 0.0018147400000000, 0.0007566000000000, 0.0008958300000000 ] - [ 0.0001872900000000, 0.0000238600000000, -0.0000535800000000 ] - [ 0.0003446800000000, -0.0005780400000000, 0.0014592700000000 ] - [ -0.0005590600000000, 0.0001754700000000, 0.0012411500000000 ] - [ -0.0013291400000000, 0.0000945100000000, -0.0031176100000000 ] - [ -0.0014435200000000, -0.0010176000000000, -0.0035060200000000 ] - [ -0.0003688000000000, -0.0007346600000000, 0.0019694600000000 ] - [ -0.0016018400000000, -0.0023373100000000, 0.0028428200000000 ] - [ -0.0001660400000000, 0.0009886400000000, 0.0016977700000000 ] - [ -0.0009976400000000, 0.0002383400000000, 0.0014220000000000 ] - [ -0.0006918400000000, -0.0002789200000000, 0.0003703700000000 ] - [ 0.0000650300000000, 0.0003526200000000, 0.0023457900000000 ] - [ 0.0006137800000000, -0.0006886500000000, 0.0021600800000000 ] - [ -0.0001012200000000, 0.0014136600000000, -0.0114834900000000 ] - [ -0.0159384600000000, -0.0011689300000000, -0.0161174200000000 ] - [ -0.0076095600000000, 0.0002349000000000, -0.0057783200000000 ] - [ -0.0006777200000000, 0.0009317800000000, 0.0018961200000000 ] - [ 0.1646976200000000, 0.0067756300000000, -0.0528042400000000 ] - [ -0.0032111000000000, -0.0007298100000000, -0.0015783600000000 ] - [ -0.0001677700000000, 0.0001382700000000, 0.0011167400000000 ] - [ -0.0032420700000000, -0.0015808600000000, 0.0023622200000000 ] - [ 0.0003858800000000, 0.0004752000000000, 0.0006256600000000 ] - [ -0.0001383900000000, 0.0003763500000000, 0.0011560100000000 ] - [ 0.0001554300000000, -0.0013233700000000, 0.0023132600000000 ] - [ 0.0003341500000000, 0.0003398900000000, -0.0043031300000000 ] - [ 0.0020821900000000, 0.0000025900000000, -0.0064256100000000 ] - [ 0.0006359400000000, 0.0001325100000000, 0.0017154800000000 ] - [ -0.0002340200000000, 0.0000152200000000, 0.0017868200000000 ] - [ 0.0003492600000000, -0.0007781600000000, -0.0000383300000000 ] - [ -0.0006621500000000, 0.0021849200000000, 0.0036767600000000 ] - [ -0.0027886700000000, 0.0021190200000000, 0.0015642500000000 ] - [ 0.0018784100000000, -0.0007725300000000, 0.0025103100000000 ] - [ 0.0002994500000000, 0.0006570500000000, 0.0021290200000000 ] - [ -0.0001092700000000, 0.0010883800000000, 0.0022339300000000 ] - [ -0.0005656400000000, 0.0004468100000000, 0.0012441500000000 ] - [ 0.0038631100000000, 0.0008686200000000, -0.0007263000000000 ] - [ -0.0004234500000000, 0.0004975100000000, 0.0017751500000000 ] - [ -0.0042871000000000, -0.0002513900000000, 0.0036983800000000 ] - [ -0.0028754200000000, 0.0017831700000000, -0.0006744900000000 ] - [ -0.0011125200000000, 0.0000401100000000, 0.0027249400000000 ] - [ 0.0003740900000000, -0.0002132100000000, 0.0016415700000000 ] - [ -0.0001345100000000, 0.0001377600000000, 0.0047641300000000 ] - [ 0.0001726400000000, -0.0005055100000000, 0.0016606400000000 ] - [ 0.0011957800000000, 0.0001469600000000, 0.0036014500000000 ] - [ -0.0003470400000000, -0.0003193000000000, 0.0002766900000000 ] - [ 0.0008488900000000, 0.0001585800000000, 0.0028007300000000 ] - [ 0.0001094000000000, -0.0016193200000000, 0.0020748600000000 ] - [ 0.0004387500000000, 0.0009900100000000, 0.0024166800000000 ] - [ -0.0004968400000000, -0.0002205400000000, -0.0002844900000000 ] - [ 0.0009249800000000, 0.0003392500000000, -0.0041606000000000 ] - [ 0.0006807700000000, 0.0061989500000000, -0.0054024400000000 ] - [ -0.0000591300000000, -0.0003822400000000, 0.0018521900000000 ] - [ 0.0039381200000000, -0.0002344100000000, 0.0009741300000000 ] - [ 0.0001739800000000, -0.0001591600000000, 0.0012870900000000 ] - [ -0.0003684500000000, -0.0007813600000000, 0.0019370000000000 ] - [ -0.0408097800000000, -0.0050076700000000, -0.1137291800000000 ] - [ 0.0358250800000000, 0.0797806500000000, -0.0824745800000000 ] - [ 0.0018444400000000, -0.0005854100000000, 0.0042022400000000 ] - [ -0.0005862500000000, 0.0005948100000000, 0.0020966400000000 ] - [ -0.0005644300000000, 0.0001257400000000, 0.0007190100000000 ] - [ 0.0007423500000000, 0.0005265500000000, 0.0015589600000000 ] - [ 0.0005076900000000, -0.0093182600000000, -0.0048260900000000 ] - [ -0.0009063300000000, -0.0006697100000000, 0.0019664900000000 ] - [ -0.0005421800000000, -0.0003210800000000, 0.0016792700000000 ] - [ 0.0004518700000000, -0.0000231000000000, 0.0021802600000000 ]- atom: 35 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ 0.0031703600000000, -0.0095127900000000, -0.0090756700000000 ] - [ -0.0003325000000000, -0.0004389200000000, 0.0001306600000000 ] - [ 0.0046600600000000, 0.0001564700000000, 0.0000947900000000 ] - [ -0.0084300000000000, 0.0001287400000000, -0.0003676200000000 ] - [ 0.0048765600000000, 0.0015899700000000, 0.0006073100000000 ] - [ -0.0000290100000000, -0.0005905700000000, 0.0005865500000000 ] - [ -0.0001279600000000, -0.0004682000000000, 0.0006885300000000 ] - [ -0.0003465800000000, -0.0002016900000000, -0.0000459500000000 ] - [ -0.0006240200000000, 0.0017404700000000, 0.0001053800000000 ] - [ -0.0004247200000000, -0.0000826200000000, -0.0000325000000000 ] - [ -0.0028924500000000, 0.0011061800000000, 0.0008073600000000 ] - [ 0.0043071900000000, 0.0186894200000000, -0.0274405100000000 ] - [ -0.0002062400000000, 0.0005337400000000, -0.0005467800000000 ] - [ 0.0007304400000000, -0.0008314000000000, 0.0002119600000000 ] - [ -0.0052436300000000, -0.0034019900000000, 0.0001004700000000 ] - [ 0.0005934900000000, -0.0003662700000000, 0.0001611300000000 ] - [ 0.0054972300000000, -0.0008991900000000, 0.0002875100000000 ] - [ -0.0019945100000000, -0.0039642500000000, -0.0047204700000000 ] - [ -0.0001857200000000, 0.0000298500000000, -0.0003281300000000 ] - [ 0.0036678600000000, 0.0108066600000000, 0.0113223200000000 ] - [ 0.0334901800000000, 0.0003237600000000, 0.0168858100000000 ] - [ -0.0005791000000000, -0.0008821700000000, 0.0038984300000000 ] - [ 0.0002653600000000, 0.0095529600000000, -0.0089607300000000 ] - [ 0.0041359700000000, -0.0008744400000000, -0.0000802900000000 ] - [ 0.0021685200000000, -0.0115810000000000, 0.0124309500000000 ] - [ 0.0000863600000000, 0.0006055300000000, -0.0002892500000000 ] - [ 0.0003061600000000, 0.0001326600000000, 0.0006109100000000 ] - [ 0.0001922900000000, -0.0002864700000000, -0.0000167100000000 ] - [ -0.0000669800000000, 0.0002616700000000, -0.0000998000000000 ] - [ 0.0006339900000000, 0.0005474700000000, -0.0003863500000000 ] - [ 0.0000007800000000, 0.0003120200000000, -0.0001877600000000 ] - [ 0.0014957400000000, 0.0007894500000000, 0.0012758800000000 ] - [ -0.0025281700000000, 0.0000022200000000, -0.0019893800000000 ] - [ 0.0306480900000000, 0.0016202100000000, 0.0114518400000000 ] - [ -0.4042935300000000, -0.0049512600000000, -0.0239192000000000 ] - [ 0.0001789200000000, -0.0001684500000000, 0.0004775400000000 ] - [ 0.0014633500000000, 0.0014021600000000, -0.0014678900000000 ] - [ 0.0008283700000000, 0.0003171600000000, 0.0000801200000000 ] - [ 0.0000239600000000, 0.0005971700000000, -0.0010228900000000 ] - [ -0.0013186200000000, -0.0012531700000000, -0.0021881200000000 ] - [ 0.0009468000000000, -0.0002176800000000, 0.0022141900000000 ] - [ 0.0002171000000000, 0.0014337600000000, 0.0019533400000000 ] - [ -0.0093433600000000, -0.0000791600000000, -0.0009583100000000 ] - [ -0.0012255500000000, -0.0003296500000000, -0.0000905100000000 ] - [ 0.0035360200000000, 0.0000207000000000, 0.0005919000000000 ] - [ -0.0016747500000000, 0.0023605200000000, 0.0035109500000000 ] - [ 0.0025309200000000, -0.0010061100000000, -0.0026436000000000 ] - [ 0.0001234000000000, 0.0001458100000000, -0.0004728000000000 ] - [ 0.0383473600000000, 0.0148142400000000, -0.0092212000000000 ] - [ -0.0071997600000000, -0.0019092100000000, -0.0018097800000000 ] - [ 0.0004101500000000, 0.0000984500000000, 0.0004616300000000 ] - [ 0.0007221800000000, -0.0004799700000000, -0.0004798200000000 ] - [ -0.0004618000000000, -0.0000789200000000, -0.0006650700000000 ] - [ -0.0000671800000000, 0.0004065300000000, -0.0005562600000000 ] - [ 0.0468430000000000, -0.0376363300000000, -0.0207953600000000 ] - [ -0.0006477100000000, 0.0004062400000000, 0.0009455600000000 ] - [ -0.0008122200000000, 0.0009405100000000, 0.0019656400000000 ] - [ 0.0007847600000000, 0.0001018300000000, -0.0003998100000000 ] - [ -0.0004902000000000, 0.0000835400000000, -0.0008624800000000 ] - [ 0.0030571800000000, 0.0007059000000000, -0.0017513500000000 ] - [ -0.0012274700000000, -0.0006786100000000, -0.0007344700000000 ] - [ -0.0000838800000000, -0.0013622400000000, -0.0006110300000000 ] - [ 0.0000636800000000, 0.0004363000000000, -0.0007442200000000 ] - [ 0.0002593600000000, 0.0002366600000000, -0.0001330800000000 ] - [ -0.0002459600000000, 0.0002758900000000, -0.0000648800000000 ] - [ 0.0061874700000000, 0.0010190300000000, 0.0068748300000000 ] - [ 0.0000976300000000, 0.0002098400000000, -0.0002245500000000 ] - [ 0.0006923200000000, -0.0004224600000000, 0.0007422600000000 ] - [ -0.0026166700000000, -0.0002563400000000, -0.0010956300000000 ] - [ 0.0938914700000000, 0.0149707000000000, 0.1068859400000000 ] - [ 0.1938807000000000, 0.0041866400000000, -0.0542274800000000 ] - [ 0.0021713700000000, 0.0002621100000000, 0.0010104800000000 ] - [ -0.0143135900000000, 0.0007746600000000, 0.0010478900000000 ] - [ 0.0091109800000000, -0.0004460900000000, 0.0017448900000000 ] - [ -0.0009946700000000, 0.0004856100000000, 0.0008470500000000 ] - [ -0.0010377200000000, 0.0034988700000000, -0.0059793400000000 ] - [ -0.0002426300000000, 0.0000106400000000, -0.0001538700000000 ] - [ 0.0025264200000000, 0.0004561700000000, -0.0002681300000000 ] - [ 0.0005279600000000, -0.0005396100000000, 0.0005852200000000 ] - [ -0.0010611300000000, 0.0017387800000000, 0.0008173800000000 ] - [ -0.0005330100000000, -0.0007125700000000, 0.0001286000000000 ] - [ -0.0009357100000000, -0.0003958900000000, -0.0014275600000000 ] - [ -0.0004834900000000, -0.0002504100000000, 0.0000723600000000 ] - [ -0.0005338100000000, 0.0002650400000000, -0.0004837100000000 ] - [ -0.0004687900000000, 0.0000783200000000, -0.0005359000000000 ] - [ -0.0004731100000000, -0.0054830800000000, -0.0062988400000000 ] - [ -0.0015257500000000, -0.0001368000000000, 0.0005134500000000 ] - [ 0.0002407600000000, -0.0002059500000000, 0.0000688200000000 ] - [ -0.0004305400000000, 0.0002177600000000, 0.0000510300000000 ] - [ -0.0002089200000000, -0.0002033200000000, -0.0006480700000000 ] - [ -0.0028829400000000, 0.0003104400000000, 0.0029916400000000 ] - [ -0.0000462600000000, -0.0002188900000000, 0.0000878600000000 ] - [ 0.0020560500000000, -0.0000844000000000, -0.0070595300000000 ] - [ 0.0045095200000000, -0.0032035200000000, -0.0010258300000000 ] - [ -0.0011805500000000, 0.0001943000000000, -0.0005714000000000 ] - [ -0.0001067700000000, -0.0002009700000000, -0.0005428000000000 ] - [ -0.0015875300000000, 0.0002827500000000, 0.0009222300000000 ] - [ 0.0001073500000000, 0.0001034900000000, -0.0000392800000000 ] - [ -0.0001235600000000, 0.0001007200000000, 0.0010282400000000 ] - [ 0.0003140400000000, -0.0000043000000000, 0.0002798100000000 ] - [ 0.0003083100000000, 0.0001922900000000, 0.0006455400000000 ] - [ -0.0011329000000000, -0.0011395800000000, -0.0003186500000000 ] - [ 0.0005953400000000, -0.0000105400000000, 0.0010902800000000 ] - [ 0.0005916400000000, 0.0000168200000000, -0.0012354200000000 ] - [ -0.0043732400000000, -0.0061891900000000, 0.0001539300000000 ] - [ -0.0017916200000000, 0.0012851500000000, 0.0004859900000000 ] - [ -0.0003364700000000, -0.0002338600000000, -0.0001677700000000 ] - [ -0.0015088800000000, 0.0006056100000000, 0.0011405000000000 ] - [ -0.0001824400000000, 0.0003514800000000, 0.0000485100000000 ] - [ -0.0002669000000000, -0.0000993800000000, 0.0001389900000000 ] - [ -0.0161692300000000, -0.0009368700000000, 0.0021546200000000 ] - [ -0.0078211000000000, 0.0021716100000000, -0.0020937500000000 ] - [ 0.0008880400000000, -0.0011782300000000, 0.0029124600000000 ] - [ -0.0006187500000000, 0.0003157700000000, -0.0000899600000000 ] - [ 0.0016260300000000, 0.0006586600000000, -0.0000564100000000 ] - [ -0.0002729000000000, 0.0008272100000000, 0.0004005200000000 ] - [ -0.0025083800000000, -0.0015478900000000, 0.0006042500000000 ] - [ -0.0005072000000000, -0.0000894200000000, 0.0003182800000000 ] - [ 0.0004648300000000, -0.0002769800000000, 0.0000417800000000 ] - [ 0.0003293800000000, -0.0003040500000000, 0.0000095900000000 ]- atom: 35 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ -0.0033997100000000, 0.0088907200000000, 0.0088795700000000 ] - [ 0.0005507300000000, -0.0002757400000000, 0.0003537800000000 ] - [ -0.0041275700000000, -0.0011331100000000, -0.0006864700000000 ] - [ 0.0077885800000000, -0.0009450700000000, -0.0001878800000000 ] - [ -0.0046300100000000, -0.0008612600000000, -0.0000859000000000 ] - [ -0.0002602800000000, -0.0006001100000000, 0.0004102600000000 ] - [ -0.0004040200000000, -0.0004868400000000, -0.0001185000000000 ] - [ 0.0005010200000000, -0.0002953800000000, 0.0001254700000000 ] - [ 0.0004030000000000, -0.0001012500000000, 0.0000441000000000 ] - [ 0.0002791300000000, -0.0002153200000000, -0.0002870500000000 ] - [ 0.0025891800000000, 0.0000938600000000, 0.0001872000000000 ] - [ -0.0036236300000000, -0.0178867100000000, 0.0281299900000000 ] - [ -0.0000079400000000, 0.0001787300000000, 0.0000561200000000 ] - [ -0.0009589500000000, -0.0008022200000000, -0.0000612100000000 ] - [ 0.0055768400000000, 0.0027543800000000, -0.0006832100000000 ] - [ 0.0001284800000000, -0.0004758000000000, 0.0004257900000000 ] - [ -0.0053268100000000, 0.0013816300000000, -0.0002011700000000 ] - [ 0.0017798700000000, 0.0045894100000000, 0.0053496200000000 ] - [ 0.0000366100000000, 0.0004688200000000, 0.0002428500000000 ] - [ -0.0036030300000000, -0.0111595600000000, -0.0110022300000000 ] - [ -0.0334514800000000, -0.0015450200000000, -0.0179657300000000 ] - [ 0.0008292000000000, -0.0007597800000000, -0.0040801300000000 ] - [ -0.0005842600000000, -0.0101379200000000, 0.0083317400000000 ] - [ -0.0042749700000000, 0.0012032300000000, -0.0002355200000000 ] - [ -0.0027706300000000, 0.0125659600000000, -0.0118098400000000 ] - [ 0.0002027500000000, 0.0005854800000000, -0.0007192300000000 ] - [ -0.0001621200000000, 0.0001660100000000, -0.0003064200000000 ] - [ -0.0004364200000000, -0.0003522900000000, 0.0006460300000000 ] - [ 0.0005999700000000, 0.0006912800000000, -0.0004856500000000 ] - [ -0.0003970300000000, 0.0000857400000000, -0.0002466400000000 ] - [ -0.0007278500000000, 0.0005306700000000, -0.0004085500000000 ] - [ -0.0012891700000000, 0.0008462800000000, -0.0014419400000000 ] - [ 0.0033263700000000, -0.0008056900000000, 0.0026405600000000 ] - [ -0.0323201300000000, -0.0009446300000000, -0.0112181900000000 ] - [ 0.4159251300000000, 0.0060942300000000, 0.0150301900000000 ] - [ -0.0003659000000000, -0.0001466800000000, 0.0005114300000000 ] - [ -0.0031163100000000, 0.0004655800000000, -0.0002095100000000 ] - [ 0.0011105200000000, 0.0003302200000000, 0.0000702100000000 ] - [ -0.0008392200000000, 0.0002083400000000, 0.0003845100000000 ] - [ 0.0004851900000000, 0.0004477800000000, 0.0015558000000000 ] - [ 0.0006912200000000, -0.0016446100000000, -0.0005750400000000 ] - [ 0.0014518300000000, 0.0004261400000000, -0.0003238200000000 ] - [ 0.0077359400000000, -0.0017833300000000, -0.0006879100000000 ] - [ -0.0007082400000000, -0.0003189600000000, -0.0000745800000000 ] - [ -0.0016495100000000, -0.0006634300000000, -0.0004025500000000 ] - [ 0.0019104200000000, -0.0026711000000000, -0.0045052200000000 ] - [ -0.0016966600000000, 0.0018067900000000, 0.0032956600000000 ] - [ 0.0000611300000000, 0.0001696800000000, -0.0005307600000000 ] - [ -0.0392753400000000, -0.0158869700000000, 0.0097798400000000 ] - [ 0.0084072900000000, 0.0017733600000000, 0.0011498500000000 ] - [ 0.0003122500000000, 0.0000691700000000, 0.0006350200000000 ] - [ -0.0005150700000000, -0.0000271900000000, 0.0004968000000000 ] - [ -0.0002578500000000, -0.0000895900000000, -0.0004230800000000 ] - [ 0.0002327600000000, 0.0000522500000000, 0.0003027200000000 ] - [ -0.0470126300000000, 0.0376175900000000, 0.0207859800000000 ] - [ 0.0010190200000000, 0.0009007200000000, -0.0000346600000000 ] - [ 0.0007684300000000, -0.0015330700000000, -0.0022215400000000 ] - [ 0.0004125800000000, 0.0000003600000000, -0.0001865800000000 ] - [ 0.0006788800000000, 0.0004217700000000, 0.0008874000000000 ] - [ -0.0040972200000000, -0.0013493000000000, 0.0017342700000000 ] - [ 0.0019267900000000, 0.0005065000000000, 0.0018072000000000 ] - [ -0.0004325000000000, -0.0003735600000000, 0.0015324500000000 ] - [ -0.0007515200000000, -0.0003728700000000, 0.0003789200000000 ] - [ -0.0000662900000000, 0.0002938000000000, 0.0000050200000000 ] - [ -0.0002640400000000, 0.0002809700000000, -0.0000862800000000 ] - [ -0.0053988600000000, -0.0013868100000000, -0.0051544500000000 ] - [ 0.0000375100000000, 0.0002896500000000, 0.0005011600000000 ] - [ -0.0003231300000000, -0.0008877700000000, 0.0001676600000000 ] - [ 0.0021711700000000, 0.0006376400000000, 0.0000170400000000 ] - [ -0.0931155200000000, -0.0142220700000000, -0.1036230100000000 ] - [ -0.2045929500000000, -0.0044098200000000, 0.0589686800000000 ] - [ -0.0014794700000000, -0.0001960200000000, -0.0006422700000000 ] - [ 0.0147694500000000, -0.0002201800000000, -0.0009502200000000 ] - [ -0.0092629300000000, 0.0009350100000000, -0.0020119900000000 ] - [ 0.0005640700000000, 0.0001155800000000, -0.0007387400000000 ] - [ 0.0011786600000000, -0.0039891700000000, 0.0057596100000000 ] - [ 0.0000835300000000, 0.0003997100000000, -0.0007539200000000 ] - [ -0.0020793400000000, 0.0001367400000000, 0.0001258200000000 ] - [ -0.0004638400000000, -0.0000422500000000, -0.0003612200000000 ] - [ 0.0015832500000000, -0.0012827500000000, -0.0008272500000000 ] - [ 0.0000679600000000, 0.0001497100000000, -0.0002927500000000 ] - [ 0.0001222300000000, 0.0000284300000000, -0.0003196500000000 ] - [ 0.0003234500000000, -0.0002095000000000, 0.0001899400000000 ] - [ 0.0003986700000000, -0.0006663000000000, -0.0004483800000000 ] - [ -0.0000354000000000, 0.0016637800000000, 0.0014430300000000 ] - [ 0.0005821700000000, 0.0050182800000000, 0.0065961000000000 ] - [ 0.0019808900000000, -0.0004609300000000, -0.0006367500000000 ] - [ 0.0002973600000000, -0.0002665900000000, -0.0000699700000000 ] - [ -0.0001063500000000, 0.0002565900000000, -0.0000458900000000 ] - [ -0.0004929200000000, 0.0001489100000000, 0.0002971400000000 ] - [ 0.0029205400000000, 0.0002608200000000, -0.0027658200000000 ] - [ -0.0001500500000000, -0.0003055900000000, 0.0000480200000000 ] - [ -0.0022460000000000, -0.0004273900000000, 0.0071172100000000 ] - [ -0.0046773800000000, 0.0036916900000000, 0.0012970100000000 ] - [ 0.0009756200000000, 0.0003118000000000, 0.0005709700000000 ] - [ -0.0003422900000000, -0.0001828300000000, -0.0005306200000000 ] - [ 0.0022792100000000, -0.0003375700000000, -0.0005371300000000 ] - [ 0.0003678600000000, 0.0000537900000000, -0.0001506800000000 ] - [ 0.0009454800000000, 0.0002674600000000, 0.0007248600000000 ] - [ -0.0007800500000000, -0.0005954400000000, -0.0001585300000000 ] - [ 0.0001396900000000, 0.0001915200000000, 0.0004313800000000 ] - [ 0.0016466000000000, -0.0006021700000000, -0.0005815200000000 ] - [ -0.0004335300000000, -0.0003952300000000, -0.0001826400000000 ] - [ -0.0014210000000000, 0.0003553000000000, -0.0005152000000000 ] - [ 0.0038750000000000, 0.0063475500000000, 0.0000289100000000 ] - [ 0.0016041600000000, -0.0007290400000000, -0.0003599800000000 ] - [ 0.0002049100000000, -0.0002657500000000, -0.0001010400000000 ] - [ 0.0016530100000000, -0.0001902700000000, -0.0002430200000000 ] - [ 0.0001210600000000, 0.0002271100000000, -0.0002719500000000 ] - [ -0.0002075800000000, -0.0000598500000000, 0.0000547400000000 ] - [ 0.0162816400000000, 0.0005349400000000, -0.0010860400000000 ] - [ 0.0080139000000000, -0.0026697100000000, 0.0018901100000000 ] - [ -0.0012203200000000, -0.0001300600000000, -0.0038178900000000 ] - [ -0.0003804900000000, 0.0003145700000000, 0.0000677600000000 ] - [ -0.0011197600000000, 0.0010701500000000, -0.0008526000000000 ] - [ -0.0001069400000000, 0.0004813700000000, -0.0013234300000000 ] - [ 0.0013107900000000, 0.0016117200000000, -0.0000231800000000 ] - [ -0.0006928800000000, -0.0000166300000000, 0.0002739600000000 ] - [ 0.0000418700000000, -0.0002800900000000, 0.0001132600000000 ] - [ 0.0006704200000000, -0.0003251700000000, 0.0000199600000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0206429400000000, -0.0008561700000000, 0.0152077400000000 ] - [ 0.0000694300000000, -0.0005137800000000, 0.0002335400000000 ] - [ 0.0011775300000000, 0.0007977400000000, 0.0006570500000000 ] - [ 0.0124659300000000, 0.0204922900000000, 0.0126360700000000 ] - [ 0.0002476300000000, 0.0004534100000000, 0.0003060500000000 ] - [ -0.0001449200000000, -0.0005411200000000, 0.0004721800000000 ] - [ -0.0003535600000000, -0.0004460500000000, 0.0001113700000000 ] - [ 0.0000182500000000, 0.0001295500000000, -0.0001844700000000 ] - [ -0.0001374700000000, 0.0032492100000000, -0.0013371900000000 ] - [ -0.0001983400000000, -0.0000823600000000, -0.0003629800000000 ] - [ -0.0009072600000000, 0.0115236000000000, -0.0014259800000000 ] - [ 0.0075981900000000, -0.0000201400000000, -0.0057373400000000 ] - [ -0.0000515800000000, 0.0003265700000000, -0.0003952800000000 ] - [ -0.0002015600000000, -0.0003772400000000, -0.0000031900000000 ] - [ -0.0113534300000000, 0.0089177000000000, -0.0202514800000000 ] - [ 0.0005318200000000, -0.0004145000000000, 0.0000714800000000 ] - [ 0.0005159400000000, 0.0001174700000000, -0.0000800100000000 ] - [ -0.0018811300000000, 0.0005666600000000, 0.0019082100000000 ] - [ -0.0001246200000000, 0.0002603700000000, -0.0001203000000000 ] - [ 0.0029831300000000, 0.0004342900000000, 0.0047692900000000 ] - [ 0.0021963800000000, -0.0062094900000000, 0.0013373500000000 ] - [ -0.0002928100000000, -0.0044212100000000, 0.0015879700000000 ] - [ 0.0206212900000000, 0.0019742600000000, -0.0130070800000000 ] - [ -0.0008316200000000, 0.0020573900000000, -0.0002261800000000 ] - [ -0.0037900900000000, -0.0043796200000000, -0.0032616000000000 ] - [ 0.0001620000000000, 0.0005742100000000, -0.0005729500000000 ] - [ 0.0000555800000000, -0.0000267000000000, 0.0001677200000000 ] - [ -0.0000444000000000, -0.0005172000000000, 0.0004292200000000 ] - [ 0.0002645400000000, 0.0005472300000000, -0.0003358000000000 ] - [ 0.0001368300000000, 0.0002867600000000, -0.0004099800000000 ] - [ -0.0003294000000000, 0.0004646400000000, -0.0003758500000000 ] - [ 0.0003471500000000, 0.0007818000000000, 0.0000529000000000 ] - [ 0.0032870200000000, -0.0024811000000000, -0.0007612100000000 ] - [ 0.0016234700000000, -0.0004033800000000, -0.0007849500000000 ] - [ -0.0076368700000000, -0.4323002300000000, 0.0115534200000000 ] - [ -0.0000830000000000, -0.0001774400000000, 0.0003628700000000 ] - [ -0.0010780600000000, -0.0010532800000000, -0.0003648000000000 ] - [ 0.0009698900000000, 0.0003979100000000, -0.0000431600000000 ] - [ -0.0003141300000000, 0.0004318200000000, -0.0005457200000000 ] - [ -0.0016422100000000, 0.0112473100000000, 0.0019509100000000 ] - [ 0.0008840900000000, -0.0001395500000000, 0.0006044200000000 ] - [ 0.0002259100000000, 0.0019254700000000, 0.0006390100000000 ] - [ -0.0014100400000000, -0.0021670600000000, -0.0002875700000000 ] - [ -0.0009922800000000, -0.0003817200000000, -0.0003372800000000 ] - [ 0.0011407000000000, 0.0054364100000000, -0.0006232700000000 ] - [ 0.0025673200000000, 0.0032134200000000, -0.0014995200000000 ] - [ 0.0004613200000000, 0.0001017300000000, -0.0000329500000000 ] - [ 0.0001050500000000, 0.0001596100000000, -0.0006115800000000 ] - [ 0.0112626100000000, 0.1569753100000000, -0.0952413800000000 ] - [ 0.0010950700000000, 0.0004707300000000, -0.0005325000000000 ] - [ 0.0003965800000000, 0.0000748900000000, 0.0006406100000000 ] - [ 0.0000810200000000, -0.0006113000000000, 0.0000259400000000 ] - [ -0.0003211600000000, -0.0000782300000000, -0.0004563600000000 ] - [ 0.0001117200000000, 0.0003163800000000, -0.0001087100000000 ] - [ -0.0332359100000000, 0.1774988000000000, 0.0736253300000000 ] - [ 0.0002290600000000, 0.0005411200000000, 0.0005663800000000 ] - [ 0.0021418800000000, -0.0091042100000000, -0.0096119600000000 ] - [ 0.0006387500000000, 0.0000922400000000, -0.0002003500000000 ] - [ 0.0003079700000000, -0.0004997200000000, -0.0002948500000000 ] - [ -0.0033975600000000, -0.0079993400000000, 0.0019209300000000 ] - [ -0.0000475600000000, -0.0017079900000000, 0.0003912400000000 ] - [ -0.0001519800000000, -0.0014358700000000, 0.0001334800000000 ] - [ 0.0002138500000000, -0.0005655800000000, 0.0003025000000000 ] - [ 0.0001435200000000, 0.0002741300000000, 0.0000769600000000 ] - [ -0.0002830100000000, 0.0002543400000000, -0.0000277600000000 ] - [ 0.0007854300000000, 0.0007039300000000, 0.0006981000000000 ] - [ 0.0000490200000000, 0.0002149000000000, 0.0001299800000000 ] - [ 0.0001867900000000, -0.0029262100000000, -0.0001251700000000 ] - [ -0.0003205900000000, -0.0003515900000000, -0.0003494900000000 ] - [ 0.0114576500000000, 0.0384829500000000, 0.0192488400000000 ] - [ 0.0098957600000000, 0.0309571600000000, -0.0060054600000000 ] - [ 0.0005869300000000, 0.0001466300000000, 0.0000852000000000 ] - [ -0.0004258000000000, 0.0001046300000000, 0.0000651300000000 ] - [ 0.0008669600000000, -0.0012283100000000, 0.0056566000000000 ] - [ 0.0006911600000000, -0.0019445000000000, -0.0006984300000000 ] - [ 0.0068290200000000, 0.0024429200000000, 0.0008459000000000 ] - [ -0.0000793900000000, 0.0001863100000000, -0.0003901400000000 ] - [ -0.0002005400000000, 0.0036694100000000, 0.0037203300000000 ] - [ -0.0005094400000000, -0.0001514400000000, 0.0003667300000000 ] - [ 0.0003416100000000, -0.0009364600000000, 0.0005535000000000 ] - [ -0.0000103500000000, -0.0062909700000000, -0.0004769800000000 ] - [ -0.0003891300000000, -0.0003030800000000, -0.0007575400000000 ] - [ -0.0000750900000000, -0.0001439100000000, 0.0000642600000000 ] - [ -0.0020207400000000, -0.0093814200000000, 0.0061002300000000 ] - [ -0.0005163900000000, 0.0004945000000000, 0.0002070900000000 ] - [ -0.0074029500000000, 0.0012733900000000, -0.0025148000000000 ] - [ 0.0000394200000000, -0.0002373400000000, 0.0000556800000000 ] - [ 0.0002181700000000, -0.0001611000000000, 0.0000990800000000 ] - [ -0.0002701200000000, 0.0002778300000000, 0.0000756000000000 ] - [ -0.0002698700000000, -0.0003702900000000, -0.0001840200000000 ] - [ -0.0003247700000000, 0.0005479300000000, 0.0003472400000000 ] - [ -0.0001021600000000, -0.0002855000000000, 0.0001111500000000 ] - [ 0.0000903200000000, -0.0007682400000000, -0.0013692500000000 ] - [ -0.0001897800000000, -0.0025883200000000, -0.0018973400000000 ] - [ 0.0002419500000000, 0.0007745200000000, 0.0000721700000000 ] - [ -0.0002184400000000, -0.0001668500000000, -0.0005122100000000 ] - [ -0.0000413200000000, 0.0014556600000000, -0.0009062000000000 ] - [ 0.0002265000000000, 0.0000518300000000, -0.0000348400000000 ] - [ 0.0002705300000000, 0.0004386700000000, 0.0007697800000000 ] - [ -0.0002415800000000, -0.0007620900000000, 0.0000669900000000 ] - [ 0.0002641800000000, 0.0002139400000000, 0.0006471900000000 ] - [ 0.0005110100000000, -0.0003527600000000, 0.0002993700000000 ] - [ -0.0002825500000000, 0.0010730200000000, 0.0007185200000000 ] - [ 0.0000535700000000, -0.0024854300000000, -0.0001946700000000 ] - [ -0.0008002200000000, 0.0004549600000000, 0.0004801800000000 ] - [ 0.0023282100000000, -0.0023072200000000, 0.0007207600000000 ] - [ -0.0000424000000000, -0.0003685500000000, -0.0000795100000000 ] - [ 0.0000643200000000, 0.0003073300000000, 0.0005114000000000 ] - [ -0.0000559600000000, 0.0002464500000000, -0.0000170300000000 ] - [ -0.0002113000000000, -0.0001736400000000, 0.0001619100000000 ] - [ -0.0004563100000000, 0.0096321200000000, 0.0010630700000000 ] - [ -0.0022625000000000, 0.0016335400000000, 0.0005141200000000 ] - [ -0.0013844900000000, 0.0052323700000000, -0.0003154800000000 ] - [ -0.0005277600000000, 0.0003166300000000, 0.0000559400000000 ] - [ 0.0003145600000000, 0.0016625700000000, 0.0002112400000000 ] - [ -0.0001520700000000, 0.0007263300000000, -0.0003932400000000 ] - [ -0.0020131000000000, -0.0018290800000000, -0.0004043600000000 ] - [ -0.0006261800000000, -0.0001017000000000, 0.0003909200000000 ] - [ 0.0002399200000000, -0.0002617200000000, 0.0001508200000000 ] - [ 0.0004707200000000, -0.0002998500000000, 0.0000725300000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0205491100000000, 0.0003498100000000, -0.0153359600000000 ] - [ 0.0001495100000000, -0.0002036900000000, 0.0002627300000000 ] - [ -0.0006517500000000, -0.0017512800000000, -0.0012535100000000 ] - [ -0.0132076400000000, -0.0214321600000000, -0.0133825400000000 ] - [ -0.0000315900000000, 0.0002489100000000, 0.0001988700000000 ] - [ -0.0001454300000000, -0.0006508000000000, 0.0005357200000000 ] - [ -0.0001809000000000, -0.0005100000000000, 0.0004692600000000 ] - [ 0.0001379700000000, -0.0006240800000000, 0.0002747200000000 ] - [ -0.0000897000000000, -0.0016152500000000, 0.0015379200000000 ] - [ 0.0000542100000000, -0.0002182000000000, 0.0000595500000000 ] - [ 0.0006340300000000, -0.0103495100000000, 0.0024513000000000 ] - [ -0.0068957200000000, 0.0009654400000000, 0.0063214700000000 ] - [ -0.0001644800000000, 0.0003887800000000, -0.0000853600000000 ] - [ -0.0000284400000000, -0.0012605100000000, 0.0001631300000000 ] - [ 0.0116093400000000, -0.0095230100000000, 0.0195386600000000 ] - [ 0.0001907600000000, -0.0004297800000000, 0.0005279600000000 ] - [ -0.0003762300000000, 0.0003912000000000, 0.0001473600000000 ] - [ 0.0016245400000000, 0.0000313600000000, -0.0012649900000000 ] - [ -0.0000261900000000, 0.0002344900000000, 0.0000451800000000 ] - [ -0.0028046100000000, -0.0007878900000000, -0.0044317000000000 ] - [ -0.0018247600000000, 0.0050309200000000, -0.0022982300000000 ] - [ 0.0005277000000000, 0.0027864000000000, -0.0017498700000000 ] - [ -0.0207956900000000, -0.0026941600000000, 0.0124281000000000 ] - [ 0.0006916200000000, -0.0017620300000000, -0.0000920300000000 ] - [ 0.0032991600000000, 0.0053968600000000, 0.0038586100000000 ] - [ 0.0001273000000000, 0.0006174100000000, -0.0004242200000000 ] - [ 0.0000885200000000, 0.0003260200000000, 0.0001459300000000 ] - [ -0.0001982000000000, -0.0001188900000000, 0.0002117500000000 ] - [ 0.0002690900000000, 0.0004059800000000, -0.0002352600000000 ] - [ 0.0001035100000000, 0.0003478600000000, -0.0002184100000000 ] - [ -0.0003962400000000, 0.0003780900000000, -0.0002107200000000 ] - [ -0.0001286900000000, 0.0008554000000000, -0.0002107100000000 ] - [ -0.0024689800000000, 0.0016752400000000, 0.0014073100000000 ] - [ -0.0036228100000000, 0.0010480100000000, 0.0006055400000000 ] - [ 0.0033367200000000, 0.4356668200000000, 0.0030427200000000 ] - [ -0.0001035200000000, -0.0001383200000000, 0.0006426000000000 ] - [ -0.0005740600000000, 0.0029130900000000, -0.0012729600000000 ] - [ 0.0009677000000000, 0.0002492100000000, 0.0002120400000000 ] - [ -0.0005269800000000, 0.0003764000000000, -0.0000855800000000 ] - [ 0.0008238200000000, -0.0120667000000000, -0.0026182500000000 ] - [ 0.0007736300000000, -0.0017254400000000, 0.0010436000000000 ] - [ 0.0014284200000000, -0.0000618000000000, 0.0009871900000000 ] - [ -0.0002416600000000, 0.0003234500000000, -0.0013608400000000 ] - [ -0.0009427400000000, -0.0002665000000000, 0.0001884900000000 ] - [ 0.0008579900000000, -0.0060814100000000, 0.0007518000000000 ] - [ -0.0024666700000000, -0.0035250600000000, 0.0005103900000000 ] - [ 0.0003728500000000, 0.0007014000000000, 0.0006747900000000 ] - [ 0.0000804700000000, 0.0001556600000000, -0.0003731700000000 ] - [ -0.0109060900000000, -0.1511816900000000, 0.0890153400000000 ] - [ 0.0001166000000000, -0.0005412700000000, -0.0000425200000000 ] - [ 0.0003226300000000, 0.0000933100000000, 0.0004487400000000 ] - [ 0.0001150500000000, 0.0001064200000000, -0.0000262900000000 ] - [ -0.0004009900000000, -0.0000906100000000, -0.0006447700000000 ] - [ 0.0000505800000000, 0.0001434400000000, -0.0001519500000000 ] - [ 0.0363870500000000, -0.1866924500000000, -0.0795921000000000 ] - [ 0.0001460500000000, 0.0007667700000000, 0.0003480900000000 ] - [ -0.0022030200000000, 0.0085322800000000, 0.0093865500000000 ] - [ 0.0005623200000000, 0.0000110700000000, -0.0003941200000000 ] - [ -0.0001079900000000, 0.0010048200000000, 0.0003159400000000 ] - [ 0.0024480600000000, 0.0073665400000000, -0.0019418700000000 ] - [ 0.0007858500000000, 0.0015397400000000, 0.0007197300000000 ] - [ -0.0003598300000000, -0.0003059300000000, 0.0007847700000000 ] - [ -0.0009175000000000, 0.0006195000000000, -0.0006628600000000 ] - [ 0.0000551100000000, 0.0002536800000000, -0.0002143500000000 ] - [ -0.0002212800000000, 0.0003007000000000, -0.0001265000000000 ] - [ 0.0000276900000000, -0.0010702600000000, 0.0010746600000000 ] - [ 0.0000845800000000, 0.0002826600000000, 0.0001408800000000 ] - [ 0.0001683000000000, 0.0016137400000000, 0.0010114800000000 ] - [ -0.0001325900000000, 0.0007359100000000, -0.0007223200000000 ] - [ -0.0126482100000000, -0.0386709400000000, -0.0211693900000000 ] - [ -0.0080813900000000, -0.0301724100000000, 0.0056785800000000 ] - [ 0.0001073400000000, -0.0000916700000000, 0.0002720000000000 ] - [ 0.0009213100000000, 0.0004550600000000, 0.0000973100000000 ] - [ -0.0009935500000000, 0.0017173100000000, -0.0060035300000000 ] - [ -0.0011170500000000, 0.0025504200000000, 0.0007997400000000 ] - [ -0.0066705000000000, -0.0028916000000000, -0.0011069700000000 ] - [ -0.0000731900000000, 0.0002196500000000, -0.0005202600000000 ] - [ 0.0006538600000000, -0.0030768700000000, -0.0038537400000000 ] - [ 0.0005662900000000, -0.0004245900000000, -0.0001494600000000 ] - [ 0.0002119000000000, 0.0014166200000000, -0.0005644600000000 ] - [ -0.0005517600000000, 0.0057177200000000, 0.0003420600000000 ] - [ -0.0004280900000000, -0.0000652800000000, -0.0009956500000000 ] - [ -0.0000814400000000, -0.0003184900000000, 0.0001890900000000 ] - [ 0.0018854100000000, 0.0089831200000000, -0.0070240300000000 ] - [ 0.0000010700000000, 0.0012543800000000, 0.0007058000000000 ] - [ 0.0075481000000000, -0.0017917800000000, 0.0027968500000000 ] - [ 0.0004177800000000, -0.0003619700000000, -0.0001759800000000 ] - [ 0.0003172100000000, -0.0003185600000000, -0.0001112100000000 ] - [ -0.0002642200000000, 0.0001957800000000, -0.0000779200000000 ] - [ -0.0004256400000000, 0.0003181500000000, -0.0001676600000000 ] - [ 0.0003799700000000, 0.0000201000000000, -0.0001222500000000 ] - [ -0.0000964900000000, -0.0002461800000000, 0.0000171800000000 ] - [ -0.0002864900000000, 0.0002592200000000, 0.0013813300000000 ] - [ 0.0000254400000000, 0.0030592000000000, 0.0021172400000000 ] - [ -0.0004447000000000, -0.0002696400000000, -0.0000845400000000 ] - [ -0.0002326600000000, -0.0002175400000000, -0.0005681300000000 ] - [ 0.0007365200000000, -0.0015145400000000, 0.0012645000000000 ] - [ 0.0002508700000000, 0.0001067200000000, -0.0001625700000000 ] - [ 0.0005458400000000, -0.0000704200000000, 0.0009745400000000 ] - [ -0.0002029400000000, 0.0001646100000000, 0.0000412100000000 ] - [ 0.0001804700000000, 0.0001695200000000, 0.0004178500000000 ] - [ -0.0000013700000000, -0.0013874100000000, -0.0012127500000000 ] - [ 0.0004372200000000, -0.0014853100000000, 0.0001831000000000 ] - [ -0.0008731900000000, 0.0028599000000000, -0.0015401600000000 ] - [ 0.0003392700000000, -0.0003156900000000, -0.0002939400000000 ] - [ -0.0025250200000000, 0.0028196700000000, -0.0005723800000000 ] - [ -0.0000873600000000, -0.0001289600000000, -0.0001994000000000 ] - [ 0.0000894300000000, 0.0001108100000000, 0.0003929300000000 ] - [ 0.0000023500000000, 0.0003355200000000, -0.0002128900000000 ] - [ -0.0002655300000000, 0.0000175300000000, 0.0000247100000000 ] - [ 0.0008885200000000, -0.0100219300000000, -0.0000254800000000 ] - [ 0.0024751500000000, -0.0021956200000000, -0.0006323200000000 ] - [ 0.0010163500000000, -0.0065440100000000, -0.0006062100000000 ] - [ -0.0004738900000000, 0.0003114300000000, -0.0000842700000000 ] - [ 0.0001934200000000, 0.0000605700000000, -0.0011390500000000 ] - [ -0.0002231000000000, 0.0005810600000000, -0.0005263500000000 ] - [ 0.0008085700000000, 0.0019440500000000, 0.0010069200000000 ] - [ -0.0005752600000000, 0.0000020300000000, 0.0001930300000000 ] - [ 0.0002653300000000, -0.0002935700000000, -0.0000045300000000 ] - [ 0.0005332100000000, -0.0003312900000000, -0.0000554600000000 ]- atom: 35 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ -0.0146810300000000, 0.0087623600000000, 0.0091015400000000 ] - [ 0.0009747700000000, -0.0000958000000000, 0.0033340800000000 ] - [ -0.0013396700000000, 0.0002821800000000, -0.0017926200000000 ] - [ 0.0107897600000000, 0.0089293500000000, 0.0032336400000000 ] - [ -0.0008162200000000, 0.0019921900000000, -0.0011644300000000 ] - [ -0.0003828500000000, -0.0006334500000000, 0.0026487200000000 ] - [ -0.0002191400000000, -0.0000827000000000, 0.0021243400000000 ] - [ 0.0008719500000000, -0.0005206100000000, 0.0031428300000000 ] - [ -0.0004293000000000, -0.0001202300000000, 0.0034712800000000 ] - [ 0.0003104000000000, -0.0008381700000000, 0.0026848800000000 ] - [ 0.0020547300000000, 0.0003554200000000, -0.0103612200000000 ] - [ -0.0140582800000000, -0.0150001800000000, 0.0186286000000000 ] - [ -0.0001561100000000, 0.0002139000000000, 0.0024169800000000 ] - [ -0.0012765800000000, -0.0008003000000000, 0.0014475900000000 ] - [ 0.0114168900000000, -0.0073556100000000, 0.0129611100000000 ] - [ -0.0003078200000000, -0.0006432800000000, 0.0031012900000000 ] - [ -0.0014252800000000, -0.0013723900000000, -0.0013344500000000 ] - [ -0.0037352800000000, 0.0055069600000000, 0.0032759300000000 ] - [ -0.0003464000000000, 0.0004744000000000, 0.0026650100000000 ] - [ 0.0071400800000000, 0.0078584900000000, 0.0072045800000000 ] - [ -0.0149518800000000, -0.0009773300000000, -0.0206408300000000 ] - [ 0.0032698000000000, 0.0003950000000000, -0.0004056600000000 ] - [ -0.0175112200000000, -0.0100903900000000, 0.0099101900000000 ] - [ -0.0013360600000000, -0.0008222100000000, -0.0017064700000000 ] - [ 0.0084936200000000, -0.0079550800000000, 0.0072918900000000 ] - [ 0.0000395300000000, 0.0005867000000000, 0.0020029400000000 ] - [ 0.0000338500000000, -0.0001553200000000, 0.0020168400000000 ] - [ -0.0008883400000000, 0.0000010700000000, 0.0027646700000000 ] - [ 0.0005836900000000, 0.0014411500000000, 0.0023202300000000 ] - [ 0.0002426300000000, 0.0003598500000000, 0.0015170600000000 ] - [ -0.0002676500000000, 0.0004476400000000, 0.0020058300000000 ] - [ 0.0009606000000000, 0.0011044900000000, 0.0022313300000000 ] - [ 0.0004178200000000, -0.0001416800000000, 0.0103072500000000 ] - [ -0.0033272600000000, -0.0010270800000000, -0.0258685200000000 ] - [ 0.1720026900000000, 0.0060418900000000, -0.4020788900000000 ] - [ -0.0002319200000000, -0.0000283200000000, 0.0042533700000000 ] - [ -0.0036441500000000, 0.0009944200000000, 0.0013432300000000 ] - [ 0.0008780500000000, 0.0004255800000000, 0.0040293900000000 ] - [ -0.0023220900000000, 0.0005331700000000, 0.0018749400000000 ] - [ -0.0010125000000000, -0.0013307100000000, 0.0060515900000000 ] - [ 0.0018192900000000, -0.0006789300000000, 0.0029952200000000 ] - [ 0.0031837900000000, 0.0005800300000000, 0.0027300100000000 ] - [ 0.0017183400000000, -0.0020435500000000, 0.0079651200000000 ] - [ -0.0009585800000000, -0.0002013200000000, 0.0039786100000000 ] - [ -0.0030677600000000, -0.0000834500000000, -0.0080895800000000 ] - [ 0.0044989500000000, -0.0021990900000000, -0.0118866900000000 ] - [ -0.0017277700000000, 0.0009336600000000, 0.0036982200000000 ] - [ 0.0001042000000000, 0.0002697100000000, 0.0036842600000000 ] - [ -0.0233005700000000, -0.0931085200000000, 0.0961705700000000 ] - [ -0.0047016400000000, -0.0015959300000000, 0.0032303600000000 ] - [ -0.0004175800000000, 0.0001930600000000, -0.0019558400000000 ] - [ -0.0004954200000000, -0.0000346900000000, -0.0019107600000000 ] - [ -0.0009397200000000, -0.0000001900000000, -0.0027062900000000 ] - [ -0.0001101300000000, 0.0002789700000000, -0.0019027000000000 ] - [ -0.0385341300000000, 0.0869548400000000, 0.0738106300000000 ] - [ 0.0006062900000000, 0.0007585800000000, 0.0005473300000000 ] - [ 0.0010466600000000, -0.0020673300000000, -0.0034679600000000 ] - [ 0.0005662500000000, 0.0006559100000000, -0.0020487000000000 ] - [ -0.0002029600000000, 0.0003346900000000, 0.0004222000000000 ] - [ -0.0055895900000000, -0.0021703000000000, 0.0071836000000000 ] - [ 0.0018509600000000, 0.0004957300000000, 0.0049679800000000 ] - [ -0.0009738000000000, -0.0004300900000000, -0.0002223900000000 ] - [ -0.0014160100000000, 0.0005671500000000, -0.0006553800000000 ] - [ 0.0000674500000000, -0.0004622300000000, -0.0018731000000000 ] - [ 0.0004906000000000, 0.0003144100000000, -0.0015964400000000 ] - [ -0.0000920600000000, -0.0005858600000000, -0.0065938500000000 ] - [ -0.0003710200000000, 0.0001026500000000, -0.0016405000000000 ] - [ -0.0010448700000000, -0.0004944000000000, -0.0026719000000000 ] - [ 0.0028990900000000, 0.0001978600000000, 0.0044232600000000 ] - [ 0.0479054100000000, 0.0140167900000000, 0.1076546300000000 ] - [ -0.1448014500000000, -0.0064401400000000, 0.0790908700000000 ] - [ -0.0001638100000000, -0.0016344700000000, -0.0032416200000000 ] - [ 0.0084441400000000, 0.0000938800000000, 0.0038699600000000 ] - [ -0.0015134700000000, 0.0079229800000000, -0.0020695900000000 ] - [ 0.0018908900000000, 0.0006937000000000, -0.0021966900000000 ] - [ -0.0047546000000000, -0.0030962100000000, 0.0047863200000000 ] - [ 0.0002669300000000, -0.0000861800000000, -0.0016392000000000 ] - [ -0.0011784600000000, -0.0004295200000000, -0.0042347000000000 ] - [ 0.0003978800000000, 0.0009334800000000, -0.0029535900000000 ] - [ 0.0009337800000000, -0.0027383500000000, 0.0033251300000000 ] - [ 0.0010705500000000, -0.0002732400000000, 0.0043524200000000 ] - [ -0.0009721800000000, -0.0002923600000000, -0.0023225700000000 ] - [ 0.0004776100000000, -0.0003406100000000, -0.0012871300000000 ] - [ 0.0011366900000000, 0.0023002900000000, -0.0040648000000000 ] - [ -0.0008806400000000, 0.0004362700000000, -0.0002770000000000 ] - [ -0.0039297600000000, 0.0030309100000000, 0.0058784200000000 ] - [ 0.0009161700000000, -0.0001134900000000, -0.0012824600000000 ] - [ 0.0003749600000000, -0.0011806100000000, -0.0023599900000000 ] - [ -0.0002395100000000, -0.0005134700000000, -0.0019996500000000 ] - [ -0.0009087700000000, -0.0003825700000000, -0.0013170000000000 ] - [ 0.0020909900000000, 0.0005075800000000, -0.0013967300000000 ] - [ 0.0002390600000000, -0.0011931300000000, -0.0018801000000000 ] - [ -0.0013031700000000, -0.0005330100000000, -0.0027886000000000 ] - [ -0.0002072600000000, -0.0034210600000000, -0.0000529900000000 ] - [ 0.0002940500000000, 0.0002924900000000, -0.0011963100000000 ] - [ -0.0010818500000000, -0.0001620900000000, -0.0030232100000000 ] - [ 0.0016910000000000, -0.0001666700000000, -0.0003048100000000 ] - [ 0.0004220600000000, 0.0006326100000000, -0.0017756300000000 ] - [ 0.0011933900000000, 0.0001153700000000, -0.0007878700000000 ] - [ 0.0015019600000000, -0.0005139600000000, -0.0014034900000000 ] - [ -0.0004515500000000, 0.0002381100000000, -0.0019170100000000 ] - [ 0.0013368000000000, -0.0005039700000000, -0.0012399300000000 ] - [ 0.0000582300000000, -0.0017485300000000, -0.0023912700000000 ] - [ -0.0027420600000000, 0.0013411400000000, -0.0021008700000000 ] - [ 0.0019673200000000, 0.0060504200000000, 0.0033094800000000 ] - [ 0.0024296400000000, -0.0016403300000000, 0.0021106500000000 ] - [ 0.0001451100000000, -0.0002567700000000, -0.0016630500000000 ] - [ 0.0012744400000000, -0.0001751600000000, -0.0001773200000000 ] - [ 0.0004963100000000, 0.0007150700000000, -0.0015868600000000 ] - [ 0.0000051800000000, 0.0006992400000000, -0.0019469600000000 ] - [ 0.0149390900000000, 0.0001974500000000, 0.0153361200000000 ] - [ -0.0042611900000000, 0.0007737900000000, 0.0044607600000000 ] - [ 0.0017037100000000, -0.0008315600000000, -0.0070269600000000 ] - [ -0.0002196000000000, 0.0000198100000000, -0.0019541000000000 ] - [ -0.0002179400000000, 0.0020222800000000, -0.0032674000000000 ] - [ 0.0002661400000000, 0.0006217300000000, -0.0028967200000000 ] - [ 0.0019562700000000, 0.0019559500000000, 0.0024521400000000 ] - [ -0.0002903900000000, 0.0007039500000000, -0.0016277100000000 ] - [ 0.0008481800000000, -0.0002423100000000, -0.0015859700000000 ] - [ 0.0007216600000000, -0.0006022500000000, -0.0019844400000000 ]- atom: 35 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ 0.0146365800000000, -0.0094248600000000, -0.0092293300000000 ] - [ -0.0007614500000000, -0.0006225700000000, -0.0028467900000000 ] - [ 0.0018834700000000, -0.0012437700000000, 0.0012154900000000 ] - [ -0.0114959500000000, -0.0097634600000000, -0.0037679600000000 ] - [ 0.0010309800000000, -0.0012807800000000, 0.0016475900000000 ] - [ 0.0000939500000000, -0.0005581400000000, -0.0016435300000000 ] - [ -0.0003136500000000, -0.0008714100000000, -0.0015421700000000 ] - [ -0.0007231400000000, 0.0000276300000000, -0.0030607400000000 ] - [ 0.0002058400000000, 0.0017472300000000, -0.0033021000000000 ] - [ -0.0004512600000000, 0.0005339000000000, -0.0029937700000000 ] - [ -0.0023403200000000, 0.0008347800000000, 0.0113050100000000 ] - [ 0.0145980300000000, 0.0156714100000000, -0.0179337500000000 ] - [ -0.0000613900000000, 0.0004973600000000, -0.0029009800000000 ] - [ 0.0010575700000000, -0.0008376800000000, -0.0012835300000000 ] - [ -0.0111910300000000, 0.0067880400000000, -0.0135377800000000 ] - [ 0.0010373600000000, -0.0001987900000000, -0.0025100700000000 ] - [ 0.0015632500000000, 0.0018703500000000, 0.0013814300000000 ] - [ 0.0034750000000000, -0.0048296700000000, -0.0026442600000000 ] - [ 0.0001919500000000, 0.0000254300000000, -0.0027430400000000 ] - [ -0.0069619900000000, -0.0081901600000000, -0.0069494600000000 ] - [ 0.0152866500000000, -0.0002203900000000, 0.0196430600000000 ] - [ -0.0030573000000000, -0.0020420900000000, 0.0002658900000000 ] - [ 0.0173760600000000, 0.0095549900000000, -0.0104775700000000 ] - [ 0.0012096300000000, 0.0011286400000000, 0.0014072400000000 ] - [ -0.0089675600000000, 0.0089360700000000, -0.0067544700000000 ] - [ 0.0002512800000000, 0.0006053700000000, -0.0030056600000000 ] - [ 0.0001111500000000, 0.0004539900000000, -0.0016998700000000 ] - [ 0.0006524000000000, -0.0006395900000000, -0.0021321100000000 ] - [ -0.0000453200000000, -0.0004800300000000, -0.0028974400000000 ] - [ -0.0000024700000000, 0.0002700000000000, -0.0021508700000000 ] - [ -0.0004577400000000, 0.0003980400000000, -0.0026010000000000 ] - [ -0.0007372300000000, 0.0005387100000000, -0.0023953200000000 ] - [ 0.0003731700000000, -0.0006623400000000, -0.0097365600000000 ] - [ 0.0013588100000000, 0.0016873400000000, 0.0259242300000000 ] - [ -0.1675992600000000, -0.0065634400000000, 0.4031037700000000 ] - [ 0.0000477000000000, -0.0002873200000000, -0.0032545500000000 ] - [ 0.0020242500000000, 0.0008708000000000, -0.0029817100000000 ] - [ 0.0010574000000000, 0.0002225800000000, -0.0038673100000000 ] - [ 0.0014859300000000, 0.0002735200000000, -0.0025243200000000 ] - [ 0.0001857900000000, 0.0005230000000000, -0.0066816100000000 ] - [ -0.0001646700000000, -0.0011850300000000, -0.0013695100000000 ] - [ -0.0015284200000000, 0.0012834500000000, -0.0010753200000000 ] - [ -0.0033011400000000, 0.0001678500000000, -0.0095430400000000 ] - [ -0.0009768900000000, -0.0004468100000000, -0.0041334100000000 ] - [ 0.0049689800000000, -0.0005616200000000, 0.0082744000000000 ] - [ -0.0042770700000000, 0.0018845500000000, 0.0108626300000000 ] - [ 0.0025343600000000, -0.0001244200000000, -0.0030557800000000 ] - [ 0.0000832700000000, 0.0000460700000000, -0.0046809800000000 ] - [ 0.0225752000000000, 0.0967805600000000, -0.0983656900000000 ] - [ 0.0059484800000000, 0.0015241000000000, -0.0038201400000000 ] - [ 0.0011374000000000, -0.0000253400000000, 0.0030475700000000 ] - [ 0.0006880700000000, -0.0004706700000000, 0.0019286300000000 ] - [ 0.0002204000000000, -0.0001682900000000, 0.0016103300000000 ] - [ 0.0002704300000000, 0.0001827300000000, 0.0016410400000000 ] - [ 0.0391753500000000, -0.0903003800000000, -0.0747355600000000 ] - [ -0.0002284300000000, 0.0005507100000000, 0.0003780900000000 ] - [ -0.0010837900000000, 0.0014962700000000, 0.0032134200000000 ] - [ 0.0006349400000000, -0.0005526500000000, 0.0014569800000000 ] - [ 0.0003946200000000, 0.0001697200000000, -0.0004137600000000 ] - [ 0.0045663100000000, 0.0015269700000000, -0.0071889300000000 ] - [ -0.0011420300000000, -0.0006646200000000, -0.0038774900000000 ] - [ 0.0004632000000000, -0.0013058500000000, 0.0011281900000000 ] - [ 0.0007147900000000, -0.0005138800000000, 0.0003056700000000 ] - [ 0.0001301300000000, 0.0009919900000000, 0.0017405300000000 ] - [ -0.0009978000000000, 0.0002425100000000, 0.0014417100000000 ] - [ 0.0008933500000000, 0.0002149400000000, 0.0082579900000000 ] - [ 0.0005010600000000, 0.0003962500000000, 0.0019147100000000 ] - [ 0.0014169000000000, -0.0008145500000000, 0.0035795600000000 ] - [ -0.0033359600000000, 0.0001894000000000, -0.0054920200000000 ] - [ -0.0463236100000000, -0.0134823300000000, -0.1070041100000000 ] - [ 0.1389696900000000, 0.0066507100000000, -0.0777647700000000 ] - [ 0.0008490900000000, 0.0016844800000000, 0.0035850000000000 ] - [ -0.0079807200000000, 0.0004662700000000, -0.0037346600000000 ] - [ 0.0013486500000000, -0.0073788800000000, 0.0017983300000000 ] - [ -0.0023364300000000, -0.0000936500000000, 0.0023077200000000 ] - [ 0.0048975700000000, 0.0026336200000000, -0.0050689000000000 ] - [ -0.0004205200000000, 0.0004984900000000, 0.0007324900000000 ] - [ 0.0016567400000000, 0.0010188100000000, 0.0041209400000000 ] - [ -0.0003352200000000, -0.0015161800000000, 0.0031830100000000 ] - [ -0.0003975400000000, 0.0031898500000000, -0.0033053500000000 ] - [ -0.0015527600000000, -0.0002919100000000, -0.0045066000000000 ] - [ 0.0001599700000000, -0.0000749300000000, 0.0005820200000000 ] - [ -0.0006391400000000, -0.0001202100000000, 0.0015435900000000 ] - [ -0.0012696100000000, -0.0027121100000000, 0.0031295400000000 ] - [ 0.0003684100000000, 0.0013062500000000, 0.0012003700000000 ] - [ 0.0040377300000000, -0.0035336800000000, -0.0056300200000000 ] - [ -0.0004563300000000, -0.0004852800000000, 0.0011628600000000 ] - [ 0.0001622500000000, 0.0007070600000000, 0.0023548100000000 ] - [ -0.0002970900000000, 0.0009863600000000, 0.0020008000000000 ] - [ 0.0002133900000000, 0.0003229400000000, 0.0009533900000000 ] - [ -0.0020157700000000, 0.0000735100000000, 0.0016223900000000 ] - [ -0.0004333300000000, 0.0006609300000000, 0.0020081200000000 ] - [ 0.0010769300000000, 0.0000214400000000, 0.0028025000000000 ] - [ 0.0000245300000000, 0.0038841700000000, 0.0003310500000000 ] - [ -0.0004984700000000, 0.0002143600000000, 0.0011766900000000 ] - [ 0.0006359700000000, -0.0002228800000000, 0.0019490800000000 ] - [ -0.0010115500000000, 0.0001195800000000, 0.0006588100000000 ] - [ 0.0000553200000000, -0.0004740400000000, 0.0015810500000000 ] - [ -0.0003879000000000, 0.0002524900000000, 0.0025363900000000 ] - [ -0.0019546200000000, -0.0000866800000000, 0.0015223000000000 ] - [ 0.0008970300000000, 0.0001480600000000, 0.0029826600000000 ] - [ -0.0008384300000000, -0.0012423400000000, 0.0003199200000000 ] - [ 0.0001035200000000, 0.0013463200000000, 0.0033061700000000 ] - [ 0.0019225500000000, -0.0009666600000000, 0.0003372100000000 ] - [ -0.0024479700000000, -0.0058860100000000, -0.0030972500000000 ] - [ -0.0026173600000000, 0.0021852800000000, -0.0019949000000000 ] - [ -0.0002772700000000, -0.0002426000000000, 0.0013876300000000 ] - [ -0.0011046600000000, 0.0005804500000000, 0.0010908300000000 ] - [ -0.0005520500000000, -0.0001393800000000, 0.0013656400000000 ] - [ -0.0004813100000000, -0.0008584500000000, 0.0021383400000000 ] - [ -0.0146590800000000, -0.0005899300000000, -0.0144389500000000 ] - [ 0.0044972300000000, -0.0013316500000000, -0.0045955100000000 ] - [ -0.0020849100000000, -0.0004782800000000, 0.0061743900000000 ] - [ -0.0007825200000000, 0.0006093800000000, 0.0019283600000000 ] - [ 0.0007200900000000, -0.0002765800000000, 0.0023401900000000 ] - [ -0.0006298200000000, 0.0006880300000000, 0.0019730700000000 ] - [ -0.0031523900000000, -0.0018732200000000, -0.0018784100000000 ] - [ -0.0009065600000000, -0.0008046200000000, 0.0022132700000000 ] - [ -0.0003383200000000, -0.0003148600000000, 0.0017366200000000 ] - [ 0.0002784000000000, -0.0000282000000000, 0.0020079600000000 ]- atom: 37 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ -0.0019705000000000, 0.0065092700000000, -0.0067728300000000 ] - [ 0.0050298800000000, 0.0005515500000000, 0.0021996300000000 ] - [ -0.0025456800000000, -0.0007313800000000, 0.0002354300000000 ] - [ 0.0030588100000000, -0.0001948600000000, 0.0001359600000000 ] - [ -0.0003500400000000, 0.0003062900000000, 0.0001304400000000 ] - [ -0.0005922100000000, -0.0004972100000000, 0.0004925800000000 ] - [ 0.0013626100000000, 0.0184562500000000, -0.0221625200000000 ] - [ 0.0051868400000000, -0.0012822700000000, 0.0019286900000000 ] - [ 0.0000367100000000, 0.0008065900000000, -0.0000222300000000 ] - [ 0.0003375200000000, -0.0003806600000000, -0.0001130300000000 ] - [ 0.0004690200000000, 0.0006417500000000, 0.0003187000000000 ] - [ 0.0005590100000000, 0.0004519900000000, 0.0004177000000000 ] - [ -0.0001573200000000, 0.0000011800000000, -0.0008192500000000 ] - [ -0.0030843400000000, -0.0020373200000000, 0.0013607000000000 ] - [ 0.0063384400000000, -0.0004391400000000, -0.0009278900000000 ] - [ 0.0029125700000000, -0.0127642000000000, 0.0137599200000000 ] - [ -0.0004029900000000, 0.0003194000000000, -0.0000921700000000 ] - [ 0.0000763900000000, 0.0002843600000000, 0.0003759700000000 ] - [ -0.0001031600000000, 0.0005765300000000, -0.0006106200000000 ] - [ 0.0001833300000000, -0.0002836000000000, -0.0001754200000000 ] - [ -0.0001543700000000, -0.0020280300000000, 0.0036168400000000 ] - [ 0.0322266300000000, -0.0097865000000000, 0.0179566800000000 ] - [ 0.0010065000000000, -0.0071197700000000, -0.0079026900000000 ] - [ -0.0061825300000000, 0.0046075200000000, 0.0001579900000000 ] - [ -0.0001269800000000, 0.0006095100000000, -0.0000493000000000 ] - [ 0.0013472400000000, 0.0006641700000000, 0.0000966100000000 ] - [ 0.0000040800000000, -0.0182208900000000, -0.0183897700000000 ] - [ 0.0029696300000000, 0.0180946400000000, 0.0077885200000000 ] - [ 0.0007077800000000, 0.0006940600000000, -0.0002251700000000 ] - [ -0.0003286600000000, 0.0001947200000000, -0.0005486100000000 ] - [ -0.0009102900000000, 0.0007532500000000, -0.0001736500000000 ] - [ 0.0000160700000000, 0.0008860800000000, -0.0000417500000000 ] - [ 0.0355460600000000, -0.0033262400000000, 0.0096489300000000 ] - [ -0.0036772100000000, 0.0001701700000000, -0.0023656200000000 ] - [ 0.0021970600000000, -0.0000997800000000, -0.0014842600000000 ] - [ -0.0086482000000000, 0.0004278900000000, -0.0010447200000000 ] - [ -0.3262378900000000, 0.0038092100000000, -0.0454296200000000 ] - [ 0.0014200500000000, 0.0002219100000000, -0.0006462200000000 ] - [ -0.0005243400000000, 0.0003619500000000, -0.0006006300000000 ] - [ 0.0026006500000000, -0.0004642700000000, 0.0002843400000000 ] - [ 0.0007185200000000, -0.0009424800000000, 0.0006969800000000 ] - [ -0.0016321400000000, -0.0021777100000000, 0.0070173500000000 ] - [ -0.0005224900000000, -0.0009649400000000, -0.0010892300000000 ] - [ 0.0024003200000000, -0.0007152300000000, -0.0038625300000000 ] - [ 0.0000367700000000, -0.0007924900000000, -0.0012570600000000 ] - [ 0.0002129000000000, -0.0001009400000000, 0.0006856600000000 ] - [ 0.0002236800000000, 0.0004002900000000, -0.0000018900000000 ] - [ -0.0005193400000000, 0.0007628300000000, 0.0018325000000000 ] - [ -0.0028571800000000, 0.0001977700000000, 0.0012833300000000 ] - [ 0.0010742900000000, 0.0001437200000000, 0.0002280400000000 ] - [ -0.0002569200000000, 0.0000858200000000, -0.0004779600000000 ] - [ 0.0000136800000000, -0.0002442500000000, -0.0000475100000000 ] - [ 0.0064259900000000, -0.0001610000000000, 0.0078816400000000 ] - [ 0.0000840400000000, 0.0001688900000000, -0.0003027900000000 ] - [ -0.0013768200000000, -0.0002208000000000, 0.0014789100000000 ] - [ 0.0003481000000000, 0.0006462000000000, 0.0006088700000000 ] - [ -0.0018949700000000, -0.0016414400000000, 0.0002865900000000 ] - [ -0.0031487400000000, 0.0006389200000000, 0.0023763100000000 ] - [ 0.0044941500000000, 0.0026239000000000, -0.0016157800000000 ] - [ -0.0010526300000000, -0.0002814400000000, -0.0005598400000000 ] - [ 0.0008078000000000, -0.0004548200000000, -0.0003329900000000 ] - [ -0.0033658800000000, 0.0075010000000000, -0.0011149500000000 ] - [ -0.0003454100000000, -0.0000357200000000, -0.0000574900000000 ] - [ -0.0040068700000000, -0.0002697900000000, 0.0028733800000000 ] - [ 0.0000152900000000, 0.0004415100000000, -0.0001086600000000 ] - [ 0.0003232500000000, -0.0001897200000000, 0.0009410400000000 ] - [ 0.0000923400000000, 0.0003072400000000, -0.0001319700000000 ] - [ -0.0027258600000000, -0.0004453300000000, -0.0001547700000000 ] - [ 0.0002402700000000, 0.0003910400000000, -0.0002894500000000 ] - [ -0.0006751500000000, 0.0001556100000000, -0.0000686200000000 ] - [ -0.0011191200000000, 0.0004095300000000, -0.0003563700000000 ] - [ 0.0001851500000000, 0.0000579000000000, 0.0003500500000000 ] - [ 0.0021003100000000, 0.0003681400000000, -0.0004685100000000 ] - [ -0.0003193800000000, 0.0002185400000000, -0.0000264600000000 ] - [ -0.0001855800000000, -0.0016292800000000, 0.0003160800000000 ] - [ -0.0027461600000000, -0.0048692700000000, -0.0067542500000000 ] - [ -0.0000827800000000, 0.0003332600000000, -0.0002711900000000 ] - [ -0.0146950400000000, 0.0006848900000000, 0.0006582300000000 ] - [ -0.0081654800000000, 0.0031587100000000, -0.0020176000000000 ] - [ 0.0003167300000000, 0.0002824300000000, -0.0003345800000000 ] - [ -0.0005051300000000, -0.0001329700000000, 0.0004952200000000 ] - [ -0.0002699800000000, -0.0001350800000000, -0.0008514300000000 ] - [ 0.0077240700000000, -0.0010915200000000, 0.0002004700000000 ] - [ -0.0019615600000000, 0.0014391100000000, -0.0003581600000000 ] - [ -0.0002336200000000, 0.0009137600000000, 0.0005405500000000 ] - [ 0.0010407400000000, 0.0022574000000000, -0.0028740900000000 ] - [ 0.0004000100000000, -0.0003409600000000, 0.0000431700000000 ] - [ -0.0001380900000000, -0.0019673600000000, -0.0019025800000000 ] - [ 0.0014203400000000, 0.0007741400000000, 0.0014117300000000 ] - [ -0.0016066400000000, -0.0034542200000000, -0.0009114500000000 ] - [ 0.0001172600000000, 0.0003054000000000, 0.0001765200000000 ] - [ -0.0003742300000000, -0.0004276400000000, 0.0003304000000000 ] - [ -0.0002529800000000, -0.0002509500000000, 0.0001964100000000 ] - [ -0.0003191600000000, 0.0002675100000000, 0.0002270100000000 ] - [ 0.1390258300000000, -0.0023894600000000, -0.0462900400000000 ] - [ -0.0011794600000000, -0.0001602900000000, -0.0003073000000000 ] - [ 0.0301972800000000, 0.0050998400000000, -0.0045760800000000 ] - [ 0.0018286700000000, -0.0008306500000000, 0.0009900200000000 ] - [ 0.0935094700000000, 0.0228538300000000, 0.0984423400000000 ] - [ -0.0003490100000000, -0.0002911400000000, 0.0001731700000000 ] - [ 0.0000490000000000, 0.0002265500000000, 0.0016783700000000 ] - [ 0.0323151400000000, -0.0257013700000000, -0.0051663800000000 ] - [ -0.0076415800000000, -0.0030328500000000, -0.0023120000000000 ] - [ -0.0024797100000000, 0.0006002800000000, -0.0027344700000000 ] - [ -0.0001528600000000, -0.0000077300000000, -0.0003381500000000 ] - [ -0.0002353200000000, 0.0005671100000000, 0.0001397100000000 ] - [ 0.0077654100000000, 0.0000194200000000, -0.0002457500000000 ] - [ 0.0001828600000000, 0.0001683800000000, 0.0005501100000000 ] - [ -0.0000049000000000, 0.0001524200000000, 0.0001032900000000 ] - [ -0.0001140500000000, 0.0005341000000000, -0.0011162400000000 ] - [ 0.0018601500000000, -0.0005138000000000, 0.0036426200000000 ] - [ 0.0006112300000000, -0.0005229400000000, 0.0005543100000000 ] - [ -0.0185106000000000, -0.0012943000000000, 0.0049834100000000 ] - [ 0.0005597600000000, 0.0000726500000000, -0.0003732700000000 ] - [ 0.0001449600000000, 0.0008847600000000, -0.0003263600000000 ] - [ -0.0000845500000000, 0.0006513900000000, -0.0001045500000000 ] - [ -0.0004272100000000, 0.0010085900000000, 0.0015119300000000 ] - [ -0.0008791800000000, 0.0001637500000000, 0.0005614900000000 ] - [ -0.0022779400000000, -0.0002548200000000, 0.0004682000000000 ] - [ 0.0032297700000000, -0.0007459600000000, -0.0047523000000000 ]- atom: 37 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ 0.0019094500000000, -0.0071201200000000, 0.0068114400000000 ] - [ -0.0048311400000000, -0.0012773900000000, -0.0017491900000000 ] - [ 0.0030042400000000, -0.0001816800000000, -0.0008826900000000 ] - [ -0.0037942000000000, -0.0006628200000000, -0.0007248600000000 ] - [ 0.0005753200000000, 0.0004114600000000, 0.0003761700000000 ] - [ 0.0003030200000000, -0.0007000000000000, 0.0005263200000000 ] - [ -0.0018950500000000, -0.0193738200000000, 0.0226568000000000 ] - [ -0.0050590900000000, 0.0007998300000000, -0.0018797100000000 ] - [ -0.0002566000000000, 0.0008321700000000, 0.0001894800000000 ] - [ -0.0004800700000000, 0.0000802600000000, -0.0001936500000000 ] - [ -0.0007521400000000, 0.0005469500000000, 0.0006900400000000 ] - [ 0.0001640400000000, 0.0003877000000000, 0.0001892000000000 ] - [ -0.0000615200000000, 0.0007123000000000, 0.0003418800000000 ] - [ 0.0028791500000000, 0.0003108600000000, -0.0011545300000000 ] - [ -0.0060998700000000, -0.0001486300000000, 0.0003023600000000 ] - [ -0.0021036300000000, 0.0118867500000000, -0.0132038100000000 ] - [ 0.0005484900000000, 0.0001745400000000, 0.0001619300000000 ] - [ -0.0003164100000000, 0.0003479300000000, 0.0002648400000000 ] - [ -0.0000524000000000, -0.0000784700000000, 0.0005388800000000 ] - [ -0.0000382100000000, -0.0000142900000000, 0.0004921600000000 ] - [ 0.0004195300000000, 0.0008162100000000, -0.0046025700000000 ] - [ -0.0317554500000000, 0.0080222600000000, -0.0180402800000000 ] - [ -0.0011613100000000, 0.0065186900000000, 0.0075031200000000 ] - [ 0.0059350600000000, -0.0043110300000000, -0.0005363400000000 ] - [ -0.0003977800000000, 0.0003436400000000, 0.0006445400000000 ] - [ -0.0010430100000000, 0.0005267600000000, -0.0010900100000000 ] - [ 0.0001301300000000, 0.0184975000000000, 0.0186488800000000 ] - [ -0.0031219600000000, -0.0186975300000000, -0.0072140000000000 ] - [ -0.0001706700000000, 0.0002625300000000, -0.0003491500000000 ] - [ 0.0005727000000000, 0.0004395000000000, -0.0000745700000000 ] - [ 0.0001890600000000, 0.0000867300000000, -0.0004120700000000 ] - [ 0.0002073800000000, 0.0007558100000000, -0.0001106900000000 ] - [ -0.0350788000000000, 0.0025215700000000, -0.0094045100000000 ] - [ 0.0017559500000000, 0.0004785700000000, 0.0022168600000000 ] - [ -0.0023839100000000, 0.0004051000000000, 0.0025383200000000 ] - [ 0.0084293200000000, -0.0007407800000000, 0.0020624600000000 ] - [ 0.3170091900000000, -0.0004561200000000, 0.0538145500000000 ] - [ 0.0005029200000000, 0.0004277600000000, 0.0008028600000000 ] - [ -0.0003053500000000, 0.0004452000000000, -0.0000317600000000 ] - [ -0.0033760100000000, -0.0003303200000000, -0.0009751500000000 ] - [ 0.0009317000000000, -0.0009194600000000, 0.0009465300000000 ] - [ 0.0032072800000000, 0.0040314200000000, -0.0053779400000000 ] - [ -0.0011244600000000, -0.0008962100000000, -0.0005326700000000 ] - [ -0.0043461300000000, 0.0000641600000000, 0.0037072900000000 ] - [ 0.0019115500000000, 0.0001452300000000, 0.0014031300000000 ] - [ -0.0000423200000000, -0.0002123000000000, -0.0016792900000000 ] - [ 0.0006060000000000, 0.0004058600000000, 0.0006571000000000 ] - [ 0.0007172600000000, -0.0004381700000000, -0.0028320000000000 ] - [ 0.0023299400000000, -0.0006748200000000, -0.0013121400000000 ] - [ 0.0001229800000000, -0.0002512200000000, -0.0008241400000000 ] - [ 0.0009789900000000, 0.0000806300000000, 0.0015759700000000 ] - [ 0.0001876200000000, -0.0002611400000000, 0.0000560400000000 ] - [ -0.0071201200000000, -0.0000045400000000, -0.0089505300000000 ] - [ 0.0000738500000000, 0.0002912700000000, 0.0000367500000000 ] - [ 0.0018652000000000, 0.0000744800000000, -0.0016944900000000 ] - [ 0.0000254100000000, 0.0006630000000000, 0.0003085400000000 ] - [ 0.0018379300000000, 0.0010937200000000, -0.0004997500000000 ] - [ 0.0043714200000000, -0.0005462300000000, -0.0029738400000000 ] - [ -0.0042305200000000, -0.0021038000000000, 0.0016331400000000 ] - [ 0.0000541400000000, -0.0003480300000000, 0.0005293800000000 ] - [ -0.0000733300000000, 0.0002830400000000, 0.0014348300000000 ] - [ 0.0028749300000000, -0.0092067500000000, 0.0020465600000000 ] - [ -0.0003482000000000, 0.0000897100000000, -0.0002999700000000 ] - [ 0.0042254800000000, 0.0008107200000000, -0.0030098200000000 ] - [ -0.0005060100000000, 0.0001170900000000, -0.0000492700000000 ] - [ 0.0004915200000000, -0.0001766800000000, 0.0008010000000000 ] - [ 0.0000365300000000, 0.0001925500000000, 0.0003982800000000 ] - [ 0.0031006000000000, -0.0008635600000000, 0.0010896500000000 ] - [ -0.0006809700000000, -0.0000067100000000, -0.0007715700000000 ] - [ -0.0000565800000000, 0.0000127800000000, -0.0010497600000000 ] - [ 0.0021337900000000, 0.0002293900000000, 0.0003633400000000 ] - [ 0.0005103300000000, -0.0000089400000000, -0.0000016100000000 ] - [ -0.0015933700000000, 0.0001908400000000, 0.0006207200000000 ] - [ 0.0001901000000000, 0.0002799700000000, -0.0002517000000000 ] - [ -0.0003263100000000, 0.0022332100000000, -0.0001779200000000 ] - [ 0.0029211700000000, 0.0043663400000000, 0.0064335900000000 ] - [ -0.0000711800000000, 0.0000733000000000, -0.0006439800000000 ] - [ 0.0152318700000000, -0.0000982100000000, -0.0007384300000000 ] - [ 0.0082355200000000, -0.0037691100000000, 0.0023238600000000 ] - [ 0.0002271400000000, 0.0001933100000000, 0.0003241900000000 ] - [ -0.0000164700000000, -0.0004255300000000, -0.0006426900000000 ] - [ -0.0005461200000000, -0.0002330000000000, -0.0009026100000000 ] - [ -0.0078645600000000, 0.0006041300000000, 0.0000531200000000 ] - [ 0.0018037900000000, -0.0018935200000000, -0.0005360800000000 ] - [ -0.0002738600000000, 0.0008270900000000, 0.0003737700000000 ] - [ -0.0008632800000000, -0.0027316100000000, 0.0031451900000000 ] - [ 0.0000611100000000, -0.0002544900000000, -0.0001703300000000 ] - [ 0.0006603200000000, 0.0014858700000000, 0.0019001600000000 ] - [ -0.0019534500000000, -0.0003094700000000, -0.0014204500000000 ] - [ 0.0009355900000000, 0.0033882100000000, 0.0005618200000000 ] - [ -0.0000581900000000, 0.0002700300000000, 0.0000429700000000 ] - [ 0.0001837600000000, -0.0001028300000000, -0.0001987100000000 ] - [ 0.0000549900000000, -0.0002552000000000, -0.0002171400000000 ] - [ 0.0001601200000000, 0.0001934800000000, 0.0000292900000000 ] - [ -0.1312363000000000, 0.0024228200000000, 0.0421629400000000 ] - [ 0.0007379900000000, -0.0002252400000000, -0.0007585100000000 ] - [ -0.0292784500000000, -0.0043146500000000, 0.0040142900000000 ] - [ -0.0013458300000000, 0.0009974700000000, -0.0011928300000000 ] - [ -0.0944653700000000, -0.0235294400000000, -0.1009895100000000 ] - [ -0.0001037800000000, -0.0003062000000000, -0.0000560000000000 ] - [ 0.0004023300000000, 0.0001597900000000, -0.0006095200000000 ] - [ -0.0313584400000000, 0.0232744700000000, 0.0039073600000000 ] - [ 0.0078067200000000, 0.0026826300000000, 0.0033063700000000 ] - [ 0.0016979800000000, -0.0002472000000000, 0.0010126400000000 ] - [ -0.0003167600000000, 0.0001634300000000, 0.0005239000000000 ] - [ 0.0000166000000000, -0.0000504500000000, 0.0000237100000000 ] - [ -0.0078798900000000, -0.0005059900000000, -0.0000667300000000 ] - [ -0.0000250500000000, 0.0002439800000000, 0.0003545300000000 ] - [ -0.0000493200000000, 0.0004289400000000, -0.0003342400000000 ] - [ -0.0003680000000000, -0.0007007800000000, 0.0013215100000000 ] - [ -0.0014515300000000, 0.0001338900000000, -0.0025949100000000 ] - [ -0.0004170300000000, -0.0000012600000000, -0.0006921500000000 ] - [ 0.0185134400000000, 0.0000013300000000, -0.0059883900000000 ] - [ -0.0015776200000000, 0.0005595600000000, 0.0003470200000000 ] - [ 0.0003648900000000, 0.0008581500000000, -0.0005973100000000 ] - [ -0.0002875600000000, 0.0006585200000000, -0.0008263500000000 ] - [ -0.0007911700000000, -0.0008998800000000, -0.0008908000000000 ] - [ -0.0003121700000000, -0.0002641500000000, 0.0000247800000000 ] - [ 0.0027877900000000, -0.0003019200000000, -0.0003109200000000 ] - [ -0.0022283300000000, 0.0001172600000000, 0.0047281700000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0121388900000000, 0.0016091900000000, -0.0074497000000000 ] - [ 0.0002557600000000, 0.0002475300000000, 0.0004409300000000 ] - [ -0.0074041800000000, 0.0176517000000000, -0.0092322100000000 ] - [ -0.0015399600000000, 0.0016642500000000, -0.0004953700000000 ] - [ 0.0000817000000000, 0.0001038700000000, 0.0005006800000000 ] - [ 0.0001907900000000, 0.0043684200000000, -0.0001900400000000 ] - [ 0.0084772000000000, -0.0044316100000000, -0.0047923500000000 ] - [ 0.0004291900000000, -0.0007224200000000, -0.0001095100000000 ] - [ -0.0001127600000000, 0.0008421600000000, 0.0001375400000000 ] - [ -0.0000197900000000, -0.0000580100000000, -0.0001548300000000 ] - [ -0.0005022600000000, 0.0006478300000000, 0.0007343500000000 ] - [ 0.0003155700000000, 0.0004510100000000, 0.0002510100000000 ] - [ -0.0002211800000000, 0.0004606700000000, -0.0001363900000000 ] - [ 0.0003070900000000, 0.0249621800000000, -0.0098110800000000 ] - [ 0.0015996400000000, -0.0001923700000000, -0.0008081500000000 ] - [ -0.0034173900000000, -0.0082916600000000, -0.0024277800000000 ] - [ 0.0000923200000000, 0.0006116200000000, 0.0000424400000000 ] - [ -0.0001161800000000, 0.0002457200000000, 0.0004201900000000 ] - [ -0.0000272900000000, 0.0001607300000000, -0.0000202200000000 ] - [ 0.0001227800000000, -0.0002594400000000, 0.0001895300000000 ] - [ -0.0018575400000000, -0.0051905000000000, -0.0012329000000000 ] - [ -0.0074652800000000, -0.0058530700000000, -0.0002390400000000 ] - [ -0.0101853100000000, -0.0032518600000000, 0.0080226100000000 ] - [ 0.0145977700000000, 0.0144500400000000, 0.0211514100000000 ] - [ -0.0001488700000000, 0.0005684800000000, 0.0002104900000000 ] - [ 0.0004380200000000, 0.0004953300000000, -0.0002125400000000 ] - [ -0.0063909100000000, 0.0016670400000000, 0.0055819100000000 ] - [ 0.0078177400000000, 0.0072160100000000, 0.0093531100000000 ] - [ 0.0002954300000000, 0.0004165100000000, -0.0003051200000000 ] - [ 0.0001507700000000, 0.0004402600000000, -0.0001820400000000 ] - [ -0.0004129200000000, 0.0002812300000000, -0.0005002200000000 ] - [ 0.0001110100000000, 0.0007860100000000, -0.0000207300000000 ] - [ 0.0034025600000000, -0.0028065000000000, -0.0012227600000000 ] - [ -0.0009004500000000, -0.0008215800000000, -0.0017184900000000 ] - [ 0.0003780100000000, -0.0018276300000000, 0.0008067800000000 ] - [ -0.0009411200000000, -0.0014083400000000, 0.0013107300000000 ] - [ 0.0024950200000000, -0.4779655200000000, 0.0212452000000000 ] - [ 0.0011870200000000, 0.0003269600000000, -0.0001047900000000 ] - [ -0.0003908700000000, 0.0004728900000000, -0.0002445800000000 ] - [ -0.0013782900000000, 0.0045172300000000, -0.0007701100000000 ] - [ 0.0008116900000000, -0.0009908900000000, 0.0008905100000000 ] - [ 0.0039523700000000, 0.0066560900000000, -0.0005020000000000 ] - [ -0.0007893100000000, -0.0009223600000000, -0.0007545900000000 ] - [ -0.0010479500000000, -0.0004720000000000, 0.0000792300000000 ] - [ 0.0009094600000000, 0.0098989000000000, 0.0008223500000000 ] - [ 0.0008047700000000, 0.0006374900000000, 0.0001520600000000 ] - [ 0.0003808500000000, 0.0003857700000000, 0.0003546600000000 ] - [ -0.0004220100000000, 0.0011512600000000, -0.0003659600000000 ] - [ -0.0008268100000000, 0.0007777600000000, -0.0008565200000000 ] - [ 0.0005861100000000, 0.0006238300000000, -0.0000481100000000 ] - [ 0.0004630500000000, -0.0000552000000000, 0.0005796700000000 ] - [ 0.0000898400000000, -0.0002416400000000, -0.0000223800000000 ] - [ -0.0000164200000000, 0.0009769800000000, -0.0014227300000000 ] - [ 0.0000123800000000, 0.0001473200000000, -0.0002650000000000 ] - [ 0.0003629600000000, 0.0005985700000000, 0.0004651800000000 ] - [ 0.0001405300000000, 0.0006799900000000, 0.0003377200000000 ] - [ -0.0007063700000000, -0.0020083400000000, -0.0008538100000000 ] - [ 0.0005892800000000, 0.0002261200000000, -0.0002481600000000 ] - [ -0.0034830600000000, -0.0114009600000000, -0.0007932700000000 ] - [ -0.0005832400000000, -0.0008488600000000, 0.0001432700000000 ] - [ -0.0001340900000000, -0.0016563000000000, -0.0002353000000000 ] - [ 0.0000613900000000, -0.0026238700000000, 0.0003176200000000 ] - [ -0.0003296500000000, -0.0000143200000000, -0.0002229000000000 ] - [ 0.0002300500000000, 0.0008844200000000, -0.0004353900000000 ] - [ -0.0004206400000000, -0.0002280100000000, 0.0000114800000000 ] - [ 0.0003921400000000, -0.0001804400000000, 0.0008381000000000 ] - [ 0.0000548100000000, 0.0003885900000000, 0.0000499200000000 ] - [ 0.0001710200000000, -0.0013142600000000, 0.0009042200000000 ] - [ -0.0004881900000000, -0.0016258600000000, -0.0012499300000000 ] - [ -0.0006015200000000, 0.0003537300000000, -0.0004862000000000 ] - [ 0.0005157000000000, 0.0009862100000000, -0.0001456400000000 ] - [ 0.0003354200000000, 0.0000285700000000, 0.0001422300000000 ] - [ 0.0002750800000000, 0.0013003200000000, 0.0005907500000000 ] - [ -0.0000241800000000, 0.0001632600000000, -0.0002046600000000 ] - [ 0.0007266700000000, -0.0057732300000000, 0.0003175400000000 ] - [ -0.0080839600000000, 0.0056862300000000, -0.0032379000000000 ] - [ -0.0000590200000000, 0.0001153400000000, -0.0005195100000000 ] - [ -0.0006496300000000, 0.0009592500000000, 0.0006134600000000 ] - [ -0.0022769300000000, 0.0024899800000000, 0.0010487100000000 ] - [ 0.0001670800000000, 0.0002183700000000, -0.0002194900000000 ] - [ 0.0007700200000000, -0.0022996300000000, -0.0007329900000000 ] - [ -0.0003966500000000, -0.0001987400000000, -0.0008637400000000 ] - [ -0.0000812700000000, -0.0058377300000000, -0.0030648400000000 ] - [ 0.0025414900000000, -0.0019159500000000, 0.0002867900000000 ] - [ -0.0002644300000000, 0.0009129300000000, 0.0004592800000000 ] - [ 0.0070195900000000, -0.0001431200000000, 0.0022898600000000 ] - [ 0.0002605200000000, -0.0002813500000000, -0.0001032100000000 ] - [ -0.0000397300000000, -0.0006995000000000, -0.0004266600000000 ] - [ -0.0000848600000000, 0.0000924500000000, -0.0003574900000000 ] - [ -0.0019869200000000, -0.0007681700000000, 0.0003346800000000 ] - [ 0.0000751600000000, 0.0002619200000000, 0.0000955000000000 ] - [ -0.0000792400000000, -0.0002262200000000, 0.0000861900000000 ] - [ -0.0001256200000000, -0.0002544600000000, -0.0000250300000000 ] - [ -0.0000647500000000, 0.0002764200000000, 0.0000540600000000 ] - [ -0.0055652300000000, 0.0340921400000000, -0.0007261700000000 ] - [ -0.0002688600000000, -0.0003481600000000, -0.0004103600000000 ] - [ 0.0015209700000000, 0.1483032400000000, -0.1146487100000000 ] - [ 0.0003558300000000, 0.0007765600000000, 0.0000588700000000 ] - [ 0.0226117000000000, 0.0459186800000000, 0.0294140500000000 ] - [ -0.0002175300000000, -0.0003205000000000, 0.0000194200000000 ] - [ 0.0002376600000000, 0.0002459700000000, 0.0003697600000000 ] - [ -0.0268922100000000, 0.2097764800000000, 0.0579656400000000 ] - [ -0.0006159400000000, -0.0004669000000000, 0.0003167800000000 ] - [ -0.0010735000000000, -0.0014073300000000, -0.0012307300000000 ] - [ -0.0003311100000000, -0.0004472900000000, 0.0000505800000000 ] - [ -0.0015001000000000, -0.0063761600000000, 0.0046037500000000 ] - [ -0.0006039400000000, -0.0024280200000000, 0.0101100100000000 ] - [ 0.0001177700000000, 0.0002630500000000, 0.0004437000000000 ] - [ -0.0000323500000000, 0.0003073900000000, -0.0001388100000000 ] - [ 0.0004851100000000, -0.0003946900000000, 0.0004223300000000 ] - [ -0.0007867600000000, 0.0030951900000000, 0.0023465400000000 ] - [ 0.0001165400000000, -0.0003171500000000, 0.0001899700000000 ] - [ -0.0008971300000000, 0.0086730800000000, -0.0002834700000000 ] - [ 0.0001033600000000, -0.0003834400000000, 0.0003855100000000 ] - [ 0.0002374200000000, 0.0008512100000000, -0.0004911200000000 ] - [ -0.0001892100000000, 0.0006792300000000, -0.0005107000000000 ] - [ 0.0027106800000000, -0.0071128800000000, -0.0082388500000000 ] - [ -0.0006613700000000, -0.0001673700000000, 0.0003774400000000 ] - [ 0.0001372200000000, -0.0002163100000000, 0.0000240200000000 ] - [ 0.0009162500000000, -0.0000770200000000, -0.0020390300000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0122901200000000, -0.0020906000000000, 0.0074055300000000 ] - [ -0.0000401600000000, -0.0009507400000000, 0.0000504900000000 ] - [ 0.0079402400000000, -0.0186136500000000, 0.0087627100000000 ] - [ 0.0008124700000000, -0.0025000800000000, -0.0000901700000000 ] - [ 0.0001403600000000, 0.0006067400000000, -0.0000056700000000 ] - [ -0.0004701400000000, -0.0055533500000000, 0.0011431900000000 ] - [ -0.0089725100000000, 0.0033705400000000, 0.0053819500000000 ] - [ -0.0002753300000000, 0.0002102200000000, 0.0001936200000000 ] - [ -0.0001088900000000, 0.0007935600000000, 0.0000169900000000 ] - [ -0.0001232000000000, -0.0002429600000000, -0.0001639400000000 ] - [ 0.0002160800000000, 0.0005391600000000, 0.0002639800000000 ] - [ 0.0004099200000000, 0.0003890300000000, 0.0003388400000000 ] - [ 0.0000017100000000, 0.0002527100000000, -0.0003550000000000 ] - [ -0.0005417600000000, -0.0264549100000000, 0.0099815500000000 ] - [ -0.0013564300000000, -0.0004545400000000, 0.0001765300000000 ] - [ 0.0041027900000000, 0.0073729100000000, 0.0030159300000000 ] - [ 0.0000503100000000, -0.0001159800000000, 0.0000160200000000 ] - [ -0.0001224400000000, 0.0003839200000000, 0.0002093700000000 ] - [ -0.0001262500000000, 0.0003328900000000, -0.0000655900000000 ] - [ 0.0000187700000000, -0.0000462700000000, 0.0001116500000000 ] - [ 0.0021258400000000, 0.0039891700000000, 0.0002244700000000 ] - [ 0.0076167700000000, 0.0042728500000000, 0.0000412800000000 ] - [ 0.0099531700000000, 0.0025183700000000, -0.0085117600000000 ] - [ -0.0146972600000000, -0.0140591700000000, -0.0213201500000000 ] - [ -0.0003798400000000, 0.0003880800000000, 0.0003695400000000 ] - [ -0.0001473500000000, 0.0006926500000000, -0.0007912500000000 ] - [ 0.0065762900000000, -0.0012807400000000, -0.0052750800000000 ] - [ -0.0081619700000000, -0.0078548800000000, -0.0087956400000000 ] - [ 0.0002404800000000, 0.0005356400000000, -0.0002810200000000 ] - [ 0.0000886400000000, 0.0001906700000000, -0.0004544600000000 ] - [ -0.0003124900000000, 0.0005560100000000, -0.0001051200000000 ] - [ 0.0001104800000000, 0.0008525200000000, -0.0001445900000000 ] - [ -0.0025011100000000, 0.0019888300000000, 0.0019154500000000 ] - [ -0.0010261500000000, 0.0014668400000000, 0.0015484000000000 ] - [ -0.0005599900000000, 0.0021372200000000, 0.0001876700000000 ] - [ 0.0007621700000000, 0.0010800400000000, -0.0003006100000000 ] - [ -0.0017659000000000, 0.4723266500000000, -0.0354533600000000 ] - [ 0.0007659800000000, 0.0003179000000000, 0.0002533700000000 ] - [ -0.0004360800000000, 0.0003304600000000, -0.0004101800000000 ] - [ 0.0005000100000000, -0.0053296300000000, 0.0001661800000000 ] - [ 0.0008343800000000, -0.0008762500000000, 0.0007344800000000 ] - [ -0.0022583200000000, -0.0047848100000000, 0.0021546600000000 ] - [ -0.0008564400000000, -0.0009422200000000, -0.0008890700000000 ] - [ -0.0008918700000000, -0.0001789400000000, -0.0002305700000000 ] - [ 0.0010180500000000, -0.0105451000000000, -0.0006532800000000 ] - [ -0.0006194100000000, -0.0009509100000000, -0.0011476800000000 ] - [ 0.0004454400000000, 0.0004179200000000, 0.0002790200000000 ] - [ 0.0005877400000000, -0.0008380300000000, -0.0006412600000000 ] - [ 0.0002896100000000, -0.0012493500000000, 0.0008599700000000 ] - [ 0.0006117300000000, -0.0007233600000000, -0.0005318100000000 ] - [ 0.0002657700000000, 0.0002200200000000, 0.0005249200000000 ] - [ 0.0001064100000000, -0.0002676800000000, 0.0000434000000000 ] - [ -0.0007091000000000, -0.0011438200000000, 0.0002956900000000 ] - [ 0.0001492800000000, 0.0003118400000000, 0.0000081500000000 ] - [ 0.0001134300000000, -0.0007617900000000, -0.0006557100000000 ] - [ 0.0002357500000000, 0.0006252800000000, 0.0005891900000000 ] - [ 0.0006528700000000, 0.0014174700000000, 0.0006188400000000 ] - [ 0.0006122000000000, -0.0001379300000000, -0.0003454300000000 ] - [ 0.0036637100000000, 0.0119233100000000, 0.0007852200000000 ] - [ -0.0004179600000000, 0.0002148500000000, -0.0001682300000000 ] - [ 0.0008578700000000, 0.0014847300000000, 0.0013214300000000 ] - [ -0.0005807100000000, 0.0008650300000000, 0.0005900900000000 ] - [ -0.0003668900000000, 0.0000642100000000, -0.0001256400000000 ] - [ -0.0000312800000000, -0.0003463000000000, 0.0002980800000000 ] - [ -0.0001081500000000, 0.0007807900000000, -0.0001471400000000 ] - [ 0.0004232500000000, -0.0001901400000000, 0.0009117400000000 ] - [ 0.0000776600000000, 0.0001085100000000, 0.0002289000000000 ] - [ 0.0002090800000000, 0.0000019800000000, 0.0000109000000000 ] - [ 0.0000522200000000, 0.0020096000000000, 0.0001998400000000 ] - [ -0.0001235200000000, -0.0001887700000000, -0.0006075200000000 ] - [ 0.0004856100000000, -0.0003577000000000, 0.0001708100000000 ] - [ 0.0003596600000000, 0.0000256300000000, 0.0002169600000000 ] - [ 0.0002329700000000, -0.0007424800000000, -0.0004258700000000 ] - [ -0.0001079300000000, 0.0003308400000000, -0.0000653800000000 ] - [ -0.0011379300000000, 0.0063893100000000, -0.0002137500000000 ] - [ 0.0082278100000000, -0.0061125400000000, 0.0029704800000000 ] - [ -0.0000972900000000, 0.0002952600000000, -0.0003815900000000 ] - [ 0.0011070900000000, -0.0003544800000000, -0.0007379000000000 ] - [ 0.0023277200000000, -0.0030369200000000, -0.0008450800000000 ] - [ 0.0003700100000000, 0.0002530200000000, 0.0002171800000000 ] - [ -0.0012973000000000, 0.0017394700000000, 0.0005888700000000 ] - [ -0.0004145300000000, -0.0001706800000000, -0.0008721600000000 ] - [ -0.0000934300000000, 0.0053716800000000, 0.0033764700000000 ] - [ -0.0026944100000000, 0.0015171000000000, -0.0012087300000000 ] - [ -0.0002450800000000, 0.0008252800000000, 0.0004645400000000 ] - [ -0.0068586600000000, -0.0003665500000000, -0.0020163700000000 ] - [ 0.0001928200000000, -0.0003199300000000, -0.0000119400000000 ] - [ 0.0005874500000000, 0.0002191300000000, 0.0004276100000000 ] - [ -0.0004545100000000, 0.0003750200000000, 0.0003593900000000 ] - [ 0.0012777400000000, 0.0007090700000000, -0.0006953700000000 ] - [ -0.0000166900000000, 0.0003135900000000, 0.0001301500000000 ] - [ -0.0001214800000000, -0.0003016800000000, 0.0000506800000000 ] - [ -0.0000719500000000, -0.0002551200000000, 0.0000145200000000 ] - [ -0.0000979500000000, 0.0001839500000000, 0.0002095000000000 ] - [ 0.0049042300000000, -0.0335111200000000, 0.0010096700000000 ] - [ -0.0001790000000000, -0.0000393900000000, -0.0006586600000000 ] - [ -0.0010496700000000, -0.1535518300000000, 0.1218234200000000 ] - [ 0.0001191200000000, -0.0006119400000000, -0.0002483200000000 ] - [ -0.0216518400000000, -0.0450508300000000, -0.0273725500000000 ] - [ -0.0002391300000000, -0.0002789200000000, 0.0001047500000000 ] - [ 0.0002098100000000, 0.0001369300000000, 0.0007007100000000 ] - [ 0.0256535200000000, -0.1993421800000000, -0.0540212700000000 ] - [ 0.0007603700000000, 0.0000192900000000, 0.0005714100000000 ] - [ 0.0002495700000000, 0.0017710300000000, -0.0005254000000000 ] - [ -0.0001432100000000, 0.0005991700000000, 0.0001413100000000 ] - [ 0.0012910100000000, 0.0068872500000000, -0.0044624100000000 ] - [ 0.0004567800000000, 0.0019210400000000, -0.0103047500000000 ] - [ 0.0000389600000000, 0.0001462700000000, 0.0004664600000000 ] - [ -0.0000248800000000, 0.0002660500000000, -0.0000769200000000 ] - [ -0.0009472200000000, 0.0002392300000000, -0.0002289700000000 ] - [ 0.0012297700000000, -0.0034775400000000, -0.0012654800000000 ] - [ 0.0000765600000000, -0.0002196200000000, -0.0003128500000000 ] - [ 0.0005161300000000, -0.0099818200000000, -0.0006229800000000 ] - [ -0.0010866200000000, 0.0010122800000000, -0.0003905100000000 ] - [ 0.0002723000000000, 0.0008861600000000, -0.0004235300000000 ] - [ -0.0001832800000000, 0.0006280600000000, -0.0004035700000000 ] - [ -0.0039045900000000, 0.0071890800000000, 0.0088187300000000 ] - [ -0.0005421200000000, 0.0000578600000000, 0.0002162200000000 ] - [ 0.0003726300000000, -0.0003434600000000, 0.0001291400000000 ] - [ 0.0000811600000000, -0.0005495400000000, 0.0020510200000000 ]- atom: 37 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ -0.0108563900000000, -0.0068782700000000, 0.0078808900000000 ] - [ -0.0015658300000000, 0.0009319500000000, -0.0017779500000000 ] - [ 0.0090608800000000, -0.0121388600000000, 0.0076059100000000 ] - [ -0.0006682600000000, -0.0022673400000000, -0.0014840200000000 ] - [ 0.0009635100000000, 0.0004945700000000, 0.0029079400000000 ] - [ -0.0003684100000000, -0.0010958800000000, 0.0033512300000000 ] - [ -0.0108558200000000, -0.0187556000000000, 0.0167068700000000 ] - [ -0.0015659600000000, -0.0016239300000000, -0.0020489700000000 ] - [ -0.0002114700000000, 0.0009029400000000, 0.0019866400000000 ] - [ -0.0000764500000000, -0.0001424700000000, 0.0017682200000000 ] - [ -0.0009716100000000, 0.0006448500000000, 0.0023634100000000 ] - [ 0.0004079200000000, 0.0005531700000000, 0.0023389000000000 ] - [ -0.0004404300000000, 0.0007592000000000, 0.0025073400000000 ] - [ 0.0023170600000000, 0.0045824900000000, -0.0145800300000000 ] - [ -0.0007838900000000, 0.0004297800000000, -0.0030452500000000 ] - [ 0.0088145000000000, -0.0075952300000000, 0.0059944200000000 ] - [ 0.0008146300000000, 0.0000576900000000, 0.0027062400000000 ] - [ -0.0001652600000000, 0.0001293700000000, 0.0020931900000000 ] - [ -0.0004772900000000, -0.0000697300000000, 0.0027045500000000 ] - [ -0.0003628100000000, 0.0002261300000000, 0.0025727900000000 ] - [ 0.0029650400000000, 0.0002434300000000, 0.0009957900000000 ] - [ -0.0118556900000000, 0.0048210800000000, -0.0226200300000000 ] - [ -0.0068331400000000, 0.0062851800000000, 0.0050701000000000 ] - [ 0.0069632300000000, 0.0069179300000000, 0.0051652900000000 ] - [ -0.0007830900000000, 0.0000112000000000, 0.0026689600000000 ] - [ 0.0007101600000000, 0.0004434600000000, 0.0018637600000000 ] - [ -0.0089903600000000, 0.0174066500000000, 0.0127213700000000 ] - [ 0.0072959500000000, 0.0111626500000000, -0.0017104300000000 ] - [ 0.0002372900000000, 0.0005890000000000, 0.0015625500000000 ] - [ 0.0005611400000000, 0.0008409000000000, 0.0021531900000000 ] - [ 0.0001334600000000, -0.0003286600000000, 0.0021164100000000 ] - [ 0.0001918600000000, 0.0006744400000000, 0.0020439500000000 ] - [ -0.0089995500000000, -0.0010691700000000, -0.0269985800000000 ] - [ 0.0002921600000000, 0.0006044600000000, 0.0081840900000000 ] - [ -0.0017122700000000, 0.0006744200000000, 0.0032985700000000 ] - [ 0.0036509000000000, -0.0008984200000000, 0.0098738400000000 ] - [ 0.0989170500000000, 0.0277597400000000, -0.3764098700000000 ] - [ -0.0007299000000000, 0.0005291700000000, 0.0020448600000000 ] - [ -0.0004260800000000, 0.0005166100000000, 0.0034103600000000 ] - [ -0.0026931900000000, -0.0002004900000000, -0.0079277800000000 ] - [ 0.0007595300000000, -0.0008556800000000, 0.0041934200000000 ] - [ 0.0074200000000000, 0.0035315400000000, -0.0128904500000000 ] - [ -0.0012103900000000, -0.0009748200000000, 0.0024390800000000 ] - [ -0.0038977700000000, -0.0001042100000000, 0.0036781300000000 ] - [ -0.0001399700000000, -0.0025297800000000, 0.0053609200000000 ] - [ 0.0012730200000000, -0.0003767600000000, 0.0017702000000000 ] - [ 0.0003617300000000, 0.0002867100000000, 0.0042242200000000 ] - [ 0.0013825900000000, 0.0000432000000000, 0.0008669200000000 ] - [ 0.0010808400000000, -0.0005684100000000, -0.0006492300000000 ] - [ 0.0007469400000000, -0.0011953400000000, -0.0027704800000000 ] - [ -0.0001013700000000, 0.0001334600000000, -0.0006976400000000 ] - [ 0.0004133200000000, -0.0001869000000000, -0.0018128900000000 ] - [ -0.0018703300000000, 0.0004075800000000, -0.0096753000000000 ] - [ -0.0000980900000000, 0.0000540300000000, -0.0017241900000000 ] - [ 0.0013306600000000, -0.0000239000000000, -0.0012818200000000 ] - [ -0.0004904400000000, 0.0006632000000000, -0.0019011800000000 ] - [ 0.0016261500000000, 0.0018585700000000, 0.0025840400000000 ] - [ 0.0033248600000000, -0.0006202800000000, -0.0018397100000000 ] - [ -0.0073216400000000, -0.0002214100000000, 0.0060470400000000 ] - [ -0.0006736600000000, -0.0001035000000000, -0.0004277600000000 ] - [ -0.0010689000000000, 0.0001723400000000, -0.0003372300000000 ] - [ 0.0016143600000000, -0.0087844400000000, 0.0058884700000000 ] - [ -0.0002802700000000, 0.0008664900000000, -0.0020276700000000 ] - [ 0.0029025800000000, 0.0009816300000000, -0.0018077700000000 ] - [ 0.0010205400000000, 0.0002364100000000, -0.0013935000000000 ] - [ 0.0000482500000000, -0.0000659700000000, -0.0008244100000000 ] - [ -0.0003252500000000, 0.0004372800000000, -0.0015462000000000 ] - [ 0.0027774100000000, -0.0007559200000000, 0.0044528600000000 ] - [ -0.0012455100000000, 0.0004908400000000, -0.0032343100000000 ] - [ 0.0000165500000000, -0.0000692800000000, -0.0024543000000000 ] - [ 0.0008499300000000, 0.0003762700000000, -0.0012974500000000 ] - [ 0.0004258200000000, -0.0006660700000000, -0.0015235500000000 ] - [ -0.0003547500000000, 0.0000207600000000, -0.0019361700000000 ] - [ 0.0000434900000000, 0.0003255800000000, -0.0016328100000000 ] - [ 0.0001960700000000, -0.0012542300000000, 0.0047749600000000 ] - [ -0.0051518100000000, 0.0015741300000000, 0.0048123500000000 ] - [ -0.0000165700000000, -0.0006167800000000, -0.0021798400000000 ] - [ 0.0098630300000000, 0.0010851700000000, 0.0046717000000000 ] - [ -0.0031212200000000, 0.0002326800000000, 0.0055727600000000 ] - [ -0.0000870800000000, 0.0007415900000000, -0.0014587800000000 ] - [ 0.0015845100000000, -0.0000106500000000, -0.0017066300000000 ] - [ -0.0009783900000000, -0.0003542600000000, -0.0026897200000000 ] - [ -0.0010763800000000, -0.0061843300000000, 0.0008009300000000 ] - [ 0.0017873500000000, -0.0023600600000000, 0.0021721200000000 ] - [ -0.0003133500000000, 0.0005918800000000, -0.0012869400000000 ] - [ -0.0064941900000000, -0.0007845600000000, 0.0017225100000000 ] - [ 0.0007273300000000, -0.0000036500000000, -0.0016738400000000 ] - [ -0.0006034300000000, -0.0007162400000000, 0.0002437300000000 ] - [ -0.0008468700000000, -0.0014379700000000, -0.0037132000000000 ] - [ 0.0003494400000000, 0.0042794200000000, 0.0045777300000000 ] - [ 0.0000710500000000, -0.0003382800000000, -0.0017321400000000 ] - [ 0.0004941700000000, -0.0005930200000000, -0.0011614000000000 ] - [ 0.0002818200000000, -0.0003203900000000, -0.0020065600000000 ] - [ 0.0002610400000000, 0.0002348900000000, -0.0013039600000000 ] - [ -0.1002991600000000, 0.0004866800000000, 0.0691916300000000 ] - [ 0.0002169700000000, -0.0003275300000000, -0.0006121100000000 ] - [ -0.0137016300000000, -0.1135063600000000, 0.1349563000000000 ] - [ -0.0000948600000000, 0.0020282500000000, -0.0031247600000000 ] - [ 0.0405370800000000, 0.0141214500000000, 0.0912457500000000 ] - [ 0.0004447800000000, -0.0005473200000000, -0.0014093400000000 ] - [ 0.0006006400000000, 0.0002139500000000, -0.0018216300000000 ] - [ -0.0182777000000000, 0.0629325900000000, 0.0525822600000000 ] - [ -0.0038923100000000, 0.0009491100000000, 0.0063446300000000 ] - [ 0.0006316400000000, -0.0007154300000000, 0.0034454200000000 ] - [ -0.0005356900000000, -0.0001919700000000, -0.0010894100000000 ] - [ 0.0014785600000000, 0.0034507000000000, -0.0041052400000000 ] - [ -0.0023125400000000, 0.0065811400000000, 0.0020891700000000 ] - [ -0.0000846700000000, 0.0008595000000000, -0.0011954000000000 ] - [ 0.0002235400000000, 0.0011097500000000, -0.0021190000000000 ] - [ -0.0009995900000000, 0.0001230800000000, 0.0002382100000000 ] - [ 0.0007490100000000, -0.0007855200000000, -0.0054928200000000 ] - [ 0.0001776200000000, 0.0008836600000000, -0.0026365400000000 ] - [ 0.0181516400000000, -0.0012686900000000, 0.0106790000000000 ] - [ -0.0015889900000000, 0.0003444200000000, -0.0014946000000000 ] - [ 0.0002254900000000, 0.0010763400000000, -0.0020109700000000 ] - [ -0.0006484500000000, 0.0006528900000000, -0.0028634900000000 ] - [ -0.0003843700000000, -0.0007394900000000, -0.0008581000000000 ] - [ -0.0000333900000000, 0.0001732300000000, -0.0009472200000000 ] - [ 0.0014508100000000, -0.0003079600000000, -0.0009032100000000 ] - [ -0.0012047300000000, -0.0002734300000000, -0.0024023100000000 ]- atom: 37 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ 0.0106584700000000, 0.0062465100000000, -0.0078697400000000 ] - [ 0.0017826800000000, -0.0016445400000000, 0.0022743300000000 ] - [ -0.0085534000000000, 0.0112061500000000, -0.0082616100000000 ] - [ -0.0000802600000000, 0.0014232500000000, 0.0008813000000000 ] - [ -0.0007332700000000, 0.0002236400000000, -0.0024056900000000 ] - [ 0.0000844300000000, -0.0000796800000000, -0.0023530500000000 ] - [ 0.0104783100000000, 0.0179368100000000, -0.0162017000000000 ] - [ 0.0017186200000000, 0.0011242100000000, 0.0021418600000000 ] - [ -0.0000101100000000, 0.0007358800000000, -0.0018259800000000 ] - [ -0.0000678100000000, -0.0001603000000000, -0.0020765700000000 ] - [ 0.0006796200000000, 0.0005437600000000, -0.0013637600000000 ] - [ 0.0003168600000000, 0.0002872700000000, -0.0017465000000000 ] - [ 0.0002277100000000, -0.0000488900000000, -0.0029938200000000 ] - [ -0.0025442500000000, -0.0062657500000000, 0.0148259600000000 ] - [ 0.0009982700000000, -0.0010474300000000, 0.0024095700000000 ] - [ -0.0081338800000000, 0.0067139100000000, -0.0053487900000000 ] - [ -0.0006636900000000, 0.0004358300000000, -0.0026420600000000 ] - [ -0.0000740600000000, 0.0005029600000000, -0.0014613700000000 ] - [ 0.0003282200000000, 0.0005703800000000, -0.0027850700000000 ] - [ 0.0004999000000000, -0.0005257600000000, -0.0022613300000000 ] - [ -0.0026672700000000, -0.0014448400000000, -0.0020263400000000 ] - [ 0.0120107900000000, -0.0064661200000000, 0.0224667900000000 ] - [ 0.0065598700000000, -0.0068860200000000, -0.0055107000000000 ] - [ -0.0070850700000000, -0.0066004500000000, -0.0055527300000000 ] - [ 0.0002500600000000, 0.0009437000000000, -0.0020784200000000 ] - [ -0.0004232700000000, 0.0007477100000000, -0.0028621400000000 ] - [ 0.0092341200000000, -0.0172229600000000, -0.0124384500000000 ] - [ -0.0075252700000000, -0.0117162100000000, 0.0023974000000000 ] - [ 0.0002977400000000, 0.0003696400000000, -0.0021383700000000 ] - [ -0.0003236900000000, -0.0002100400000000, -0.0027868200000000 ] - [ -0.0008610500000000, 0.0011753100000000, -0.0027095500000000 ] - [ 0.0000298800000000, 0.0009670900000000, -0.0022020300000000 ] - [ 0.0097741000000000, 0.0002685500000000, 0.0273341600000000 ] - [ -0.0021824800000000, 0.0000445300000000, -0.0082742000000000 ] - [ 0.0014988700000000, -0.0003643300000000, -0.0022869700000000 ] - [ -0.0038911900000000, 0.0005895700000000, -0.0089284900000000 ] - [ -0.1063371200000000, -0.0208773100000000, 0.3744299600000000 ] - [ 0.0026707000000000, 0.0001187900000000, -0.0018794000000000 ] - [ -0.0003990100000000, 0.0002886700000000, -0.0040542000000000 ] - [ 0.0019013900000000, -0.0006009100000000, 0.0072477000000000 ] - [ 0.0008869600000000, -0.0010048700000000, -0.0025556700000000 ] - [ -0.0058273200000000, -0.0016654500000000, 0.0145522000000000 ] - [ -0.0004377400000000, -0.0008873300000000, -0.0040709500000000 ] - [ 0.0019818700000000, -0.0005466400000000, -0.0038221900000000 ] - [ 0.0020710400000000, 0.0019118800000000, -0.0052096000000000 ] - [ -0.0010920200000000, 0.0000649000000000, -0.0027879600000000 ] - [ 0.0004651200000000, 0.0005194200000000, -0.0035801700000000 ] - [ -0.0012068400000000, 0.0002806400000000, -0.0018492200000000 ] - [ -0.0015967600000000, 0.0000897600000000, 0.0006471900000000 ] - [ 0.0004468200000000, 0.0010868000000000, 0.0021733400000000 ] - [ 0.0008241900000000, 0.0000328800000000, 0.0017888200000000 ] - [ -0.0002132100000000, -0.0003200800000000, 0.0018274400000000 ] - [ 0.0011566000000000, -0.0005744200000000, 0.0086455800000000 ] - [ 0.0002612900000000, 0.0004070700000000, 0.0014646200000000 ] - [ -0.0008333300000000, -0.0001216900000000, 0.0010868600000000 ] - [ 0.0008634800000000, 0.0006451300000000, 0.0028235200000000 ] - [ -0.0016769400000000, -0.0024161000000000, -0.0027910400000000 ] - [ -0.0021288200000000, 0.0007225500000000, 0.0012365400000000 ] - [ 0.0075703400000000, 0.0007368000000000, -0.0060397900000000 ] - [ -0.0003225800000000, -0.0005301900000000, 0.0004137100000000 ] - [ 0.0017913200000000, -0.0003397600000000, 0.0014463100000000 ] - [ -0.0021151700000000, 0.0070549900000000, -0.0049912800000000 ] - [ -0.0004137200000000, -0.0008109900000000, 0.0016724200000000 ] - [ -0.0027137500000000, -0.0004517700000000, 0.0016646100000000 ] - [ -0.0015305600000000, 0.0003203700000000, 0.0012395400000000 ] - [ 0.0007658000000000, -0.0003017000000000, 0.0025686300000000 ] - [ 0.0004578900000000, 0.0000599700000000, 0.0018205400000000 ] - [ -0.0024052600000000, -0.0005541300000000, -0.0035294100000000 ] - [ 0.0008030600000000, -0.0001116700000000, 0.0021747100000000 ] - [ -0.0007292500000000, 0.0002378400000000, 0.0013537900000000 ] - [ 0.0001638300000000, 0.0002562400000000, 0.0013257000000000 ] - [ 0.0002699000000000, 0.0007189000000000, 0.0018784800000000 ] - [ 0.0008429000000000, 0.0005371000000000, 0.0020890000000000 ] - [ -0.0001727800000000, 0.0001733100000000, 0.0013597900000000 ] - [ -0.0006830500000000, 0.0018581800000000, -0.0046515000000000 ] - [ 0.0053398000000000, -0.0020383800000000, -0.0050458200000000 ] - [ -0.0001402000000000, 0.0010302500000000, 0.0012754900000000 ] - [ -0.0093246400000000, -0.0004831900000000, -0.0047623900000000 ] - [ 0.0031429500000000, -0.0007933600000000, -0.0053289600000000 ] - [ 0.0006258600000000, -0.0002683600000000, 0.0014598400000000 ] - [ -0.0021021800000000, -0.0005540400000000, 0.0015602800000000 ] - [ 0.0001641600000000, -0.0000126300000000, 0.0009439100000000 ] - [ 0.0009399000000000, 0.0057146600000000, -0.0005671700000000 ] - [ -0.0019417500000000, 0.0019197500000000, -0.0030566300000000 ] - [ -0.0001946500000000, 0.0011478800000000, 0.0022042800000000 ] - [ 0.0066796400000000, 0.0002831700000000, -0.0014098000000000 ] - [ -0.0002716200000000, -0.0005949400000000, 0.0015542900000000 ] - [ 0.0011369400000000, 0.0002284600000000, -0.0002617500000000 ] - [ 0.0003158400000000, 0.0019145100000000, 0.0037275400000000 ] - [ -0.0010365700000000, -0.0043577900000000, -0.0049588400000000 ] - [ -0.0000143700000000, 0.0009151700000000, 0.0019556100000000 ] - [ -0.0006900400000000, 0.0000604100000000, 0.0012901900000000 ] - [ -0.0004775900000000, -0.0001862500000000, 0.0019894000000000 ] - [ -0.0004201200000000, 0.0002252000000000, 0.0015652500000000 ] - [ 0.1060972100000000, -0.0003307600000000, -0.0712342800000000 ] - [ -0.0006651000000000, -0.0000567800000000, -0.0004639200000000 ] - [ 0.0151827100000000, 0.1082176700000000, -0.1310243400000000 ] - [ 0.0005769200000000, -0.0018748600000000, 0.0029417600000000 ] - [ -0.0414526400000000, -0.0142255400000000, -0.0905456700000000 ] - [ -0.0009011400000000, -0.0000500000000000, 0.0015324700000000 ] - [ -0.0001654700000000, 0.0001709500000000, 0.0028912300000000 ] - [ 0.0190881600000000, -0.0636194300000000, -0.0537876700000000 ] - [ 0.0040074100000000, -0.0013545600000000, -0.0053976700000000 ] - [ -0.0014226400000000, 0.0010743800000000, -0.0051778100000000 ] - [ 0.0000599400000000, 0.0003525400000000, 0.0012893700000000 ] - [ -0.0017173700000000, -0.0029348100000000, 0.0042813300000000 ] - [ 0.0022073700000000, -0.0071235300000000, -0.0023858800000000 ] - [ 0.0002395000000000, -0.0004464700000000, 0.0021023000000000 ] - [ -0.0002809400000000, -0.0005335700000000, 0.0018988100000000 ] - [ 0.0005296700000000, -0.0002813200000000, -0.0000503200000000 ] - [ -0.0003040000000000, 0.0003983600000000, 0.0064896800000000 ] - [ 0.0000117000000000, -0.0014068800000000, 0.0024967800000000 ] - [ -0.0182378200000000, -0.0000484700000000, -0.0114114600000000 ] - [ 0.0005959200000000, 0.0002834600000000, 0.0014717900000000 ] - [ 0.0002840200000000, 0.0006634000000000, 0.0010939100000000 ] - [ 0.0002763500000000, 0.0006559900000000, 0.0019455800000000 ] - [ -0.0008304800000000, 0.0008201800000000, 0.0014567800000000 ] - [ -0.0011659500000000, -0.0002727600000000, 0.0015320500000000 ] - [ -0.0009427100000000, -0.0002485500000000, 0.0010526400000000 ] - [ 0.0022302800000000, -0.0003596600000000, 0.0024101000000000 ]- atom: 49 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ 0.0007276300000000, 0.0025037500000000, 0.0009172400000000 ] - [ 0.0004205900000000, -0.0004843900000000, 0.0004635900000000 ] - [ -0.0015206000000000, -0.0005737900000000, -0.0001581100000000 ] - [ 0.0013886000000000, -0.0004236800000000, -0.0004921500000000 ] - [ -0.0012770700000000, 0.0000784300000000, -0.0000330700000000 ] - [ -0.0002049500000000, -0.0005788800000000, 0.0004281200000000 ] - [ -0.0004363500000000, -0.0004674700000000, -0.0001002200000000 ] - [ 0.0004731700000000, -0.0000849200000000, 0.0001360400000000 ] - [ 0.0000248800000000, 0.0006789300000000, 0.0002355400000000 ] - [ 0.0000194300000000, -0.0001807900000000, -0.0001629600000000 ] - [ 0.0017420400000000, 0.0004274300000000, 0.0003220600000000 ] - [ 0.0005999700000000, -0.0027126400000000, 0.0050706100000000 ] - [ -0.0000945900000000, 0.0003082200000000, -0.0001916900000000 ] - [ -0.0006720100000000, -0.0007651000000000, 0.0000810700000000 ] - [ 0.0201920900000000, -0.0055034500000000, 0.0147080000000000 ] - [ 0.0002048300000000, -0.0005132900000000, 0.0004151700000000 ] - [ -0.0014660500000000, 0.0004603000000000, -0.0001992000000000 ] - [ 0.0001470300000000, 0.0008545500000000, 0.0013510500000000 ] - [ -0.0000575600000000, 0.0003084200000000, 0.0000038300000000 ] - [ 0.0003939500000000, -0.0014630400000000, -0.0014330800000000 ] - [ -0.0054616100000000, -0.0030707200000000, -0.0006509000000000 ] - [ 0.0000887600000000, -0.0025339800000000, -0.0020334700000000 ] - [ 0.0189572500000000, 0.0007650300000000, -0.0019287300000000 ] - [ -0.0040214000000000, 0.0024570100000000, 0.0003630500000000 ] - [ 0.0000403800000000, 0.0022411600000000, -0.0009850200000000 ] - [ 0.0001688900000000, 0.0005998000000000, -0.0005440800000000 ] - [ -0.0000893600000000, 0.0000780300000000, -0.0002078500000000 ] - [ -0.0003329900000000, -0.0002856500000000, 0.0005808100000000 ] - [ 0.0003510000000000, 0.0005354800000000, -0.0003114400000000 ] - [ 0.0000012100000000, 0.0002574100000000, -0.0003222700000000 ] - [ -0.0004540600000000, 0.0004661100000000, -0.0003241000000000 ] - [ -0.0001398200000000, 0.0008474400000000, -0.0003582300000000 ] - [ 0.0065351200000000, -0.0010780700000000, 0.0028029300000000 ] - [ -0.0073870700000000, -0.0011248400000000, -0.0080754600000000 ] - [ 0.0389258100000000, 0.0116922700000000, -0.0057692700000000 ] - [ -0.0002535200000000, -0.0001526900000000, 0.0004490800000000 ] - [ -0.0034159600000000, 0.0003725200000000, -0.0006404000000000 ] - [ 0.0010659200000000, 0.0003128300000000, 0.0000979000000000 ] - [ -0.0006552300000000, 0.0003634200000000, -0.0002042000000000 ] - [ -0.0006159800000000, -0.0023259500000000, 0.0004602600000000 ] - [ 0.0008694900000000, -0.0010332200000000, 0.0004398900000000 ] - [ 0.0004212500000000, 0.0012466200000000, -0.0003647300000000 ] - [ 0.0008595800000000, -0.0011167500000000, -0.0006040500000000 ] - [ -0.0008418000000000, -0.0003817100000000, -0.0001969100000000 ] - [ -0.0011058200000000, -0.0020090500000000, -0.0010505500000000 ] - [ -0.0012340300000000, -0.0000960100000000, -0.0004312500000000 ] - [ -0.0000913300000000, 0.0008099300000000, 0.0008731100000000 ] - [ 0.0000636000000000, 0.0002042700000000, -0.0003934900000000 ] - [ -0.0920905400000000, -0.0091253800000000, 0.0003389400000000 ] - [ 0.0017123900000000, 0.0004502500000000, 0.0007816100000000 ] - [ 0.0003345500000000, 0.0000796700000000, 0.0005331400000000 ] - [ -0.0001149400000000, -0.0002166800000000, 0.0000961800000000 ] - [ -0.0002703100000000, -0.0000810500000000, -0.0004221100000000 ] - [ 0.0000996500000000, 0.0002029400000000, -0.0000468800000000 ] - [ -0.0070577200000000, -0.0015676500000000, 0.0007275600000000 ] - [ 0.0004759700000000, 0.0007011800000000, 0.0004701300000000 ] - [ -0.0005088900000000, -0.0000158700000000, -0.0001275700000000 ] - [ 0.0004497100000000, 0.0000706400000000, -0.0002003200000000 ] - [ 0.0006921200000000, 0.0000718200000000, 0.0002563800000000 ] - [ -0.0006388200000000, -0.0019695500000000, -0.0004312700000000 ] - [ 0.0015868300000000, -0.0002110800000000, 0.0007295800000000 ] - [ -0.0002203800000000, -0.0008642400000000, 0.0010078100000000 ] - [ -0.0005019600000000, -0.0001351700000000, 0.0000944500000000 ] - [ -0.0000219300000000, 0.0002934600000000, 0.0000699300000000 ] - [ -0.0002795700000000, 0.0002807300000000, -0.0000661700000000 ] - [ -0.0005885400000000, -0.0004561100000000, -0.0003860000000000 ] - [ 0.0000548100000000, 0.0002466600000000, 0.0002111100000000 ] - [ -0.0006168000000000, -0.0000438100000000, -0.0005395600000000 ] - [ 0.0009801400000000, 0.0004143100000000, 0.0002333500000000 ] - [ -0.0030081100000000, -0.0058855100000000, 0.0067444000000000 ] - [ 0.0062076700000000, 0.0143493900000000, -0.0137628900000000 ] - [ -0.0000275400000000, -0.0000153100000000, 0.0000058000000000 ] - [ 0.0049132700000000, 0.0006372400000000, 0.0001092500000000 ] - [ -0.0017863800000000, 0.0004451600000000, -0.0006200900000000 ] - [ 0.0001119300000000, 0.0004549300000000, -0.0002524100000000 ] - [ 0.0103479400000000, 0.0012800900000000, 0.0028182400000000 ] - [ -0.0000148000000000, 0.0002532300000000, -0.0005073300000000 ] - [ -0.0023018800000000, 0.0015662300000000, 0.0029838300000000 ] - [ -0.0007279500000000, -0.0002735800000000, -0.0002263500000000 ] - [ 0.0009649000000000, 0.0001282700000000, -0.0005979800000000 ] - [ 0.0003732200000000, 0.0024647700000000, 0.0011242200000000 ] - [ -0.0002915900000000, -0.0001456300000000, -0.0007297200000000 ] - [ 0.0002026600000000, -0.0002198700000000, 0.0001623300000000 ] - [ -0.0028276500000000, 0.0047555300000000, -0.0063562500000000 ] - [ -0.0002586000000000, 0.0010329300000000, 0.0007521300000000 ] - [ 0.0004247100000000, 0.0013114600000000, 0.0007619500000000 ] - [ 0.0006191500000000, -0.0003440400000000, -0.0001579100000000 ] - [ 0.0003489700000000, -0.0002763900000000, -0.0001247100000000 ] - [ -0.0002133300000000, 0.0002541600000000, 0.0000231800000000 ] - [ -0.0003351800000000, -0.0000372900000000, 0.0002790900000000 ] - [ 0.0007485100000000, 0.0002217200000000, -0.0005605500000000 ] - [ -0.0001255100000000, -0.0002935000000000, 0.0000462900000000 ] - [ -0.0006488800000000, -0.0001307500000000, 0.0013279200000000 ] - [ -0.0009568100000000, 0.0004340500000000, 0.0001505700000000 ] - [ 0.0009061700000000, 0.0004045800000000, 0.0005849300000000 ] - [ -0.0003481100000000, -0.0002140700000000, -0.0006329400000000 ] - [ 0.0016133100000000, 0.0000828700000000, -0.0001442000000000 ] - [ 0.0002861400000000, 0.0000530400000000, -0.0000789500000000 ] - [ 0.0010731500000000, 0.0002769600000000, 0.0005492400000000 ] - [ -0.0002330700000000, -0.0003530600000000, -0.0000497700000000 ] - [ 0.0002102000000000, 0.0002018000000000, 0.0005510300000000 ] - [ 0.0020114100000000, -0.0007907500000000, -0.0003032000000000 ] - [ -0.0009165900000000, -0.0003683000000000, -0.0001856800000000 ] - [ -0.0006410100000000, 0.0000169100000000, 0.0002585200000000 ] - [ 0.0010775300000000, 0.0013753400000000, -0.0000578200000000 ] - [ 0.0007548900000000, 0.0001952200000000, -0.0003169000000000 ] - [ 0.0001344300000000, -0.0002666300000000, -0.0000922700000000 ] - [ 0.0004671000000000, 0.0001367800000000, 0.0003608700000000 ] - [ 0.0000372100000000, 0.0002751500000000, -0.0001351900000000 ] - [ -0.0001889200000000, -0.0000774200000000, 0.0000270200000000 ] - [ 0.0132998500000000, -0.0084250400000000, 0.0076983600000000 ] - [ 0.0012116500000000, -0.0011408400000000, 0.0015500900000000 ] - [ -0.0003828200000000, -0.0035827500000000, -0.0070457600000000 ] - [ -0.0004224400000000, 0.0003019300000000, -0.0000077600000000 ] - [ -0.0000050300000000, 0.0008867500000000, -0.0005683800000000 ] - [ -0.0001550700000000, 0.0006061800000000, -0.0006292000000000 ] - [ 0.0020602100000000, 0.0010241900000000, -0.0004489100000000 ] - [ -0.0006333100000000, -0.0000272300000000, 0.0002817900000000 ] - [ 0.0001345300000000, -0.0002697700000000, 0.0000929800000000 ] - [ 0.0005807600000000, -0.0003235300000000, -0.0000137000000000 ]- atom: 49 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ -0.0008398500000000, -0.0029899000000000, -0.0009905200000000 ] - [ -0.0002046200000000, -0.0002269500000000, 0.0000238200000000 ] - [ 0.0020487000000000, -0.0003833900000000, -0.0004260400000000 ] - [ -0.0021369100000000, -0.0004370200000000, -0.0001189600000000 ] - [ 0.0015013300000000, 0.0006335500000000, 0.0005307700000000 ] - [ -0.0000849600000000, -0.0006129800000000, 0.0005767200000000 ] - [ -0.0000988100000000, -0.0004902000000000, 0.0006814600000000 ] - [ -0.0003201000000000, -0.0004144300000000, -0.0000543700000000 ] - [ -0.0002469000000000, 0.0009577800000000, -0.0000717900000000 ] - [ -0.0001635000000000, -0.0001208100000000, -0.0001469600000000 ] - [ -0.0020298300000000, 0.0007539600000000, 0.0006809700000000 ] - [ 0.0001172200000000, 0.0035577300000000, -0.0044771900000000 ] - [ -0.0001222000000000, 0.0004047500000000, -0.0002926400000000 ] - [ 0.0004512000000000, -0.0008769000000000, 0.0000806400000000 ] - [ -0.0202448600000000, 0.0052249400000000, -0.0162039000000000 ] - [ 0.0005208500000000, -0.0003310100000000, 0.0001808900000000 ] - [ 0.0016086400000000, 0.0000383700000000, 0.0002620100000000 ] - [ -0.0003920400000000, -0.0002228500000000, -0.0007211000000000 ] - [ -0.0000959000000000, 0.0001899800000000, -0.0000828800000000 ] - [ -0.0002431500000000, 0.0011727900000000, 0.0017457900000000 ] - [ 0.0057595200000000, 0.0019020900000000, -0.0003606700000000 ] - [ 0.0001279200000000, 0.0009026800000000, 0.0018808100000000 ] - [ -0.0177580700000000, -0.0012220400000000, 0.0006798300000000 ] - [ 0.0038842500000000, -0.0021633400000000, -0.0006648900000000 ] - [ -0.0005562800000000, -0.0012993200000000, 0.0015841600000000 ] - [ 0.0001203600000000, 0.0005920700000000, -0.0004571000000000 ] - [ 0.0002338400000000, 0.0002241400000000, 0.0005219800000000 ] - [ 0.0000934500000000, -0.0003450600000000, 0.0000537300000000 ] - [ 0.0001833100000000, 0.0004220900000000, -0.0002653700000000 ] - [ 0.0002391100000000, 0.0003741400000000, -0.0003093800000000 ] - [ -0.0002713800000000, 0.0003786800000000, -0.0002684200000000 ] - [ 0.0003638700000000, 0.0007948800000000, 0.0002009900000000 ] - [ -0.0056954300000000, 0.0002698700000000, -0.0021608800000000 ] - [ 0.0054547100000000, 0.0017602800000000, 0.0078555800000000 ] - [ -0.0386978600000000, -0.0103962600000000, 0.0059466900000000 ] - [ 0.0000684600000000, -0.0001622200000000, 0.0005515200000000 ] - [ 0.0017718600000000, 0.0014872200000000, -0.0009881600000000 ] - [ 0.0008716900000000, 0.0003357500000000, 0.0000620700000000 ] - [ -0.0001768800000000, 0.0004428400000000, -0.0004380900000000 ] - [ -0.0002034100000000, 0.0015266900000000, -0.0011187600000000 ] - [ 0.0007798400000000, -0.0008280000000000, 0.0011966800000000 ] - [ 0.0012217200000000, 0.0006166100000000, 0.0019993700000000 ] - [ -0.0025151600000000, -0.0007441100000000, -0.0010231100000000 ] - [ -0.0010945100000000, -0.0002674500000000, 0.0000390900000000 ] - [ 0.0030484600000000, 0.0013482900000000, 0.0011959800000000 ] - [ 0.0014115000000000, -0.0002308400000000, -0.0005750200000000 ] - [ 0.0009192900000000, -0.0000012300000000, -0.0002311100000000 ] - [ 0.0001224500000000, 0.0001109300000000, -0.0006012000000000 ] - [ 0.0900000000000000, 0.0072770800000000, 0.0019789300000000 ] - [ -0.0005214200000000, -0.0005516600000000, -0.0013641500000000 ] - [ 0.0003865700000000, 0.0000892500000000, 0.0005634900000000 ] - [ 0.0003146700000000, -0.0002890600000000, -0.0000845500000000 ] - [ -0.0004532400000000, -0.0000870900000000, -0.0006786800000000 ] - [ 0.0000589400000000, 0.0002598200000000, -0.0002150700000000 ] - [ 0.0075076100000000, 0.0014771900000000, -0.0009270900000000 ] - [ -0.0001020900000000, 0.0006091200000000, 0.0004562600000000 ] - [ 0.0004452300000000, -0.0005503300000000, -0.0000855200000000 ] - [ 0.0007477300000000, 0.0000328000000000, -0.0003920400000000 ] - [ -0.0004902100000000, 0.0004361900000000, -0.0002452500000000 ] - [ -0.0003552700000000, 0.0013521600000000, 0.0004072700000000 ] - [ -0.0008600000000000, 0.0000477700000000, 0.0003744100000000 ] - [ -0.0002878500000000, -0.0008774400000000, -0.0000898200000000 ] - [ -0.0001937800000000, 0.0001842200000000, -0.0004452400000000 ] - [ 0.0002164800000000, 0.0002334400000000, -0.0002069000000000 ] - [ -0.0002254300000000, 0.0002777800000000, -0.0000882700000000 ] - [ 0.0014070600000000, 0.0000874100000000, 0.0021344000000000 ] - [ 0.0000758600000000, 0.0002496300000000, 0.0000600600000000 ] - [ 0.0009877900000000, -0.0012621100000000, 0.0014637100000000 ] - [ -0.0014259100000000, -0.0000274900000000, -0.0013019900000000 ] - [ 0.0022369500000000, 0.0060588100000000, -0.0077949400000000 ] - [ -0.0052786500000000, -0.0138587400000000, 0.0139727100000000 ] - [ 0.0007233300000000, 0.0000646200000000, 0.0003450400000000 ] - [ -0.0043899400000000, -0.0000752300000000, 0.0000552200000000 ] - [ 0.0016607900000000, 0.0000562300000000, 0.0003443500000000 ] - [ -0.0005698200000000, 0.0001472900000000, 0.0003736600000000 ] - [ -0.0102841100000000, -0.0017557500000000, -0.0031173200000000 ] - [ -0.0001403300000000, 0.0001551000000000, -0.0004034800000000 ] - [ 0.0027623600000000, -0.0009722800000000, -0.0031113700000000 ] - [ 0.0007845600000000, -0.0003026600000000, 0.0004511400000000 ] - [ -0.0004256200000000, 0.0003504700000000, 0.0005938300000000 ] - [ -0.0008877000000000, -0.0029981500000000, -0.0012668600000000 ] - [ -0.0005239500000000, -0.0002226300000000, -0.0010171800000000 ] - [ -0.0003629400000000, -0.0002417900000000, 0.0000968100000000 ] - [ 0.0026537500000000, -0.0051620900000000, 0.0054191200000000 ] - [ -0.0002510900000000, 0.0007089800000000, 0.0001679000000000 ] - [ -0.0002842100000000, -0.0018156800000000, -0.0004864400000000 ] - [ -0.0001625000000000, -0.0002522900000000, 0.0000355700000000 ] - [ 0.0001895800000000, -0.0001988100000000, 0.0001157600000000 ] - [ -0.0003247500000000, 0.0002184400000000, -0.0000175900000000 ] - [ -0.0003584300000000, -0.0000135000000000, -0.0006316000000000 ] - [ -0.0006908800000000, 0.0003539700000000, 0.0007873500000000 ] - [ -0.0000695200000000, -0.0002366600000000, 0.0000861000000000 ] - [ 0.0004504600000000, -0.0003774600000000, -0.0013503200000000 ] - [ 0.0007991300000000, 0.0000266800000000, 0.0001079600000000 ] - [ -0.0011048400000000, 0.0001018100000000, -0.0006035900000000 ] - [ -0.0001015900000000, -0.0001703400000000, -0.0004430400000000 ] - [ -0.0009191800000000, -0.0001342700000000, 0.0004930800000000 ] - [ 0.0001896500000000, 0.0001034300000000, -0.0001110100000000 ] - [ -0.0002577700000000, 0.0000907000000000, 0.0011959400000000 ] - [ -0.0002221400000000, -0.0002420900000000, 0.0001715100000000 ] - [ 0.0002391900000000, 0.0001828400000000, 0.0005233800000000 ] - [ -0.0015111800000000, -0.0009514400000000, -0.0006190700000000 ] - [ 0.0010694500000000, -0.0000452200000000, 0.0010921900000000 ] - [ -0.0001722300000000, 0.0003509200000000, -0.0020130700000000 ] - [ -0.0015512000000000, -0.0012171400000000, 0.0002499800000000 ] - [ -0.0009516900000000, 0.0003345800000000, 0.0004501600000000 ] - [ -0.0002662600000000, -0.0002307500000000, -0.0001822000000000 ] - [ -0.0003108900000000, 0.0002722900000000, 0.0005514100000000 ] - [ -0.0000940100000000, 0.0003033000000000, -0.0000914600000000 ] - [ -0.0002865800000000, -0.0000789500000000, 0.0001608400000000 ] - [ -0.0126580000000000, 0.0078957400000000, -0.0065555400000000 ] - [ -0.0010315900000000, 0.0006023800000000, -0.0016602000000000 ] - [ 0.0000087900000000, 0.0022404700000000, 0.0060729700000000 ] - [ -0.0005815300000000, 0.0003303900000000, -0.0000186200000000 ] - [ 0.0005147000000000, 0.0008552900000000, -0.0003526100000000 ] - [ -0.0002173800000000, 0.0007024900000000, -0.0002943100000000 ] - [ -0.0032305300000000, -0.0009081400000000, 0.0010281300000000 ] - [ -0.0005639300000000, -0.0000734700000000, 0.0003062800000000 ] - [ 0.0003672600000000, -0.0002882900000000, 0.0000595800000000 ] - [ 0.0004233100000000, -0.0003089200000000, 0.0000368600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0046721200000000, -0.0015771100000000, -0.0044894600000000 ] - [ 0.0001688200000000, -0.0007404100000000, 0.0010261100000000 ] - [ -0.0000194100000000, -0.0010895800000000, -0.0009556500000000 ] - [ -0.0040498900000000, -0.0064525900000000, -0.0043912000000000 ] - [ 0.0002792900000000, 0.0009937600000000, -0.0000470100000000 ] - [ -0.0001763800000000, -0.0005773200000000, 0.0010359000000000 ] - [ -0.0002016400000000, -0.0002262600000000, 0.0007478000000000 ] - [ 0.0002109500000000, -0.0000031000000000, 0.0009812000000000 ] - [ -0.0001196800000000, 0.0001683200000000, 0.0006257900000000 ] - [ -0.0000336500000000, -0.0003670900000000, 0.0004963600000000 ] - [ 0.0001984200000000, -0.0030006800000000, -0.0013893400000000 ] - [ -0.0006233000000000, -0.0019461700000000, 0.0029927700000000 ] - [ -0.0001073100000000, 0.0003094200000000, 0.0003725300000000 ] - [ -0.0005911500000000, -0.0006942100000000, 0.0005129300000000 ] - [ -0.0032935600000000, 0.0040473800000000, -0.0019085200000000 ] - [ 0.0002295800000000, -0.0003027900000000, 0.0008498100000000 ] - [ 0.0001100300000000, -0.0005284000000000, -0.0001327400000000 ] - [ -0.0002030800000000, 0.0011900600000000, 0.0001074900000000 ] - [ -0.0001365000000000, 0.0003244200000000, 0.0005798300000000 ] - [ 0.0005501800000000, 0.0022869100000000, 0.0007747400000000 ] - [ -0.0020106900000000, 0.0006829100000000, -0.0040752900000000 ] - [ 0.0000858800000000, 0.0001423800000000, -0.0007977200000000 ] - [ -0.0050232200000000, 0.0050663100000000, 0.0014969200000000 ] - [ 0.0001116000000000, -0.0002875600000000, -0.0004087400000000 ] - [ 0.0010895400000000, -0.0016194100000000, 0.0021778600000000 ] - [ 0.0001023700000000, 0.0006107400000000, 0.0001057900000000 ] - [ 0.0001278100000000, -0.0000428700000000, 0.0006046700000000 ] - [ -0.0002101000000000, -0.0007234700000000, 0.0009327100000000 ] - [ 0.0003014700000000, 0.0007380900000000, 0.0003030900000000 ] - [ 0.0001931200000000, 0.0002954600000000, 0.0001324800000000 ] - [ -0.0003073500000000, 0.0004382400000000, 0.0002464000000000 ] - [ 0.0004492800000000, 0.0009754800000000, 0.0005931300000000 ] - [ -0.0009716700000000, 0.0008942000000000, -0.0002691500000000 ] - [ 0.0008101700000000, 0.0011876600000000, 0.0003661200000000 ] - [ 0.0148377100000000, 0.1512281600000000, -0.0952806000000000 ] - [ -0.0000728500000000, -0.0001162500000000, 0.0013477200000000 ] - [ -0.0003841200000000, 0.0019399900000000, -0.0009673300000000 ] - [ 0.0009743700000000, 0.0003247300000000, 0.0010813100000000 ] - [ -0.0006315600000000, 0.0003767500000000, 0.0001484100000000 ] - [ 0.0002052600000000, -0.0092386800000000, 0.0008645600000000 ] - [ 0.0008674700000000, -0.0009490400000000, 0.0014070600000000 ] - [ 0.0025500300000000, 0.0004765300000000, 0.0022375000000000 ] - [ -0.0013648600000000, -0.0010732800000000, 0.0007826100000000 ] - [ -0.0009982900000000, -0.0003072800000000, 0.0008584200000000 ] - [ -0.0011994400000000, -0.0023258300000000, -0.0011359900000000 ] - [ 0.0016130100000000, -0.0013285800000000, -0.0030521200000000 ] - [ 0.0001620400000000, 0.0007500400000000, 0.0012096800000000 ] - [ 0.0000618000000000, 0.0002380200000000, 0.0005425900000000 ] - [ -0.0080359300000000, -0.1869977800000000, 0.1279381400000000 ] - [ -0.0001918800000000, -0.0009451000000000, -0.0002978000000000 ] - [ 0.0002003800000000, 0.0001052300000000, -0.0000347800000000 ] - [ 0.0001340800000000, -0.0001614400000000, -0.0003588100000000 ] - [ -0.0005219300000000, -0.0000585300000000, -0.0010330700000000 ] - [ 0.0000357800000000, 0.0003013100000000, -0.0006197500000000 ] - [ -0.0010254100000000, 0.0201990200000000, -0.0016980800000000 ] - [ 0.0001763800000000, 0.0007138800000000, 0.0004630500000000 ] - [ -0.0007797000000000, 0.0034301800000000, 0.0029518700000000 ] - [ 0.0006545600000000, 0.0002378400000000, -0.0007194100000000 ] - [ -0.0003493700000000, 0.0004801800000000, 0.0001609600000000 ] - [ -0.0012699100000000, 0.0038608500000000, 0.0011212200000000 ] - [ 0.0005112900000000, 0.0005854100000000, 0.0014756000000000 ] - [ -0.0006360600000000, -0.0001694500000000, 0.0001424300000000 ] - [ -0.0005147200000000, 0.0003652200000000, -0.0004197300000000 ] - [ 0.0001308400000000, 0.0000552500000000, -0.0004850500000000 ] - [ -0.0000915600000000, 0.0002887200000000, -0.0004531900000000 ] - [ 0.0003655900000000, -0.0005424500000000, -0.0003723100000000 ] - [ -0.0000312400000000, 0.0001760200000000, -0.0003070200000000 ] - [ -0.0006414500000000, 0.0009719100000000, -0.0011713000000000 ] - [ 0.0007369500000000, 0.0003651700000000, 0.0006728300000000 ] - [ -0.0046278100000000, -0.0009039000000000, -0.0080737500000000 ] - [ 0.0073240300000000, 0.0024808600000000, -0.0056279200000000 ] - [ 0.0004322100000000, -0.0004264200000000, -0.0005806300000000 ] - [ 0.0000013700000000, -0.0000197300000000, 0.0003762000000000 ] - [ 0.0001122700000000, 0.0018935100000000, -0.0009321200000000 ] - [ 0.0007340900000000, 0.0023462200000000, -0.0008811100000000 ] - [ -0.0034910800000000, -0.0027845600000000, -0.0003246600000000 ] - [ -0.0000559100000000, 0.0001973400000000, -0.0007165300000000 ] - [ 0.0003774700000000, -0.0013430500000000, -0.0006089000000000 ] - [ 0.0002573700000000, -0.0007349000000000, -0.0002795000000000 ] - [ 0.0001554000000000, 0.0000825300000000, 0.0006033800000000 ] - [ 0.0016932000000000, 0.0044417700000000, 0.0018123100000000 ] - [ -0.0005475700000000, -0.0001891600000000, -0.0012539600000000 ] - [ 0.0001284400000000, -0.0002007800000000, -0.0002774000000000 ] - [ 0.0047439600000000, 0.0106174300000000, -0.0139212700000000 ] - [ -0.0002997600000000, 0.0006984500000000, 0.0002484900000000 ] - [ 0.0015224700000000, -0.0000856100000000, 0.0016635500000000 ] - [ 0.0003066400000000, -0.0002818900000000, -0.0003833700000000 ] - [ 0.0003090900000000, -0.0004030600000000, -0.0006026000000000 ] - [ -0.0002866100000000, 0.0000721900000000, -0.0004597000000000 ] - [ -0.0006567100000000, -0.0001894500000000, -0.0006548700000000 ] - [ 0.0003928100000000, 0.0003018600000000, -0.0003985700000000 ] - [ -0.0000209000000000, -0.0005130800000000, -0.0004207800000000 ] - [ -0.0000474100000000, -0.0004831100000000, -0.0017759500000000 ] - [ 0.0000359300000000, -0.0000418300000000, 0.0009397500000000 ] - [ -0.0002689700000000, 0.0000682700000000, -0.0002034700000000 ] - [ -0.0004716100000000, -0.0002118000000000, -0.0012652500000000 ] - [ 0.0002622300000000, -0.0003694100000000, 0.0007059200000000 ] - [ 0.0002620100000000, 0.0001886900000000, -0.0004758700000000 ] - [ 0.0003574900000000, 0.0001260500000000, 0.0009261600000000 ] - [ -0.0000168600000000, -0.0002268700000000, -0.0001258200000000 ] - [ 0.0000645000000000, 0.0002061500000000, -0.0000368000000000 ] - [ 0.0002770600000000, -0.0013393000000000, -0.0007591600000000 ] - [ 0.0003058000000000, -0.0003268900000000, 0.0004054700000000 ] - [ -0.0022881200000000, 0.0020687200000000, -0.0027653200000000 ] - [ -0.0001283900000000, 0.0018751400000000, 0.0010938700000000 ] - [ -0.0001706800000000, 0.0014481400000000, -0.0000204900000000 ] - [ -0.0000846100000000, -0.0003182000000000, -0.0004949700000000 ] - [ 0.0001707000000000, 0.0000296300000000, 0.0002990200000000 ] - [ 0.0000370800000000, 0.0003725400000000, -0.0004281700000000 ] - [ -0.0001812000000000, 0.0000285600000000, -0.0003589300000000 ] - [ -0.0033309000000000, -0.0016777200000000, 0.0004187900000000 ] - [ -0.0009774300000000, 0.0000518600000000, 0.0001283000000000 ] - [ -0.0006913500000000, -0.0020975400000000, 0.0017644900000000 ] - [ -0.0004479700000000, 0.0002337100000000, -0.0004802700000000 ] - [ 0.0003000100000000, 0.0011077000000000, -0.0010646600000000 ] - [ -0.0001728800000000, 0.0006208400000000, -0.0009956200000000 ] - [ 0.0011793600000000, 0.0006870300000000, 0.0009593700000000 ] - [ -0.0005280600000000, 0.0001483700000000, -0.0001702900000000 ] - [ 0.0004313400000000, -0.0002685600000000, -0.0003109500000000 ] - [ 0.0005291800000000, -0.0003862100000000, -0.0004126400000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0048751200000000, 0.0010555900000000, 0.0044748800000000 ] - [ 0.0000455300000000, 0.0000234500000000, -0.0005435300000000 ] - [ 0.0005524900000000, 0.0001307700000000, 0.0003778200000000 ] - [ 0.0033818700000000, 0.0056527400000000, 0.0038532800000000 ] - [ -0.0000516600000000, -0.0002802900000000, 0.0005491100000000 ] - [ -0.0001128700000000, -0.0006134200000000, -0.0000359500000000 ] - [ -0.0003330100000000, -0.0007297700000000, -0.0001727600000000 ] - [ -0.0000601700000000, -0.0004902400000000, -0.0009051100000000 ] - [ -0.0001021400000000, 0.0014730400000000, -0.0004713500000000 ] - [ -0.0001106300000000, 0.0000673000000000, -0.0008133600000000 ] - [ -0.0004946500000000, 0.0042084200000000, 0.0023777700000000 ] - [ 0.0013514400000000, 0.0028087100000000, -0.0024252400000000 ] - [ -0.0001093700000000, 0.0004033300000000, -0.0008632700000000 ] - [ 0.0003690600000000, -0.0009422600000000, -0.0003547700000000 ] - [ 0.0034561100000000, -0.0047187800000000, 0.0011451300000000 ] - [ 0.0004985700000000, -0.0005395700000000, -0.0002625100000000 ] - [ 0.0000391500000000, 0.0010272200000000, 0.0001975800000000 ] - [ -0.0000351000000000, -0.0005623100000000, 0.0005221400000000 ] - [ -0.0000158700000000, 0.0001744200000000, -0.0006647600000000 ] - [ -0.0004176000000000, -0.0026050500000000, -0.0004703800000000 ] - [ 0.0023240300000000, -0.0018976000000000, 0.0031106400000000 ] - [ 0.0001283100000000, -0.0018033600000000, 0.0006428000000000 ] - [ 0.0047993500000000, -0.0057802600000000, -0.0020199800000000 ] - [ -0.0002565900000000, 0.0006112800000000, 0.0001069100000000 ] - [ -0.0016296000000000, 0.0025886800000000, -0.0016032400000000 ] - [ 0.0001873900000000, 0.0005810800000000, -0.0011129200000000 ] - [ 0.0000168800000000, 0.0003424100000000, -0.0002949700000000 ] - [ -0.0000271000000000, 0.0000864700000000, -0.0003024200000000 ] - [ 0.0002327100000000, 0.0002182300000000, -0.0008863300000000 ] - [ 0.0000466700000000, 0.0003367700000000, -0.0007679400000000 ] - [ -0.0004183700000000, 0.0004062100000000, -0.0008437100000000 ] - [ -0.0002292600000000, 0.0006655500000000, -0.0007564800000000 ] - [ 0.0018135000000000, -0.0017084400000000, 0.0008786100000000 ] - [ -0.0027418700000000, -0.0005334700000000, -0.0004872800000000 ] - [ -0.0159484400000000, -0.1569330000000000, 0.1023830200000000 ] - [ -0.0001124300000000, -0.0001990500000000, -0.0003570800000000 ] - [ -0.0012580300000000, -0.0000888000000000, -0.0006711500000000 ] - [ 0.0009622600000000, 0.0003227400000000, -0.0009296000000000 ] - [ -0.0001957100000000, 0.0004299000000000, -0.0007965300000000 ] - [ -0.0010317400000000, 0.0084912000000000, -0.0015187800000000 ] - [ 0.0007794800000000, -0.0009111200000000, 0.0002231700000000 ] - [ -0.0008985600000000, 0.0013926700000000, -0.0005980500000000 ] - [ -0.0002822900000000, -0.0007877000000000, -0.0024258900000000 ] - [ -0.0009369900000000, -0.0003403600000000, -0.0010217500000000 ] - [ 0.0031298900000000, 0.0017021000000000, 0.0013065600000000 ] - [ -0.0014083600000000, 0.0010226700000000, 0.0020605900000000 ] - [ 0.0006697200000000, 0.0000551700000000, -0.0005735200000000 ] - [ 0.0001246400000000, 0.0000775300000000, -0.0015461100000000 ] - [ 0.0084749400000000, 0.1929778200000000, -0.1342817500000000 ] - [ 0.0013965000000000, 0.0008428200000000, -0.0002986300000000 ] - [ 0.0005222300000000, 0.0000634100000000, 0.0011341300000000 ] - [ 0.0000667200000000, -0.0003452200000000, 0.0003770000000000 ] - [ -0.0001990000000000, -0.0001105900000000, -0.0000585600000000 ] - [ 0.0001243500000000, 0.0001598300000000, 0.0003640400000000 ] - [ 0.0015411800000000, -0.0209833600000000, 0.0015584000000000 ] - [ 0.0001980500000000, 0.0005946000000000, 0.0004608500000000 ] - [ 0.0007301500000000, -0.0040306600000000, -0.0032105400000000 ] - [ 0.0005442900000000, -0.0001337700000000, 0.0001321600000000 ] - [ 0.0005467700000000, 0.0000223700000000, -0.0001468700000000 ] - [ 0.0002374900000000, -0.0044892000000000, -0.0011325700000000 ] - [ 0.0002025000000000, -0.0007613800000000, -0.0003896000000000 ] - [ 0.0001241100000000, -0.0015682900000000, 0.0007708700000000 ] - [ -0.0001790700000000, -0.0003143400000000, 0.0000692000000000 ] - [ 0.0000649400000000, 0.0004736800000000, 0.0003555100000000 ] - [ -0.0004142900000000, 0.0002683000000000, 0.0003033500000000 ] - [ 0.0004496900000000, 0.0001756900000000, 0.0021259100000000 ] - [ 0.0001628200000000, 0.0003220600000000, 0.0005837100000000 ] - [ 0.0010101600000000, -0.0022822100000000, 0.0020841600000000 ] - [ -0.0011829000000000, 0.0000163200000000, -0.0017477900000000 ] - [ 0.0039900500000000, 0.0010906700000000, 0.0071654100000000 ] - [ -0.0065104500000000, -0.0019068200000000, 0.0058104300000000 ] - [ 0.0002636300000000, 0.0004807300000000, 0.0009374900000000 ] - [ 0.0004947400000000, 0.0005775800000000, -0.0002313800000000 ] - [ -0.0002427700000000, -0.0013966900000000, 0.0006682900000000 ] - [ -0.0011786300000000, -0.0017464200000000, 0.0009944300000000 ] - [ 0.0037210400000000, 0.0023380500000000, 0.0000631200000000 ] - [ -0.0000996600000000, 0.0002117700000000, -0.0001901500000000 ] - [ 0.0000738100000000, 0.0019676700000000, 0.0005276400000000 ] - [ -0.0002027400000000, 0.0001510300000000, 0.0005140100000000 ] - [ 0.0003773100000000, 0.0003898400000000, -0.0006076000000000 ] - [ -0.0021676900000000, -0.0049905500000000, -0.0019560700000000 ] - [ -0.0002679400000000, -0.0001785300000000, -0.0004916200000000 ] - [ -0.0002881000000000, -0.0002572700000000, 0.0005374600000000 ] - [ -0.0048619800000000, -0.0110430300000000, 0.0129395400000000 ] - [ -0.0002096000000000, 0.0010450900000000, 0.0006708600000000 ] - [ -0.0014104300000000, -0.0004039200000000, -0.0014055000000000 ] - [ 0.0001501500000000, -0.0003150300000000, 0.0002632000000000 ] - [ 0.0002286100000000, -0.0000699400000000, 0.0006006600000000 ] - [ -0.0002509600000000, 0.0004044100000000, 0.0004692100000000 ] - [ -0.0000389000000000, 0.0001349900000000, 0.0003028500000000 ] - [ -0.0003392600000000, 0.0002785300000000, 0.0006292400000000 ] - [ -0.0001745200000000, -0.0000132900000000, 0.0005567200000000 ] - [ -0.0001514100000000, -0.0000232400000000, 0.0017731600000000 ] - [ -0.0001974800000000, 0.0005035500000000, -0.0006793400000000 ] - [ 0.0000697700000000, 0.0004408100000000, 0.0001929700000000 ] - [ 0.0000233100000000, -0.0001720000000000, 0.0001927100000000 ] - [ 0.0004298400000000, 0.0003257500000000, -0.0003572900000000 ] - [ 0.0002127600000000, -0.0000329600000000, 0.0002886000000000 ] - [ 0.0004554200000000, 0.0002439200000000, 0.0008245100000000 ] - [ -0.0004417800000000, -0.0003704600000000, 0.0002493700000000 ] - [ 0.0003853300000000, 0.0001779200000000, 0.0011150600000000 ] - [ 0.0002328800000000, -0.0004034600000000, -0.0001513900000000 ] - [ -0.0001515500000000, -0.0000676200000000, 0.0005132000000000 ] - [ 0.0014607500000000, -0.0016871000000000, 0.0009998000000000 ] - [ -0.0003561500000000, -0.0017192900000000, -0.0009015600000000 ] - [ -0.0000128000000000, -0.0009208700000000, 0.0001467800000000 ] - [ -0.0000480900000000, -0.0001812200000000, 0.0002236300000000 ] - [ -0.0000168700000000, 0.0003790200000000, 0.0006116200000000 ] - [ -0.0000954100000000, 0.0002079700000000, 0.0002042800000000 ] - [ -0.0002938500000000, -0.0001871400000000, 0.0005529400000000 ] - [ 0.0037664100000000, 0.0013563300000000, 0.0006106500000000 ] - [ 0.0011753500000000, -0.0005757400000000, -0.0002690300000000 ] - [ 0.0003091100000000, 0.0008273700000000, -0.0026575900000000 ] - [ -0.0005566700000000, 0.0003978100000000, 0.0004597400000000 ] - [ 0.0002098800000000, 0.0006325300000000, 0.0001516800000000 ] - [ -0.0002029900000000, 0.0006872100000000, 0.0000754400000000 ] - [ -0.0023727700000000, -0.0005921000000000, -0.0003743000000000 ] - [ -0.0006711500000000, -0.0002524200000000, 0.0007627200000000 ] - [ 0.0000718200000000, -0.0002882400000000, 0.0004665900000000 ] - [ 0.0004735000000000, -0.0002438900000000, 0.0004406000000000 ]- atom: 49 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ -0.0002977800000000, -0.0024194900000000, 0.0038828600000000 ] - [ -0.0005046300000000, -0.0003756400000000, -0.0016046500000000 ] - [ 0.0010522900000000, -0.0006902700000000, 0.0013039300000000 ] - [ -0.0008048200000000, 0.0011655200000000, 0.0034802100000000 ] - [ 0.0005755900000000, -0.0001337200000000, 0.0004502800000000 ] - [ -0.0000152700000000, -0.0005981500000000, -0.0005710600000000 ] - [ -0.0003281500000000, -0.0006880600000000, -0.0004807800000000 ] - [ -0.0005872400000000, -0.0001232000000000, -0.0018502700000000 ] - [ -0.0000126900000000, 0.0009718300000000, -0.0014593800000000 ] - [ -0.0001634200000000, 0.0001939000000000, -0.0016196100000000 ] - [ -0.0013244400000000, 0.0002642700000000, 0.0020825700000000 ] - [ 0.0016629400000000, 0.0041853900000000, -0.0047365600000000 ] - [ -0.0001601500000000, 0.0003845600000000, -0.0016413500000000 ] - [ 0.0009406800000000, -0.0008925000000000, -0.0004574700000000 ] - [ 0.0067172900000000, -0.0043166900000000, 0.0121804300000000 ] - [ 0.0009661900000000, -0.0003237700000000, -0.0012832800000000 ] - [ 0.0006997700000000, 0.0009053400000000, 0.0001157600000000 ] - [ 0.0010100200000000, -0.0006501900000000, -0.0009269100000000 ] - [ -0.0000041300000000, 0.0001763700000000, -0.0014582000000000 ] - [ -0.0023711900000000, -0.0028987400000000, -0.0024386200000000 ] - [ 0.0051095200000000, -0.0005782100000000, 0.0056208900000000 ] - [ -0.0018878700000000, -0.0018939200000000, 0.0016147000000000 ] - [ -0.0106681900000000, -0.0027489300000000, 0.0070034000000000 ] - [ 0.0009138400000000, 0.0007424100000000, 0.0011720800000000 ] - [ -0.0028226400000000, 0.0040694600000000, -0.0023147500000000 ] - [ 0.0002390600000000, 0.0005894600000000, -0.0018765900000000 ] - [ 0.0000961200000000, 0.0003348100000000, -0.0005713500000000 ] - [ 0.0005356100000000, -0.0003718400000000, -0.0011206500000000 ] - [ 0.0001730300000000, 0.0000235000000000, -0.0016805300000000 ] - [ 0.0000459900000000, 0.0002662000000000, -0.0013437500000000 ] - [ -0.0004073100000000, 0.0004232200000000, -0.0015830800000000 ] - [ -0.0004064400000000, 0.0006597100000000, -0.0014190400000000 ] - [ 0.0002184400000000, -0.0013527600000000, -0.0058599500000000 ] - [ -0.0013383100000000, 0.0009727800000000, 0.0073954500000000 ] - [ -0.0261972700000000, -0.0888131500000000, 0.0971651800000000 ] - [ 0.0000207900000000, -0.0002317500000000, -0.0014578000000000 ] - [ 0.0015091900000000, 0.0004139700000000, -0.0009580700000000 ] - [ 0.0009237100000000, 0.0002861400000000, -0.0020639900000000 ] - [ 0.0002905000000000, 0.0003718800000000, -0.0017644800000000 ] - [ -0.0009231700000000, 0.0081792600000000, -0.0026083100000000 ] - [ 0.0005073600000000, -0.0010773500000000, -0.0006208100000000 ] - [ -0.0006883400000000, 0.0011689200000000, 0.0007354500000000 ] - [ -0.0003305100000000, -0.0005233800000000, -0.0039930000000000 ] - [ -0.0010259600000000, -0.0003737500000000, -0.0022558900000000 ] - [ 0.0008482900000000, 0.0013590900000000, 0.0043462900000000 ] - [ 0.0014247500000000, 0.0003059500000000, 0.0031718600000000 ] - [ 0.0009909300000000, -0.0000098400000000, -0.0015109600000000 ] - [ 0.0001712100000000, 0.0000462800000000, -0.0028737700000000 ] - [ 0.0400526600000000, 0.1221405700000000, -0.1480025300000000 ] - [ 0.0019133600000000, 0.0002044000000000, -0.0013740200000000 ] - [ 0.0007733000000000, 0.0000240800000000, 0.0019377500000000 ] - [ 0.0002573000000000, -0.0003074600000000, 0.0011004500000000 ] - [ -0.0000645700000000, -0.0001341500000000, 0.0005329600000000 ] - [ 0.0001321200000000, 0.0001606100000000, 0.0008917700000000 ] - [ 0.0042133500000000, -0.0031931800000000, -0.0083907300000000 ] - [ 0.0000993400000000, 0.0006073400000000, 0.0008075000000000 ] - [ 0.0007216300000000, -0.0026768400000000, -0.0021850400000000 ] - [ 0.0007226200000000, -0.0002690100000000, 0.0006304500000000 ] - [ 0.0003366700000000, 0.0000929900000000, -0.0007148100000000 ] - [ -0.0008562000000000, 0.0005030000000000, -0.0018651800000000 ] - [ -0.0009138400000000, -0.0006265900000000, -0.0017587900000000 ] - [ 0.0002247400000000, -0.0010905300000000, 0.0004271300000000 ] - [ 0.0000277000000000, -0.0002702100000000, 0.0002647400000000 ] - [ 0.0002156200000000, 0.0006223000000000, 0.0008755000000000 ] - [ -0.0005944300000000, 0.0002593600000000, 0.0007205800000000 ] - [ 0.0006183000000000, 0.0000342100000000, 0.0031709000000000 ] - [ 0.0002359100000000, 0.0003424100000000, 0.0011409700000000 ] - [ 0.0015563600000000, -0.0022440100000000, 0.0028368900000000 ] - [ -0.0012140500000000, -0.0000459500000000, -0.0023948800000000 ] - [ 0.0078626800000000, -0.0091891400000000, 0.0103505200000000 ] - [ -0.0111915000000000, -0.0149925800000000, 0.0101495600000000 ] - [ 0.0002661500000000, 0.0007798600000000, 0.0017005500000000 ] - [ -0.0017371300000000, 0.0003303600000000, -0.0013772300000000 ] - [ -0.0001315200000000, -0.0017948700000000, 0.0007272700000000 ] - [ -0.0017397300000000, -0.0015301900000000, 0.0014036900000000 ] - [ 0.0021132800000000, 0.0004013100000000, -0.0026196800000000 ] - [ -0.0001867800000000, 0.0004236600000000, 0.0002696400000000 ] - [ 0.0018996400000000, 0.0028749200000000, 0.0047010700000000 ] - [ -0.0002945500000000, -0.0007716200000000, 0.0019368900000000 ] - [ -0.0005810800000000, 0.0008292900000000, -0.0005320900000000 ] - [ 0.0010424500000000, -0.0011401000000000, -0.0025480200000000 ] - [ -0.0001112500000000, -0.0001247800000000, 0.0000040400000000 ] - [ -0.0005784200000000, -0.0001586400000000, 0.0008252900000000 ] - [ -0.0044033700000000, -0.0158795700000000, 0.0153308100000000 ] - [ 0.0000621000000000, 0.0011249900000000, 0.0010269800000000 ] - [ -0.0003700700000000, -0.0006924000000000, -0.0025201900000000 ] - [ -0.0000687200000000, -0.0003863900000000, 0.0006377700000000 ] - [ 0.0001234400000000, 0.0003181600000000, 0.0014017700000000 ] - [ -0.0002747500000000, 0.0006410700000000, 0.0010576000000000 ] - [ 0.0000767200000000, -0.0000183400000000, 0.0000695900000000 ] - [ -0.0007639300000000, 0.0004044400000000, 0.0011601400000000 ] - [ -0.0002368800000000, 0.0002299800000000, 0.0011110500000000 ] - [ -0.0000509200000000, 0.0000867900000000, 0.0027604000000000 ] - [ -0.0000908100000000, 0.0013367500000000, 0.0010029800000000 ] - [ -0.0002584800000000, 0.0003579500000000, 0.0001661400000000 ] - [ 0.0003240400000000, -0.0001689900000000, 0.0008942500000000 ] - [ -0.0007011000000000, 0.0006481900000000, -0.0005647300000000 ] - [ 0.0001420200000000, -0.0002137200000000, 0.0007831200000000 ] - [ -0.0005369900000000, 0.0002042700000000, 0.0015920100000000 ] - [ -0.0009892200000000, -0.0002001200000000, 0.0008548800000000 ] - [ 0.0006049900000000, 0.0001640800000000, 0.0018229000000000 ] - [ -0.0007848000000000, -0.0009372000000000, -0.0003694500000000 ] - [ 0.0001357700000000, 0.0011979300000000, 0.0022219100000000 ] - [ 0.0011462400000000, -0.0005460200000000, -0.0007796800000000 ] - [ -0.0016211700000000, -0.0022723600000000, -0.0009403100000000 ] - [ -0.0000402600000000, 0.0005606700000000, -0.0012779600000000 ] - [ -0.0002711600000000, -0.0002456700000000, 0.0005654500000000 ] - [ -0.0002778300000000, 0.0002242500000000, 0.0009206800000000 ] - [ -0.0002477400000000, 0.0000064200000000, 0.0007467600000000 ] - [ -0.0004091600000000, -0.0005130000000000, 0.0012632600000000 ] - [ -0.0053700200000000, 0.0041195600000000, -0.0075262800000000 ] - [ 0.0020489800000000, -0.0001709800000000, -0.0020882600000000 ] - [ -0.0034052200000000, 0.0044196700000000, 0.0067844900000000 ] - [ -0.0007181200000000, 0.0004932600000000, 0.0010600700000000 ] - [ 0.0002632700000000, 0.0004223000000000, 0.0007507900000000 ] - [ -0.0001649600000000, 0.0006942600000000, 0.0007434500000000 ] - [ -0.0019118200000000, -0.0009554100000000, -0.0009866200000000 ] - [ -0.0007276000000000, -0.0004415500000000, 0.0012991800000000 ] - [ -0.0000357000000000, -0.0003009500000000, 0.0009866500000000 ] - [ 0.0003398700000000, -0.0001580100000000, 0.0010788400000000 ]- atom: 49 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ 0.0001613900000000, 0.0019178900000000, -0.0039722800000000 ] - [ 0.0007228800000000, -0.0003360200000000, 0.0020896600000000 ] - [ -0.0005208500000000, -0.0002688100000000, -0.0018892300000000 ] - [ 0.0000666300000000, -0.0020209600000000, -0.0040843000000000 ] - [ -0.0003480100000000, 0.0008432100000000, 0.0000557300000000 ] - [ -0.0002752200000000, -0.0005933200000000, 0.0015699000000000 ] - [ -0.0002072700000000, -0.0002697600000000, 0.0010558100000000 ] - [ 0.0007425900000000, -0.0003762200000000, 0.0019289400000000 ] - [ -0.0002090300000000, 0.0006651100000000, 0.0016171000000000 ] - [ 0.0000199700000000, -0.0004943200000000, 0.0013036300000000 ] - [ 0.0010291000000000, 0.0009197300000000, -0.0010575500000000 ] - [ -0.0009398900000000, -0.0033126400000000, 0.0052921900000000 ] - [ -0.0000575400000000, 0.0003277900000000, 0.0011512400000000 ] - [ -0.0011649200000000, -0.0007463200000000, 0.0006139300000000 ] - [ -0.0067913800000000, 0.0038492200000000, -0.0129439300000000 ] - [ -0.0002424500000000, -0.0005208900000000, 0.0018746600000000 ] - [ -0.0005510000000000, -0.0004025600000000, -0.0000465600000000 ] - [ -0.0012418500000000, 0.0012737000000000, 0.0015514100000000 ] - [ -0.0001492800000000, 0.0003225300000000, 0.0013740100000000 ] - [ 0.0024948400000000, 0.0025746500000000, 0.0027318900000000 ] - [ -0.0047874700000000, -0.0006267200000000, -0.0065646200000000 ] - [ 0.0021135800000000, 0.0002442400000000, -0.0017856600000000 ] - [ 0.0116392600000000, 0.0022674500000000, -0.0078923500000000 ] - [ -0.0010612100000000, -0.0004232200000000, -0.0014781300000000 ] - [ 0.0022834600000000, -0.0030809000000000, 0.0028864600000000 ] - [ 0.0000508800000000, 0.0006021500000000, 0.0008713600000000 ] - [ 0.0000474600000000, -0.0000338100000000, 0.0008794700000000 ] - [ -0.0007764700000000, -0.0002606900000000, 0.0017519100000000 ] - [ 0.0003617300000000, 0.0009324400000000, 0.0010976900000000 ] - [ 0.0001925000000000, 0.0003659000000000, 0.0007093200000000 ] - [ -0.0003186700000000, 0.0004212900000000, 0.0009872200000000 ] - [ 0.0006261700000000, 0.0009807800000000, 0.0012555100000000 ] - [ 0.0006275800000000, 0.0005414100000000, 0.0065152700000000 ] - [ -0.0005950100000000, -0.0003209200000000, -0.0074875600000000 ] - [ 0.0261708700000000, 0.0852028300000000, -0.0940457700000000 ] - [ -0.0002078500000000, -0.0000840300000000, 0.0024524000000000 ] - [ -0.0031691300000000, 0.0014383800000000, -0.0006883300000000 ] - [ 0.0010096200000000, 0.0003616300000000, 0.0022158400000000 ] - [ -0.0011141000000000, 0.0004331200000000, 0.0011194000000000 ] - [ 0.0000969900000000, -0.0089775000000000, 0.0019551500000000 ] - [ 0.0011362800000000, -0.0007863900000000, 0.0022557500000000 ] - [ 0.0023324600000000, 0.0006993400000000, 0.0008893400000000 ] - [ -0.0013157300000000, -0.0013367500000000, 0.0023469600000000 ] - [ -0.0009058200000000, -0.0002749700000000, 0.0020950600000000 ] - [ 0.0010917900000000, -0.0020030300000000, -0.0041757700000000 ] - [ -0.0012483900000000, -0.0006205600000000, -0.0041434800000000 ] - [ -0.0001634000000000, 0.0008139300000000, 0.0021487800000000 ] - [ 0.0000145900000000, 0.0002691100000000, 0.0018718200000000 ] - [ -0.0416153700000000, -0.1186930200000000, 0.1464153900000000 ] - [ -0.0007041500000000, -0.0003013600000000, 0.0007800500000000 ] - [ -0.0000511200000000, 0.0001432700000000, -0.0008415000000000 ] - [ -0.0000593800000000, -0.0001992300000000, -0.0010819100000000 ] - [ -0.0006585200000000, -0.0000334700000000, -0.0016263900000000 ] - [ 0.0000298000000000, 0.0003007400000000, -0.0011473000000000 ] - [ -0.0037215900000000, 0.0030634200000000, 0.0081227300000000 ] - [ 0.0002732700000000, 0.0006996100000000, 0.0001074600000000 ] - [ -0.0007849900000000, 0.0021101100000000, 0.0019763600000000 ] - [ 0.0004755000000000, 0.0003687500000000, -0.0012146600000000 ] - [ -0.0001392200000000, 0.0004111100000000, 0.0007342800000000 ] - [ -0.0001319800000000, -0.0011308700000000, 0.0018257200000000 ] - [ 0.0016336300000000, 0.0004546100000000, 0.0028430600000000 ] - [ -0.0007354800000000, -0.0006515600000000, 0.0004929600000000 ] - [ -0.0007234200000000, 0.0003271400000000, -0.0006211000000000 ] - [ -0.0000214300000000, -0.0000911600000000, -0.0010036900000000 ] - [ 0.0000821200000000, 0.0002968200000000, -0.0008705100000000 ] - [ 0.0001955800000000, -0.0004009900000000, -0.0014182700000000 ] - [ -0.0001044000000000, 0.0001543800000000, -0.0008636300000000 ] - [ -0.0011890200000000, 0.0009421400000000, -0.0019269500000000 ] - [ 0.0007658300000000, 0.0004286200000000, 0.0013190800000000 ] - [ -0.0084211500000000, 0.0091701900000000, -0.0111927800000000 ] - [ 0.0118749300000000, 0.0152894200000000, -0.0099107300000000 ] - [ 0.0004290500000000, -0.0007208300000000, -0.0013392500000000 ] - [ 0.0022330500000000, 0.0002275100000000, 0.0015168100000000 ] - [ 0.0000009300000000, 0.0022832100000000, -0.0010027700000000 ] - [ 0.0012911100000000, 0.0021346000000000, -0.0012872600000000 ] - [ -0.0018818000000000, -0.0008408900000000, 0.0023611200000000 ] - [ 0.0000306000000000, -0.0000098100000000, -0.0011717800000000 ] - [ -0.0014681500000000, -0.0022932600000000, -0.0048503600000000 ] - [ 0.0003502100000000, 0.0001957400000000, -0.0017165800000000 ] - [ 0.0011153300000000, -0.0003468600000000, 0.0005224500000000 ] - [ -0.0015617700000000, 0.0005781700000000, 0.0023898700000000 ] - [ -0.0007016400000000, -0.0002415200000000, -0.0017461000000000 ] - [ 0.0004173000000000, -0.0003024300000000, -0.0005649500000000 ] - [ 0.0043272200000000, 0.0156404100000000, -0.0164752600000000 ] - [ -0.0005706300000000, 0.0006151300000000, -0.0001094400000000 ] - [ 0.0005040800000000, 0.0001955200000000, 0.0027861500000000 ] - [ 0.0005241700000000, -0.0002116900000000, -0.0007560100000000 ] - [ 0.0004136100000000, -0.0007927400000000, -0.0014024800000000 ] - [ -0.0002614700000000, -0.0001656500000000, -0.0010518400000000 ] - [ -0.0007729500000000, -0.0000368600000000, -0.0004198400000000 ] - [ 0.0008173400000000, 0.0001696100000000, -0.0009356700000000 ] - [ 0.0000403200000000, -0.0007600800000000, -0.0009794000000000 ] - [ -0.0001451000000000, -0.0005927800000000, -0.0027630200000000 ] - [ -0.0000705800000000, -0.0008649800000000, -0.0007404900000000 ] - [ 0.0000622600000000, 0.0001504400000000, -0.0001755400000000 ] - [ -0.0007681100000000, -0.0002145000000000, -0.0019599900000000 ] - [ 0.0014016000000000, -0.0007037700000000, 0.0009249700000000 ] - [ 0.0003345800000000, 0.0003706800000000, -0.0009736100000000 ] - [ 0.0013562300000000, 0.0001640800000000, 0.0001507600000000 ] - [ 0.0005304700000000, -0.0003975000000000, -0.0007334500000000 ] - [ -0.0001603500000000, 0.0002195600000000, -0.0007519000000000 ] - [ 0.0012989900000000, -0.0007984100000000, -0.0005359600000000 ] - [ 0.0000151300000000, -0.0016169500000000, -0.0013237400000000 ] - [ -0.0019624500000000, 0.0009075900000000, -0.0009590700000000 ] - [ 0.0011395300000000, 0.0024138800000000, 0.0011262700000000 ] - [ -0.0001572800000000, -0.0000273700000000, 0.0014045400000000 ] - [ 0.0001404600000000, -0.0002520800000000, -0.0008374700000000 ] - [ 0.0004313000000000, 0.0001903100000000, -0.0000163700000000 ] - [ 0.0001899500000000, 0.0005702100000000, -0.0009658300000000 ] - [ -0.0000663700000000, 0.0003545700000000, -0.0010687900000000 ] - [ 0.0057675400000000, -0.0044896300000000, 0.0085655100000000 ] - [ -0.0018410500000000, -0.0003686500000000, 0.0019548500000000 ] - [ 0.0030888900000000, -0.0058000900000000, -0.0078005200000000 ] - [ -0.0002801900000000, 0.0001366900000000, -0.0010811600000000 ] - [ 0.0002463400000000, 0.0013138900000000, -0.0016645900000000 ] - [ -0.0002086500000000, 0.0006132300000000, -0.0016555000000000 ] - [ 0.0007078300000000, 0.0010352500000000, 0.0015532700000000 ] - [ -0.0004730000000000, 0.0003408000000000, -0.0007107800000000 ] - [ 0.0005439900000000, -0.0002555900000000, -0.0008334300000000 ] - [ 0.0006620200000000, -0.0004713000000000, -0.0010533800000000 ]- atom: 50 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ 0.0006268400000000, -0.0014335700000000, -0.0009586200000000 ] - [ 0.0000045700000000, -0.0003319300000000, 0.0003657200000000 ] - [ 0.0006679800000000, -0.0001409600000000, 0.0005139900000000 ] - [ -0.0018008100000000, -0.0008668000000000, -0.0007877700000000 ] - [ 0.0388533900000000, 0.0178553100000000, 0.0114703200000000 ] - [ -0.0001012100000000, -0.0006084500000000, 0.0006871700000000 ] - [ -0.0002626100000000, -0.0004743500000000, 0.0005200200000000 ] - [ -0.0000523900000000, -0.0002729200000000, 0.0001668500000000 ] - [ -0.0008617600000000, 0.0012967300000000, 0.0007926500000000 ] - [ -0.0001283100000000, -0.0001258100000000, 0.0003598800000000 ] - [ -0.0011254000000000, 0.0014403100000000, -0.0006340000000000 ] - [ -0.0023744600000000, 0.0001473500000000, 0.0001100400000000 ] - [ -0.0003898600000000, 0.0007110800000000, -0.0004907300000000 ] - [ 0.0000923800000000, -0.0008635700000000, 0.0003159300000000 ] - [ -0.0012910600000000, -0.0002068700000000, -0.0009287900000000 ] - [ 0.0004803700000000, -0.0004620000000000, 0.0004485300000000 ] - [ 0.0008347500000000, 0.0003380700000000, -0.0012811500000000 ] - [ -0.0039319300000000, -0.0002644800000000, 0.0001444100000000 ] - [ -0.0005333900000000, -0.0000009900000000, -0.0003579000000000 ] - [ 0.0285779200000000, -0.0055741200000000, -0.0080327900000000 ] - [ -0.0073820500000000, -0.0006455600000000, 0.0030681000000000 ] - [ -0.0001986400000000, -0.0008000600000000, 0.0006923800000000 ] - [ 0.0005974200000000, 0.0005878600000000, -0.0016321200000000 ] - [ 0.0003669800000000, -0.0003732400000000, 0.0009241600000000 ] - [ 0.0016791000000000, -0.0029726000000000, 0.0011787000000000 ] - [ 0.0001571200000000, 0.0005011100000000, -0.0001421900000000 ] - [ 0.0000939700000000, 0.0001551600000000, 0.0004018100000000 ] - [ 0.0000077400000000, -0.0002551900000000, 0.0004129700000000 ] - [ 0.0000907000000000, 0.0005530400000000, 0.0002675000000000 ] - [ 0.0006765000000000, 0.0008932400000000, -0.0005639900000000 ] - [ 0.0002112600000000, 0.0003077000000000, -0.0000563100000000 ] - [ 0.0015071400000000, 0.0001474300000000, 0.0009542400000000 ] - [ -0.0001044900000000, -0.0003951200000000, 0.0000112600000000 ] - [ 0.0463638900000000, -0.0267367800000000, -0.0202982800000000 ] - [ -0.0078947200000000, 0.0006369300000000, -0.0094521700000000 ] - [ 0.0000943200000000, -0.0001925800000000, 0.0005528900000000 ] - [ -0.0003457400000000, 0.0009201000000000, -0.0004100700000000 ] - [ 0.0007933200000000, 0.0003461000000000, 0.0003307800000000 ] - [ -0.0009103100000000, -0.0002469100000000, -0.0012863700000000 ] - [ -0.0003967000000000, -0.0003973500000000, -0.0005244200000000 ] - [ 0.0010046200000000, 0.0023682900000000, 0.0011646900000000 ] - [ 0.0005416100000000, 0.0009917500000000, 0.0013077400000000 ] - [ -0.0045799300000000, -0.0009224400000000, 0.0003168400000000 ] - [ -0.0012074700000000, -0.0002968300000000, 0.0000801100000000 ] - [ 0.0072989100000000, 0.0015205400000000, 0.0021133100000000 ] - [ -0.0018126200000000, -0.0015745800000000, 0.0013997700000000 ] - [ 0.0008419300000000, 0.0055526900000000, -0.0036863700000000 ] - [ 0.0001840100000000, 0.0001801100000000, -0.0001086300000000 ] - [ 0.0008499100000000, -0.0010311800000000, 0.0020390100000000 ] - [ -0.1411639100000000, 0.0068889000000000, 0.0290780000000000 ] - [ 0.0003124400000000, 0.0000822100000000, 0.0002491200000000 ] - [ 0.0002773500000000, -0.0006306100000000, -0.0004461600000000 ] - [ -0.0004144600000000, -0.0000788100000000, -0.0006729700000000 ] - [ -0.0002500500000000, 0.0002344800000000, -0.0003958900000000 ] - [ 0.0012320800000000, 0.0016993300000000, 0.0025691100000000 ] - [ -0.0001456100000000, 0.0001065200000000, 0.0006667100000000 ] - [ -0.0000559800000000, -0.0000388600000000, 0.0002735300000000 ] - [ 0.0006984500000000, 0.0000795100000000, -0.0004074000000000 ] - [ 0.0001227000000000, 0.0002468200000000, -0.0003908100000000 ] - [ 0.0011114600000000, 0.0000561400000000, -0.0003173300000000 ] - [ 0.0005213300000000, 0.0001446900000000, 0.0000257800000000 ] - [ -0.0002038400000000, -0.0009264700000000, 0.0001464200000000 ] - [ -0.0008077300000000, -0.0006602500000000, 0.0002654200000000 ] - [ 0.0001942400000000, 0.0002391500000000, -0.0001564200000000 ] - [ -0.0001227800000000, 0.0002772300000000, -0.0001572300000000 ] - [ 0.0023978600000000, -0.0004518500000000, 0.0007677500000000 ] - [ -0.0000751700000000, 0.0003571800000000, -0.0004117800000000 ] - [ 0.0003147100000000, -0.0006384200000000, 0.0005007800000000 ] - [ -0.0034810100000000, 0.0079066200000000, -0.0043113600000000 ] - [ 0.0202719300000000, 0.0151635200000000, 0.0102121700000000 ] - [ 0.0072173000000000, 0.0005747700000000, 0.0014648700000000 ] - [ 0.0010976100000000, -0.0002620500000000, -0.0003663500000000 ] - [ 0.0176260100000000, -0.0160634100000000, -0.0181653000000000 ] - [ 0.0010857300000000, 0.0008744200000000, -0.0003443800000000 ] - [ -0.0004597100000000, 0.0003006600000000, 0.0001121300000000 ] - [ 0.0016478000000000, 0.0003662400000000, -0.0014536600000000 ] - [ -0.0000989800000000, 0.0001080500000000, -0.0002387000000000 ] - [ 0.0008134000000000, 0.0002930700000000, -0.0001567400000000 ] - [ 0.0001275800000000, -0.0002869300000000, 0.0001327000000000 ] - [ 0.0029341300000000, 0.0020300300000000, -0.0001258100000000 ] - [ -0.0018287200000000, -0.0023082300000000, 0.0011858700000000 ] - [ -0.0012397200000000, -0.0012714500000000, -0.0016915000000000 ] - [ -0.0001694900000000, -0.0002511900000000, -0.0000038300000000 ] - [ -0.0001674700000000, -0.0003765500000000, -0.0002236000000000 ] - [ -0.0030965300000000, -0.0035883300000000, -0.0056500800000000 ] - [ 0.0015683100000000, -0.0009290900000000, -0.0008698600000000 ] - [ -0.0010328800000000, -0.0008390500000000, 0.0009081300000000 ] - [ 0.0002356300000000, -0.0003105400000000, -0.0001631200000000 ] - [ -0.0004182700000000, 0.0001842000000000, 0.0000674100000000 ] - [ -0.0002737600000000, -0.0001106600000000, -0.0004037500000000 ] - [ 0.0004472500000000, -0.0006846500000000, 0.0006186300000000 ] - [ 0.0000882700000000, -0.0003456400000000, -0.0001105500000000 ] - [ 0.0025089900000000, 0.0014004500000000, -0.0032478100000000 ] - [ 0.0024672500000000, -0.0000537200000000, -0.0014034000000000 ] - [ -0.0002097800000000, 0.0002455700000000, -0.0002826800000000 ] - [ -0.0002049400000000, -0.0001942300000000, -0.0006879200000000 ] - [ -0.0001426500000000, 0.0001245000000000, -0.0000561900000000 ] - [ 0.0001199600000000, 0.0001075400000000, -0.0000604900000000 ] - [ 0.0001930700000000, 0.0001756000000000, 0.0006914100000000 ] - [ 0.0010117800000000, 0.0000586300000000, -0.0000342400000000 ] - [ 0.0003732300000000, 0.0002189700000000, 0.0006174000000000 ] - [ 0.0000003800000000, -0.0009266800000000, -0.0006507000000000 ] - [ 0.0001759000000000, -0.0002080500000000, 0.0004969400000000 ] - [ -0.0001513000000000, 0.0002269200000000, -0.0010734900000000 ] - [ 0.0006634700000000, -0.0001046900000000, 0.0003023100000000 ] - [ -0.0014414300000000, 0.0007364600000000, -0.0008399200000000 ] - [ -0.0001421500000000, -0.0002301600000000, -0.0002830200000000 ] - [ 0.0060291300000000, -0.0030973400000000, 0.0072099700000000 ] - [ -0.0001056500000000, 0.0005769200000000, 0.0003375500000000 ] - [ -0.0002547100000000, -0.0000241100000000, -0.0000523900000000 ] - [ -0.0042459900000000, 0.0043552800000000, 0.0051873500000000 ] - [ -0.0084852500000000, 0.0001797800000000, 0.0008962000000000 ] - [ -0.0000044400000000, -0.0007265800000000, 0.0002991400000000 ] - [ -0.0005982300000000, 0.0003041900000000, -0.0002054200000000 ] - [ 0.0010697800000000, 0.0012679900000000, -0.0009560100000000 ] - [ 0.0007716700000000, -0.0002479700000000, 0.0011539800000000 ] - [ -0.0024024900000000, 0.0002823500000000, -0.0003832900000000 ] - [ -0.0004268100000000, -0.0000185400000000, 0.0001240900000000 ] - [ 0.0004375300000000, -0.0002682500000000, -0.0000604800000000 ] - [ 0.0003433800000000, -0.0003052000000000, -0.0001279100000000 ]- atom: 50 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ -0.0007943200000000, 0.0009092500000000, 0.0008728700000000 ] - [ 0.0002105100000000, -0.0003817700000000, 0.0001178600000000 ] - [ -0.0001287100000000, -0.0008144100000000, -0.0010973800000000 ] - [ 0.0010750500000000, 0.0000248500000000, 0.0001978300000000 ] - [ -0.0371416300000000, -0.0157929600000000, -0.0101198800000000 ] - [ -0.0001879100000000, -0.0005836300000000, 0.0003139400000000 ] - [ -0.0002706900000000, -0.0004822500000000, 0.0000566600000000 ] - [ 0.0002032100000000, -0.0002241500000000, -0.0000892200000000 ] - [ 0.0006398800000000, 0.0003398800000000, -0.0006352900000000 ] - [ -0.0000172300000000, -0.0001746900000000, -0.0006739700000000 ] - [ 0.0008341100000000, -0.0002556000000000, 0.0016412200000000 ] - [ 0.0031058100000000, 0.0007022600000000, 0.0004794600000000 ] - [ 0.0001760900000000, 0.0000042200000000, 0.0000021800000000 ] - [ -0.0003120600000000, -0.0007772800000000, -0.0001585300000000 ] - [ 0.0015300000000000, -0.0004244300000000, 0.0002993400000000 ] - [ 0.0002460000000000, -0.0003818400000000, 0.0001423300000000 ] - [ -0.0006524400000000, 0.0001446500000000, 0.0013663000000000 ] - [ 0.0036909700000000, 0.0008938300000000, 0.0004857500000000 ] - [ 0.0003813400000000, 0.0004980000000000, 0.0002737900000000 ] - [ -0.0302634200000000, 0.0056951500000000, 0.0094970000000000 ] - [ 0.0076710700000000, -0.0005488600000000, -0.0040640900000000 ] - [ 0.0004199800000000, -0.0008401000000000, -0.0008488600000000 ] - [ -0.0008411900000000, -0.0012822400000000, 0.0011204100000000 ] - [ -0.0004974800000000, 0.0006745300000000, -0.0012301200000000 ] - [ -0.0022532400000000, 0.0039435500000000, -0.0005824400000000 ] - [ 0.0001322800000000, 0.0006909700000000, -0.0008639200000000 ] - [ 0.0000519500000000, 0.0001460100000000, -0.0000920000000000 ] - [ -0.0002471000000000, -0.0003765800000000, 0.0002178800000000 ] - [ 0.0004437900000000, 0.0004020900000000, -0.0008490900000000 ] - [ -0.0004378300000000, -0.0002617600000000, -0.0000693600000000 ] - [ -0.0009371500000000, 0.0005361400000000, -0.0005402500000000 ] - [ -0.0012897800000000, 0.0014948800000000, -0.0011175600000000 ] - [ 0.0009235200000000, -0.0004122200000000, 0.0006228800000000 ] - [ -0.0487820800000000, 0.0277916100000000, 0.0204618800000000 ] - [ 0.0077043400000000, -0.0003383100000000, 0.0105061000000000 ] - [ -0.0002794200000000, -0.0001222500000000, 0.0004410600000000 ] - [ -0.0012971200000000, 0.0009425400000000, -0.0012329000000000 ] - [ 0.0011442400000000, 0.0003018800000000, -0.0001778200000000 ] - [ 0.0000961300000000, 0.0010484300000000, 0.0006518100000000 ] - [ -0.0004347700000000, -0.0004079900000000, -0.0001206800000000 ] - [ 0.0006396000000000, -0.0042384200000000, 0.0004780100000000 ] - [ 0.0011083900000000, 0.0008697000000000, 0.0003260200000000 ] - [ 0.0029388800000000, -0.0009428700000000, -0.0019545200000000 ] - [ -0.0007272300000000, -0.0003507700000000, -0.0002420900000000 ] - [ -0.0053930800000000, -0.0021735300000000, -0.0019486000000000 ] - [ 0.0020102600000000, 0.0012422900000000, -0.0023820800000000 ] - [ -0.0000086100000000, -0.0047221400000000, 0.0043236900000000 ] - [ 0.0000016600000000, 0.0001348600000000, -0.0008930500000000 ] - [ -0.0013827200000000, 0.0005583400000000, -0.0020445400000000 ] - [ 0.1432053600000000, -0.0087275300000000, -0.0317702700000000 ] - [ 0.0004100400000000, 0.0000860800000000, 0.0008509200000000 ] - [ -0.0000781500000000, 0.0001281100000000, 0.0004579600000000 ] - [ -0.0003070700000000, -0.0000902600000000, -0.0004228400000000 ] - [ 0.0004103600000000, 0.0002273700000000, 0.0001364400000000 ] - [ -0.0007407500000000, -0.0018706400000000, -0.0027930600000000 ] - [ 0.0005145800000000, 0.0011866100000000, 0.0002297200000000 ] - [ 0.0000032200000000, -0.0005376800000000, -0.0005011900000000 ] - [ 0.0004975100000000, 0.0000231500000000, -0.0001820200000000 ] - [ 0.0000749800000000, 0.0002591400000000, 0.0004038100000000 ] - [ -0.0021158100000000, -0.0006852000000000, 0.0002863800000000 ] - [ 0.0001940500000000, -0.0003123700000000, 0.0010689400000000 ] - [ -0.0003058800000000, -0.0008158700000000, 0.0007720900000000 ] - [ 0.0001183200000000, 0.0007248200000000, -0.0006304500000000 ] - [ -0.0000004700000000, 0.0002915000000000, 0.0000251100000000 ] - [ -0.0003822100000000, 0.0002812800000000, 0.0000057500000000 ] - [ -0.0015826300000000, 0.0000836400000000, 0.0009845900000000 ] - [ 0.0002054300000000, 0.0001391600000000, 0.0006860300000000 ] - [ 0.0000591700000000, -0.0006713500000000, 0.0004244000000000 ] - [ 0.0030159700000000, -0.0074870500000000, 0.0032348000000000 ] - [ -0.0213209200000000, -0.0152694900000000, -0.0114166900000000 ] - [ -0.0062463600000000, 0.0000599400000000, -0.0014532700000000 ] - [ -0.0004031100000000, 0.0003158100000000, 0.0007219700000000 ] - [ -0.0168355500000000, 0.0163519400000000, 0.0180360900000000 ] - [ -0.0012151600000000, -0.0003852500000000, 0.0000758600000000 ] - [ 0.0000028400000000, 0.0002945000000000, 0.0000116600000000 ] - [ -0.0014872900000000, -0.0008247700000000, 0.0011856900000000 ] - [ -0.0000604500000000, 0.0002970100000000, -0.0006766100000000 ] - [ -0.0003531500000000, 0.0003026600000000, 0.0000340200000000 ] - [ -0.0000685700000000, -0.0002929800000000, 0.0000975900000000 ] - [ -0.0023565300000000, -0.0015222300000000, 0.0001049100000000 ] - [ 0.0013314500000000, 0.0017640300000000, -0.0013522000000000 ] - [ 0.0004291500000000, 0.0009106300000000, -0.0000546900000000 ] - [ 0.0000105600000000, -0.0002098000000000, 0.0002672500000000 ] - [ 0.0000132300000000, -0.0000337100000000, -0.0006874800000000 ] - [ 0.0025955600000000, 0.0053348300000000, 0.0065961700000000 ] - [ -0.0014338800000000, 0.0004277900000000, 0.0011315800000000 ] - [ 0.0014873600000000, 0.0002394700000000, -0.0010315100000000 ] - [ 0.0003041600000000, -0.0001658400000000, 0.0001555500000000 ] - [ -0.0001216600000000, 0.0002932100000000, -0.0000554800000000 ] - [ -0.0004219100000000, 0.0000597100000000, 0.0000514300000000 ] - [ -0.0003976200000000, 0.0012515200000000, -0.0003971800000000 ] - [ -0.0002824500000000, -0.0001826700000000, 0.0002459400000000 ] - [ -0.0027289600000000, -0.0019302300000000, 0.0032674300000000 ] - [ -0.0026373200000000, 0.0005069400000000, 0.0016956900000000 ] - [ 0.0000068700000000, 0.0002603600000000, 0.0002721800000000 ] - [ -0.0002415600000000, -0.0001911600000000, -0.0003827900000000 ] - [ 0.0008307900000000, -0.0001757200000000, 0.0004141500000000 ] - [ 0.0003563300000000, 0.0000466900000000, -0.0001263700000000 ] - [ 0.0006224000000000, 0.0001922700000000, 0.0010598500000000 ] - [ -0.0014753500000000, -0.0006511700000000, 0.0001597500000000 ] - [ 0.0000761200000000, 0.0001661700000000, 0.0004604500000000 ] - [ 0.0005067900000000, -0.0008168300000000, -0.0002655800000000 ] - [ -0.0000170500000000, -0.0001997800000000, 0.0004167300000000 ] - [ -0.0006631700000000, 0.0001394900000000, -0.0006770100000000 ] - [ -0.0011497700000000, 0.0002617500000000, -0.0001123300000000 ] - [ 0.0012437400000000, -0.0001939200000000, 0.0009708800000000 ] - [ 0.0000112200000000, -0.0002675500000000, 0.0000137400000000 ] - [ -0.0058198100000000, 0.0034856200000000, -0.0062331700000000 ] - [ 0.0000469800000000, 0.0000016700000000, -0.0005640000000000 ] - [ -0.0002206400000000, -0.0001310400000000, 0.0002430100000000 ] - [ 0.0047304100000000, -0.0047000500000000, -0.0040897700000000 ] - [ 0.0086668000000000, -0.0006008300000000, -0.0010231700000000 ] - [ -0.0003568500000000, -0.0005866500000000, -0.0012046300000000 ] - [ -0.0004075400000000, 0.0003299000000000, 0.0001835200000000 ] - [ -0.0005642800000000, 0.0004709700000000, 0.0000390500000000 ] - [ -0.0011417100000000, 0.0015516900000000, -0.0020699000000000 ] - [ 0.0012003500000000, -0.0001940000000000, 0.0009875600000000 ] - [ -0.0007698900000000, -0.0000847600000000, 0.0004683000000000 ] - [ 0.0000652100000000, -0.0002906400000000, 0.0002158100000000 ] - [ 0.0006623800000000, -0.0003273500000000, 0.0001548400000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007923500000000, -0.0034780200000000, -0.0019505000000000 ] - [ 0.0000262700000000, -0.0004682500000000, -0.0002643000000000 ] - [ -0.0001461600000000, -0.0016568600000000, -0.0000599700000000 ] - [ -0.0002751400000000, -0.0014674800000000, -0.0000387100000000 ] - [ 0.0179795400000000, 0.0132002700000000, 0.0110663000000000 ] - [ -0.0001457000000000, -0.0005897300000000, 0.0000646800000000 ] - [ -0.0002764600000000, -0.0004801300000000, -0.0001527900000000 ] - [ -0.0000029400000000, -0.0001382100000000, -0.0004527300000000 ] - [ -0.0000639200000000, -0.0003550200000000, 0.0003343400000000 ] - [ 0.0000512200000000, -0.0004162800000000, -0.0005243700000000 ] - [ 0.0012017400000000, -0.0012041200000000, 0.0007268400000000 ] - [ 0.0005200800000000, -0.0003152400000000, 0.0014829600000000 ] - [ -0.0002437300000000, 0.0002429400000000, -0.0006308800000000 ] - [ -0.0000816100000000, -0.0007561800000000, -0.0001266000000000 ] - [ 0.0003627000000000, 0.0002365700000000, -0.0006363500000000 ] - [ 0.0004291300000000, -0.0003313700000000, -0.0002521400000000 ] - [ 0.0041256000000000, -0.0069546600000000, 0.0016711800000000 ] - [ 0.0000891800000000, 0.0011419300000000, 0.0005826600000000 ] - [ -0.0002659400000000, 0.0004296300000000, -0.0004577600000000 ] - [ 0.0018831700000000, 0.0077114400000000, 0.0001584900000000 ] - [ 0.0038969000000000, -0.0008436400000000, -0.0031103400000000 ] - [ 0.0001226700000000, -0.0009758200000000, -0.0007107000000000 ] - [ 0.0000574400000000, 0.0031441900000000, -0.0008429600000000 ] - [ -0.0011397500000000, 0.0014126800000000, 0.0002996900000000 ] - [ -0.0055216200000000, -0.0014209800000000, 0.0046469200000000 ] - [ 0.0002087800000000, 0.0008254900000000, -0.0009649000000000 ] - [ 0.0000690900000000, 0.0001567500000000, -0.0003024900000000 ] - [ -0.0000793600000000, -0.0004983500000000, -0.0000974000000000 ] - [ 0.0006854800000000, 0.0005639400000000, -0.0008927600000000 ] - [ 0.0000633900000000, -0.0003095500000000, -0.0004489000000000 ] - [ -0.0005548900000000, 0.0005275500000000, -0.0011125300000000 ] - [ 0.0002589800000000, 0.0026041900000000, -0.0003765000000000 ] - [ -0.0000637900000000, -0.0004283800000000, -0.0009917400000000 ] - [ -0.0304515400000000, 0.1317213800000000, 0.0744287800000000 ] - [ -0.0019367100000000, 0.0006671700000000, -0.0022106000000000 ] - [ -0.0001434700000000, -0.0001149200000000, -0.0002036800000000 ] - [ -0.0006263700000000, 0.0016034800000000, -0.0019933100000000 ] - [ 0.0009987400000000, 0.0003010100000000, -0.0005992700000000 ] - [ -0.0011950400000000, 0.0001315300000000, -0.0014855500000000 ] - [ -0.0002787400000000, -0.0005064200000000, -0.0005537200000000 ] - [ 0.0017757000000000, -0.0080627000000000, 0.0004264200000000 ] - [ 0.0006093000000000, 0.0008170700000000, 0.0004578100000000 ] - [ -0.0014223200000000, -0.0007492500000000, -0.0003623900000000 ] - [ -0.0009004300000000, -0.0003384100000000, -0.0007448200000000 ] - [ 0.0021973100000000, -0.0067470100000000, 0.0112144000000000 ] - [ -0.0014893500000000, -0.0020279800000000, 0.0008350600000000 ] - [ 0.0012634200000000, 0.0039234700000000, 0.0009805500000000 ] - [ 0.0001295400000000, 0.0001074900000000, -0.0013249000000000 ] - [ 0.0002286700000000, -0.0011326200000000, 0.0005462400000000 ] - [ 0.0069952800000000, -0.1948833300000000, -0.1103406800000000 ] - [ 0.0004631800000000, 0.0000972300000000, 0.0010652500000000 ] - [ -0.0007644600000000, 0.0010783600000000, 0.0004318400000000 ] - [ -0.0002124400000000, -0.0001110200000000, -0.0000897900000000 ] - [ -0.0000230500000000, 0.0003558100000000, -0.0000391200000000 ] - [ 0.0010150200000000, 0.0008285300000000, 0.0001771500000000 ] - [ 0.0012874200000000, 0.0012937400000000, 0.0012745400000000 ] - [ -0.0001966900000000, 0.0000541900000000, -0.0000065300000000 ] - [ 0.0005691300000000, -0.0000584000000000, 0.0000283000000000 ] - [ 0.0002591100000000, 0.0003352000000000, -0.0000488500000000 ] - [ -0.0005250300000000, 0.0002635400000000, -0.0007281200000000 ] - [ 0.0008622500000000, 0.0001391100000000, -0.0004913800000000 ] - [ -0.0001916500000000, -0.0007421100000000, 0.0007720300000000 ] - [ -0.0002270500000000, 0.0033424600000000, -0.0021284500000000 ] - [ 0.0000736100000000, 0.0003868400000000, 0.0002589800000000 ] - [ -0.0003388800000000, 0.0002781600000000, 0.0001955400000000 ] - [ 0.0007010400000000, -0.0008965800000000, 0.0004268900000000 ] - [ -0.0000944100000000, -0.0000552300000000, 0.0010271700000000 ] - [ 0.0002436800000000, -0.0006183500000000, 0.0007582700000000 ] - [ 0.0019043000000000, 0.0217847100000000, -0.0081219300000000 ] - [ 0.0086294600000000, 0.0006680400000000, 0.0015913200000000 ] - [ 0.0006495000000000, 0.0005316100000000, -0.0001126000000000 ] - [ 0.0003947900000000, -0.0003049300000000, -0.0000131600000000 ] - [ -0.0114138500000000, 0.0010865800000000, 0.0076902800000000 ] - [ 0.0003083100000000, 0.0014513500000000, -0.0007436900000000 ] - [ -0.0003826500000000, 0.0003238700000000, 0.0002149500000000 ] - [ -0.0004093700000000, -0.0010016000000000, 0.0008982700000000 ] - [ 0.0001186800000000, 0.0007363100000000, -0.0000617000000000 ] - [ 0.0002078700000000, 0.0003267700000000, 0.0003145100000000 ] - [ 0.0000554900000000, -0.0006162200000000, 0.0007068200000000 ] - [ 0.0012290500000000, 0.0008685700000000, -0.0006151600000000 ] - [ -0.0016977000000000, 0.0023250800000000, -0.0025139200000000 ] - [ 0.0000418100000000, 0.0013973900000000, -0.0000971000000000 ] - [ -0.0000948900000000, -0.0001609100000000, 0.0004070400000000 ] - [ -0.0003518700000000, -0.0004337600000000, -0.0004872900000000 ] - [ -0.0021633600000000, 0.0060261300000000, 0.0112122200000000 ] - [ -0.0003041000000000, 0.0005878900000000, 0.0007798400000000 ] - [ 0.0000483200000000, -0.0008254500000000, -0.0006005400000000 ] - [ 0.0002475300000000, -0.0000396800000000, 0.0004213200000000 ] - [ -0.0002879400000000, 0.0004244200000000, 0.0003502500000000 ] - [ -0.0003082600000000, 0.0000186200000000, 0.0000507400000000 ] - [ -0.0009544200000000, -0.0004781800000000, -0.0012960600000000 ] - [ -0.0001190100000000, -0.0001809700000000, 0.0003454600000000 ] - [ 0.0005570400000000, -0.0012689900000000, -0.0013066800000000 ] - [ -0.0029475600000000, 0.0006976000000000, 0.0006130100000000 ] - [ -0.0001183800000000, 0.0001446900000000, 0.0004799100000000 ] - [ -0.0001187100000000, -0.0001962900000000, -0.0001404500000000 ] - [ 0.0001086900000000, 0.0001262400000000, 0.0009668900000000 ] - [ 0.0002555300000000, -0.0001073000000000, 0.0002484800000000 ] - [ 0.0004172200000000, 0.0001083400000000, 0.0012915700000000 ] - [ -0.0002284200000000, -0.0000433500000000, 0.0003475500000000 ] - [ 0.0003505600000000, 0.0002011700000000, 0.0009027500000000 ] - [ 0.0002468400000000, -0.0013429100000000, -0.0003884600000000 ] - [ 0.0001453500000000, 0.0001738000000000, 0.0009771200000000 ] - [ -0.0003312900000000, 0.0000658900000000, -0.0007542200000000 ] - [ 0.0002342300000000, 0.0018448700000000, -0.0000599800000000 ] - [ -0.0005012600000000, 0.0036134900000000, -0.0021935300000000 ] - [ -0.0000581500000000, -0.0002822100000000, 0.0001757400000000 ] - [ 0.0029113400000000, -0.0023441000000000, 0.0025109300000000 ] - [ 0.0001170000000000, 0.0001356400000000, 0.0003893600000000 ] - [ -0.0002943500000000, -0.0002372300000000, 0.0005002800000000 ] - [ 0.0043885100000000, 0.0009267000000000, 0.0089092100000000 ] - [ -0.0013674500000000, 0.0239753200000000, -0.0000450900000000 ] - [ 0.0005706200000000, -0.0008585400000000, 0.0012716300000000 ] - [ -0.0005463300000000, 0.0003800000000000, 0.0004288200000000 ] - [ 0.0002764600000000, 0.0010242600000000, -0.0005820400000000 ] - [ -0.0000530300000000, 0.0000778400000000, -0.0001062500000000 ] - [ -0.0003553200000000, -0.0004013500000000, -0.0037298100000000 ] - [ -0.0006311300000000, -0.0001123100000000, 0.0005829200000000 ] - [ 0.0000905500000000, -0.0003092500000000, 0.0003763700000000 ] - [ 0.0005009100000000, -0.0002983600000000, 0.0004243000000000 ]- atom: 50 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006572300000000, 0.0029970200000000, 0.0018965100000000 ] - [ 0.0001912300000000, -0.0002441300000000, 0.0007535000000000 ] - [ 0.0006715300000000, 0.0007023000000000, -0.0005225400000000 ] - [ -0.0004502700000000, 0.0006252200000000, -0.0005565100000000 ] - [ -0.0168875200000000, -0.0121693700000000, -0.0101071100000000 ] - [ -0.0001445200000000, -0.0006021300000000, 0.0009403200000000 ] - [ -0.0002586100000000, -0.0004762200000000, 0.0007351300000000 ] - [ 0.0001569700000000, -0.0003603000000000, 0.0005364100000000 ] - [ -0.0001535800000000, 0.0019978300000000, -0.0001769800000000 ] - [ -0.0001951700000000, 0.0001122400000000, 0.0002135500000000 ] - [ -0.0014816700000000, 0.0024009700000000, 0.0002678700000000 ] - [ 0.0002022800000000, 0.0011539600000000, -0.0008965100000000 ] - [ 0.0000272400000000, 0.0004681300000000, 0.0001480300000000 ] - [ -0.0001397200000000, -0.0008855800000000, 0.0002891900000000 ] - [ -0.0001243200000000, -0.0008684100000000, 0.0000027900000000 ] - [ 0.0002961400000000, -0.0005128800000000, 0.0008491500000000 ] - [ -0.0040562300000000, 0.0074968000000000, -0.0016509400000000 ] - [ -0.0003175400000000, -0.0005055900000000, 0.0000458000000000 ] - [ 0.0001133600000000, 0.0000706700000000, 0.0003823200000000 ] - [ -0.0016570100000000, -0.0080528800000000, 0.0001440000000000 ] - [ -0.0036215500000000, -0.0003396900000000, 0.0021178800000000 ] - [ 0.0000984900000000, -0.0006614900000000, 0.0005524000000000 ] - [ -0.0002756100000000, -0.0038751800000000, 0.0003421100000000 ] - [ 0.0009990800000000, -0.0011132300000000, -0.0006060100000000 ] - [ 0.0050615300000000, 0.0023625600000000, -0.0041072100000000 ] - [ 0.0000809200000000, 0.0003668600000000, -0.0000348000000000 ] - [ 0.0000752200000000, 0.0001449900000000, 0.0006175400000000 ] - [ -0.0001596200000000, -0.0001319100000000, 0.0007326800000000 ] - [ -0.0001502500000000, 0.0003969100000000, 0.0003150500000000 ] - [ 0.0001760600000000, 0.0009381900000000, -0.0001820600000000 ] - [ -0.0001714500000000, 0.0003188900000000, 0.0005213100000000 ] - [ -0.0000384700000000, -0.0009645400000000, 0.0002306200000000 ] - [ 0.0008950100000000, -0.0003786900000000, 0.0016403800000000 ] - [ 0.0303283000000000, -0.1366187500000000, -0.0796565500000000 ] - [ 0.0017429000000000, -0.0003470900000000, 0.0031824500000000 ] - [ -0.0000428800000000, -0.0001995800000000, 0.0012063200000000 ] - [ -0.0010232800000000, 0.0002575000000000, 0.0003656500000000 ] - [ 0.0009385500000000, 0.0003468700000000, 0.0007595100000000 ] - [ 0.0003600800000000, 0.0006850900000000, 0.0008394200000000 ] - [ -0.0005480800000000, -0.0003006600000000, -0.0000858900000000 ] - [ -0.0001326200000000, 0.0062391200000000, 0.0012009700000000 ] - [ 0.0010372500000000, 0.0010441100000000, 0.0011778800000000 ] - [ -0.0002373000000000, -0.0011131100000000, -0.0012640500000000 ] - [ -0.0010361000000000, -0.0003095700000000, 0.0005947400000000 ] - [ -0.0002831000000000, 0.0061053800000000, -0.0110323500000000 ] - [ 0.0016701200000000, 0.0017429400000000, -0.0018484400000000 ] - [ -0.0004369200000000, -0.0031783600000000, -0.0003276200000000 ] - [ 0.0000568400000000, 0.0002080800000000, 0.0003317800000000 ] - [ -0.0007702600000000, 0.0006582500000000, -0.0005372600000000 ] - [ -0.0087403000000000, 0.2004081600000000, 0.1147370900000000 ] - [ 0.0002562100000000, 0.0000714000000000, 0.0000271100000000 ] - [ 0.0009549700000000, -0.0015881400000000, -0.0004126100000000 ] - [ -0.0005089900000000, -0.0000567900000000, -0.0010092500000000 ] - [ 0.0001841400000000, 0.0001075300000000, -0.0002239400000000 ] - [ -0.0005405600000000, -0.0009812700000000, -0.0003602400000000 ] - [ -0.0008933200000000, 0.0000156000000000, -0.0003358700000000 ] - [ 0.0001382800000000, -0.0006313000000000, -0.0002168800000000 ] - [ 0.0006280000000000, 0.0001639400000000, -0.0006208300000000 ] - [ -0.0000599400000000, 0.0001713700000000, 0.0000628300000000 ] - [ -0.0004790100000000, -0.0008999700000000, 0.0007085800000000 ] - [ -0.0001376300000000, -0.0003116400000000, 0.0015907800000000 ] - [ -0.0003185100000000, -0.0009976400000000, 0.0001442300000000 ] - [ -0.0004766700000000, -0.0033141000000000, 0.0018030600000000 ] - [ 0.0001213000000000, 0.0001398400000000, -0.0003948700000000 ] - [ -0.0001654200000000, 0.0002793200000000, -0.0003506300000000 ] - [ 0.0001106200000000, 0.0005363600000000, 0.0013198200000000 ] - [ 0.0002253800000000, 0.0005520800000000, -0.0007556400000000 ] - [ 0.0001302900000000, -0.0006908000000000, 0.0001621800000000 ] - [ -0.0022417400000000, -0.0211800700000000, 0.0070095700000000 ] - [ -0.0094128100000000, -0.0004131800000000, -0.0026482600000000 ] - [ 0.0003512700000000, 0.0000979200000000, 0.0001412200000000 ] - [ 0.0003007200000000, 0.0003561200000000, 0.0003640100000000 ] - [ 0.0121656000000000, -0.0005280400000000, -0.0076663900000000 ] - [ -0.0004443900000000, -0.0009516700000000, 0.0004744600000000 ] - [ -0.0000729400000000, 0.0002749300000000, -0.0000963100000000 ] - [ 0.0005748100000000, 0.0005430600000000, -0.0011630100000000 ] - [ -0.0002735000000000, -0.0003237700000000, -0.0008434100000000 ] - [ 0.0002454100000000, 0.0002721200000000, -0.0004353300000000 ] - [ 0.0000027000000000, 0.0000395300000000, -0.0004867900000000 ] - [ -0.0007047900000000, -0.0004137200000000, 0.0006338700000000 ] - [ 0.0011728900000000, -0.0028724800000000, 0.0023467100000000 ] - [ -0.0008513600000000, -0.0017680200000000, -0.0016445000000000 ] - [ -0.0000650100000000, -0.0002993000000000, -0.0001489900000000 ] - [ 0.0001946100000000, 0.0000250200000000, -0.0004222500000000 ] - [ 0.0016396700000000, -0.0043358800000000, -0.0102500800000000 ] - [ 0.0004386800000000, -0.0010857900000000, -0.0005077000000000 ] - [ 0.0004095400000000, 0.0002391200000000, 0.0004763900000000 ] - [ 0.0002917800000000, -0.0004364600000000, -0.0004291600000000 ] - [ -0.0002489200000000, 0.0000499900000000, -0.0003497400000000 ] - [ -0.0003874300000000, -0.0000723300000000, -0.0004063500000000 ] - [ 0.0010234600000000, 0.0010750700000000, 0.0015341400000000 ] - [ -0.0000764300000000, -0.0003493000000000, -0.0002157600000000 ] - [ -0.0007427100000000, 0.0007836300000000, 0.0012738000000000 ] - [ 0.0027676300000000, -0.0002287600000000, -0.0003555600000000 ] - [ -0.0000774600000000, 0.0003622300000000, -0.0004989100000000 ] - [ -0.0003301500000000, -0.0001886300000000, -0.0009362900000000 ] - [ 0.0005889100000000, -0.0001791700000000, -0.0006176400000000 ] - [ 0.0002212000000000, 0.0002654800000000, -0.0004431600000000 ] - [ 0.0003967700000000, 0.0002593700000000, 0.0004502300000000 ] - [ -0.0002266400000000, -0.0005595800000000, -0.0002291100000000 ] - [ 0.0000955900000000, 0.0001834200000000, 0.0001648300000000 ] - [ 0.0002641700000000, -0.0003977600000000, -0.0005332300000000 ] - [ 0.0000109600000000, -0.0005839800000000, -0.0000714800000000 ] - [ -0.0004820800000000, 0.0003020500000000, -0.0009904800000000 ] - [ -0.0006970200000000, -0.0016937400000000, 0.0002517400000000 ] - [ 0.0003059000000000, -0.0030840800000000, 0.0023121000000000 ] - [ -0.0000730200000000, -0.0002162000000000, -0.0004514700000000 ] - [ -0.0027984800000000, 0.0027964700000000, -0.0016564300000000 ] - [ -0.0001729800000000, 0.0004393600000000, -0.0006153000000000 ] - [ -0.0001807000000000, 0.0000814400000000, -0.0003111400000000 ] - [ -0.0040043900000000, -0.0013367800000000, -0.0080354300000000 ] - [ 0.0016133400000000, -0.0252426500000000, -0.0000609800000000 ] - [ -0.0009500500000000, -0.0004509700000000, -0.0022035400000000 ] - [ -0.0004549700000000, 0.0002501600000000, -0.0004559200000000 ] - [ 0.0002351300000000, 0.0007207100000000, -0.0003377000000000 ] - [ -0.0003252600000000, 0.0012412500000000, -0.0008229900000000 ] - [ -0.0008362400000000, 0.0004967500000000, 0.0043159900000000 ] - [ -0.0005676800000000, 0.0000110200000000, 0.0000042500000000 ] - [ 0.0004151200000000, -0.0002473400000000, -0.0002255700000000 ] - [ 0.0005017900000000, -0.0003320900000000, -0.0004023200000000 ]- atom: 50 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ -0.0023484900000000, -0.0032018000000000, -0.0022540000000000 ] - [ -0.0000133200000000, -0.0004751300000000, -0.0009984300000000 ] - [ 0.0005089300000000, -0.0012837600000000, -0.0010034600000000 ] - [ 0.0002980900000000, -0.0008530200000000, 0.0002233600000000 ] - [ -0.0086688500000000, -0.0009092500000000, 0.0054933100000000 ] - [ -0.0001408300000000, -0.0005586600000000, -0.0006583300000000 ] - [ -0.0002106200000000, -0.0005975000000000, -0.0008735900000000 ] - [ -0.0000049000000000, -0.0001336500000000, -0.0011928900000000 ] - [ 0.0005353700000000, 0.0001458000000000, 0.0007814400000000 ] - [ 0.0002067000000000, -0.0001570000000000, -0.0013967400000000 ] - [ -0.0000340900000000, -0.0003451800000000, 0.0033588500000000 ] - [ 0.0019332800000000, 0.0004553200000000, 0.0028214100000000 ] - [ -0.0001122300000000, 0.0002462600000000, -0.0011119300000000 ] - [ -0.0001132500000000, -0.0006168600000000, -0.0010369500000000 ] - [ 0.0008784800000000, -0.0000105500000000, -0.0003181000000000 ] - [ 0.0003347700000000, -0.0002568300000000, -0.0010487600000000 ] - [ 0.0000784800000000, -0.0005906400000000, 0.0033894200000000 ] - [ 0.0013596000000000, 0.0001605500000000, 0.0021133100000000 ] - [ 0.0000368400000000, 0.0003504300000000, -0.0009342500000000 ] - [ -0.0230391400000000, 0.0074899200000000, 0.0132380100000000 ] - [ 0.0072309900000000, -0.0005445200000000, -0.0042108000000000 ] - [ 0.0003149000000000, -0.0009959800000000, -0.0011877100000000 ] - [ -0.0027020100000000, 0.0013326300000000, -0.0025506300000000 ] - [ 0.0009134800000000, 0.0010730300000000, -0.0016076100000000 ] - [ -0.0010859600000000, 0.0026654800000000, 0.0028286600000000 ] - [ 0.0002521100000000, 0.0008223100000000, -0.0019088100000000 ] - [ 0.0001104600000000, 0.0002342200000000, -0.0010322800000000 ] - [ -0.0001712600000000, -0.0006064500000000, -0.0007514000000000 ] - [ 0.0008645800000000, 0.0002668600000000, -0.0017255600000000 ] - [ -0.0004051100000000, -0.0002141300000000, -0.0011434900000000 ] - [ -0.0010616100000000, 0.0005794500000000, -0.0018443900000000 ] - [ -0.0001459700000000, 0.0025022400000000, -0.0030899200000000 ] - [ -0.0002230900000000, -0.0005157700000000, -0.0018393000000000 ] - [ -0.0432474900000000, 0.0781528200000000, 0.0832015000000000 ] - [ 0.0021441500000000, -0.0002840800000000, 0.0078764600000000 ] - [ -0.0002730900000000, -0.0002273900000000, -0.0013261000000000 ] - [ -0.0005711400000000, 0.0011531400000000, -0.0032356400000000 ] - [ 0.0011789100000000, 0.0002787200000000, -0.0016398800000000 ] - [ -0.0009095800000000, 0.0004098400000000, -0.0003643600000000 ] - [ -0.0005722900000000, -0.0001744600000000, -0.0016403200000000 ] - [ 0.0018083400000000, -0.0100268700000000, 0.0000604000000000 ] - [ 0.0011897900000000, 0.0008335800000000, -0.0005226500000000 ] - [ 0.0032859700000000, -0.0009845800000000, -0.0016522000000000 ] - [ -0.0006846700000000, -0.0003792800000000, -0.0018139000000000 ] - [ -0.0018818500000000, 0.0035404500000000, 0.0042273000000000 ] - [ 0.0012451400000000, -0.0001389400000000, 0.0009355700000000 ] - [ -0.0015311100000000, 0.0021667400000000, 0.0012759400000000 ] - [ 0.0000706500000000, 0.0000595500000000, -0.0025864800000000 ] - [ 0.0001766100000000, 0.0001262400000000, -0.0015191500000000 ] - [ 0.0932354900000000, -0.1018467900000000, -0.1206984700000000 ] - [ 0.0006425400000000, 0.0000559000000000, 0.0018266700000000 ] - [ -0.0015194400000000, 0.0013174500000000, 0.0010609100000000 ] - [ -0.0000139700000000, -0.0001185600000000, 0.0006030400000000 ] - [ -0.0000351200000000, 0.0002361600000000, 0.0007754600000000 ] - [ 0.0011183700000000, -0.0008967400000000, -0.0026327700000000 ] - [ 0.0010945500000000, 0.0015892600000000, -0.0002115100000000 ] - [ 0.0001127700000000, -0.0001961600000000, 0.0000828000000000 ] - [ 0.0004559500000000, -0.0002522800000000, 0.0005397100000000 ] - [ -0.0002289700000000, 0.0002081800000000, 0.0007999600000000 ] - [ -0.0013034200000000, -0.0001861500000000, -0.0008942600000000 ] - [ -0.0005174900000000, -0.0004081700000000, -0.0005351900000000 ] - [ -0.0002841900000000, -0.0008588500000000, 0.0012503300000000 ] - [ -0.0001807900000000, 0.0022525900000000, -0.0017260600000000 ] - [ -0.0000430300000000, 0.0006135100000000, 0.0007669700000000 ] - [ -0.0006104400000000, 0.0002614600000000, 0.0006129500000000 ] - [ -0.0006239000000000, -0.0005455300000000, 0.0000572000000000 ] - [ -0.0000119700000000, 0.0000503600000000, 0.0018460600000000 ] - [ 0.0003986200000000, -0.0006787900000000, 0.0013648100000000 ] - [ -0.0000124200000000, -0.0022245700000000, -0.0044364700000000 ] - [ -0.0088811400000000, -0.0074337000000000, -0.0110017700000000 ] - [ -0.0036743200000000, 0.0003340000000000, -0.0020423300000000 ] - [ -0.0004605100000000, 0.0003410100000000, 0.0008413900000000 ] - [ -0.0187805000000000, 0.0145344800000000, 0.0116862800000000 ] - [ -0.0008216700000000, 0.0002007600000000, -0.0014308800000000 ] - [ -0.0002637800000000, 0.0001825000000000, 0.0006567300000000 ] - [ -0.0012588400000000, -0.0008276600000000, 0.0011756100000000 ] - [ 0.0002842800000000, 0.0003487300000000, -0.0002979400000000 ] - [ 0.0000113900000000, 0.0003644600000000, 0.0005487400000000 ] - [ 0.0000558200000000, -0.0007814700000000, 0.0012198000000000 ] - [ -0.0016020000000000, 0.0000162600000000, -0.0015479900000000 ] - [ 0.0015253400000000, -0.0003298000000000, -0.0021650400000000 ] - [ 0.0008158600000000, 0.0021305100000000, 0.0009682900000000 ] - [ -0.0001293400000000, -0.0001448700000000, 0.0009238700000000 ] - [ 0.0002435300000000, -0.0005349300000000, 0.0000102300000000 ] - [ -0.0009274300000000, 0.0127927000000000, 0.0164919600000000 ] - [ -0.0012023900000000, 0.0006328400000000, 0.0011571500000000 ] - [ 0.0015710300000000, -0.0010690800000000, 0.0002889400000000 ] - [ 0.0002707800000000, 0.0002093400000000, 0.0010721900000000 ] - [ -0.0001132100000000, 0.0006405100000000, 0.0009342200000000 ] - [ -0.0004291700000000, 0.0002608400000000, 0.0005830700000000 ] - [ 0.0001200100000000, -0.0004524100000000, -0.0016218700000000 ] - [ -0.0003266300000000, 0.0000905400000000, 0.0008631400000000 ] - [ -0.0043536100000000, -0.0028692400000000, 0.0028619900000000 ] - [ -0.0022357200000000, -0.0000038900000000, -0.0000673800000000 ] - [ -0.0004199200000000, 0.0002043200000000, 0.0011739100000000 ] - [ 0.0000383600000000, -0.0002013800000000, 0.0005243200000000 ] - [ 0.0000654600000000, -0.0002023300000000, 0.0016308600000000 ] - [ 0.0003142200000000, -0.0001906400000000, 0.0006416300000000 ] - [ 0.0006929600000000, 0.0002569400000000, 0.0019818600000000 ] - [ -0.0006159400000000, -0.0002461000000000, -0.0000237600000000 ] - [ 0.0004445300000000, 0.0001785800000000, 0.0014836300000000 ] - [ 0.0002270000000000, -0.0008073000000000, 0.0006329000000000 ] - [ 0.0001957700000000, 0.0003208600000000, 0.0013649400000000 ] - [ -0.0004002100000000, 0.0000367500000000, -0.0004071900000000 ] - [ -0.0008327200000000, 0.0005457500000000, -0.0012404700000000 ] - [ -0.0001421900000000, 0.0014208000000000, -0.0008801400000000 ] - [ -0.0000231600000000, -0.0002891100000000, 0.0007807800000000 ] - [ 0.0025828200000000, -0.0004836900000000, 0.0002673800000000 ] - [ 0.0002397300000000, 0.0001778500000000, 0.0001984100000000 ] - [ -0.0003230800000000, -0.0004270300000000, 0.0010564600000000 ] - [ 0.0061493500000000, 0.0068043600000000, 0.0073793800000000 ] - [ 0.0050778300000000, 0.0001835000000000, -0.0078902900000000 ] - [ 0.0009335400000000, -0.0008681900000000, 0.0017033400000000 ] - [ -0.0005039500000000, 0.0004530800000000, 0.0010675000000000 ] - [ -0.0006894600000000, 0.0001927400000000, -0.0000009400000000 ] - [ -0.0000641800000000, 0.0004368300000000, -0.0002277200000000 ] - [ -0.0003923400000000, -0.0036119400000000, 0.0033941300000000 ] - [ -0.0008336800000000, -0.0003228900000000, 0.0010950000000000 ] - [ -0.0002186200000000, -0.0003192900000000, 0.0008783200000000 ] - [ 0.0005823300000000, -0.0002105000000000, 0.0010502900000000 ]- atom: 50 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ 0.0022084200000000, 0.0027352400000000, 0.0022023800000000 ] - [ 0.0002316500000000, -0.0002364800000000, 0.0014870000000000 ] - [ 0.0000242400000000, 0.0003325900000000, 0.0004162700000000 ] - [ -0.0010258100000000, 0.0000141700000000, -0.0008215100000000 ] - [ 0.0086183600000000, 0.0015335400000000, -0.0049980700000000 ] - [ -0.0001496800000000, -0.0006328200000000, 0.0016632900000000 ] - [ -0.0003253400000000, -0.0003594700000000, 0.0014549500000000 ] - [ 0.0001591100000000, -0.0003658800000000, 0.0012751800000000 ] - [ -0.0007551300000000, 0.0014942800000000, -0.0006183900000000 ] - [ -0.0003496400000000, -0.0001436400000000, 0.0010838600000000 ] - [ -0.0002569400000000, 0.0015335100000000, -0.0023573400000000 ] - [ -0.0012091800000000, 0.0003926200000000, -0.0022374800000000 ] - [ -0.0001037800000000, 0.0004637000000000, 0.0006293100000000 ] - [ -0.0001086300000000, -0.0010253000000000, 0.0011987500000000 ] - [ -0.0006416100000000, -0.0006232700000000, -0.0003154600000000 ] - [ 0.0003913200000000, -0.0005875200000000, 0.0016444800000000 ] - [ 0.0000895700000000, 0.0010872600000000, -0.0033089100000000 ] - [ -0.0015884900000000, 0.0004740700000000, -0.0014843500000000 ] - [ -0.0001875300000000, 0.0001496900000000, 0.0008587300000000 ] - [ 0.0213843300000000, -0.0073817900000000, -0.0122854700000000 ] - [ -0.0069704600000000, -0.0006471300000000, 0.0032360600000000 ] - [ -0.0000933200000000, -0.0006419300000000, 0.0010307100000000 ] - [ 0.0024906400000000, -0.0020612900000000, 0.0020603400000000 ] - [ -0.0010596500000000, -0.0007771500000000, 0.0013044500000000 ] - [ 0.0005395500000000, -0.0017015900000000, -0.0022220100000000 ] - [ 0.0000381600000000, 0.0003685800000000, 0.0009067700000000 ] - [ 0.0000323300000000, 0.0000663700000000, 0.0013468000000000 ] - [ -0.0000670700000000, -0.0000251600000000, 0.0013854800000000 ] - [ -0.0003283100000000, 0.0006906100000000, 0.0011458100000000 ] - [ 0.0006411800000000, 0.0008449700000000, 0.0005141200000000 ] - [ 0.0003327100000000, 0.0002649900000000, 0.0012527600000000 ] - [ 0.0003620500000000, -0.0008618400000000, 0.0029195700000000 ] - [ 0.0010525000000000, -0.0002901000000000, 0.0024871800000000 ] - [ 0.0417303600000000, -0.0812426700000000, -0.0852410100000000 ] - [ -0.0023330200000000, 0.0005964900000000, -0.0069245800000000 ] - [ 0.0000859600000000, -0.0000875200000000, 0.0023284000000000 ] - [ -0.0010775800000000, 0.0007087300000000, 0.0016059400000000 ] - [ 0.0007537900000000, 0.0003695400000000, 0.0017991600000000 ] - [ 0.0000810900000000, 0.0004028300000000, -0.0002696900000000 ] - [ -0.0002528000000000, -0.0006337800000000, 0.0009978900000000 ] - [ -0.0001617000000000, 0.0081722600000000, 0.0015882300000000 ] - [ 0.0004556800000000, 0.0010287300000000, 0.0021579500000000 ] - [ -0.0049062000000000, -0.0008849100000000, 0.0000224300000000 ] - [ -0.0012489600000000, -0.0002688800000000, 0.0016618100000000 ] - [ 0.0038059700000000, -0.0042032700000000, -0.0041693600000000 ] - [ -0.0010533800000000, -0.0001676900000000, -0.0019552800000000 ] - [ 0.0023494800000000, -0.0013990200000000, -0.0006092700000000 ] - [ 0.0001152300000000, 0.0002557900000000, 0.0015912500000000 ] - [ -0.0007181800000000, -0.0005982200000000, 0.0015260000000000 ] - [ -0.0906780900000000, 0.1055903400000000, 0.1214252700000000 ] - [ 0.0000790400000000, 0.0001126100000000, -0.0007337600000000 ] - [ 0.0017097000000000, -0.0018170300000000, -0.0010468800000000 ] - [ -0.0007074800000000, -0.0000493800000000, -0.0016998800000000 ] - [ 0.0001977800000000, 0.0002268900000000, -0.0010342900000000 ] - [ -0.0006505200000000, 0.0007299800000000, 0.0024419200000000 ] - [ -0.0007183400000000, -0.0002743000000000, 0.0011308100000000 ] - [ -0.0001681400000000, -0.0003794500000000, -0.0003028400000000 ] - [ 0.0007439200000000, 0.0003552800000000, -0.0011309900000000 ] - [ 0.0004280900000000, 0.0002986100000000, -0.0007863300000000 ] - [ 0.0003041700000000, -0.0004480900000000, 0.0008766500000000 ] - [ 0.0012420100000000, 0.0002414000000000, 0.0016420800000000 ] - [ -0.0002255200000000, -0.0008815900000000, -0.0003343600000000 ] - [ -0.0005120400000000, -0.0021896500000000, 0.0013616200000000 ] - [ 0.0002384000000000, -0.0000842100000000, -0.0009004200000000 ] - [ 0.0001046900000000, 0.0002951400000000, -0.0007673200000000 ] - [ 0.0014272200000000, 0.0001824400000000, 0.0016817400000000 ] - [ 0.0001457400000000, 0.0004451900000000, -0.0015728900000000 ] - [ -0.0000251800000000, -0.0006290800000000, -0.0004458600000000 ] - [ -0.0004337100000000, 0.0025360100000000, 0.0034176000000000 ] - [ 0.0081916100000000, 0.0076053000000000, 0.0099188100000000 ] - [ 0.0046891400000000, 0.0002982000000000, 0.0020772100000000 ] - [ 0.0011501200000000, -0.0002841800000000, -0.0004866200000000 ] - [ 0.0197510100000000, -0.0143042800000000, -0.0116887900000000 ] - [ 0.0006921000000000, 0.0002932300000000, 0.0011552700000000 ] - [ -0.0001898700000000, 0.0004162300000000, -0.0005383200000000 ] - [ 0.0014260400000000, 0.0003673300000000, -0.0014385800000000 ] - [ -0.0004379000000000, 0.0000618600000000, -0.0006102300000000 ] - [ 0.0004416100000000, 0.0002338200000000, -0.0006693400000000 ] - [ 0.0000019900000000, 0.0002053500000000, -0.0010013900000000 ] - [ 0.0021281600000000, 0.0004487900000000, 0.0015514200000000 ] - [ -0.0020274700000000, -0.0002294400000000, 0.0020258100000000 ] - [ -0.0016222500000000, -0.0024874800000000, -0.0027043900000000 ] - [ -0.0000308600000000, -0.0003184300000000, -0.0006672400000000 ] - [ -0.0004006300000000, 0.0001241400000000, -0.0009166500000000 ] - [ 0.0004142600000000, -0.0109515000000000, -0.0153473600000000 ] - [ 0.0013410600000000, -0.0011339900000000, -0.0008886200000000 ] - [ -0.0011078700000000, 0.0004730400000000, -0.0004123100000000 ] - [ 0.0002669400000000, -0.0006858500000000, -0.0010800500000000 ] - [ -0.0004218700000000, -0.0001672600000000, -0.0009339300000000 ] - [ -0.0002661400000000, -0.0003153000000000, -0.0009383700000000 ] - [ -0.0000667700000000, 0.0010340700000000, 0.0018448500000000 ] - [ 0.0001289600000000, -0.0006198900000000, -0.0007326700000000 ] - [ 0.0041112600000000, 0.0023265600000000, -0.0028321800000000 ] - [ 0.0020695700000000, 0.0004376900000000, 0.0003405300000000 ] - [ 0.0002225400000000, 0.0003019400000000, -0.0011917700000000 ] - [ -0.0004867900000000, -0.0001826000000000, -0.0016000600000000 ] - [ 0.0006304600000000, 0.0001464200000000, -0.0012803500000000 ] - [ 0.0001632100000000, 0.0003515900000000, -0.0008385300000000 ] - [ 0.0001216700000000, 0.0001106700000000, -0.0002400900000000 ] - [ 0.0001591800000000, -0.0003547200000000, 0.0001410000000000 ] - [ 0.0000005900000000, 0.0002051000000000, -0.0004165700000000 ] - [ 0.0002827400000000, -0.0009318100000000, -0.0015538000000000 ] - [ -0.0000408500000000, -0.0007346200000000, -0.0004623300000000 ] - [ -0.0004123900000000, 0.0003305200000000, -0.0013364500000000 ] - [ 0.0003497600000000, -0.0003957000000000, 0.0014390300000000 ] - [ -0.0000518200000000, -0.0008958100000000, 0.0010294100000000 ] - [ -0.0001082600000000, -0.0002075700000000, -0.0010576200000000 ] - [ -0.0024690200000000, 0.0009188700000000, 0.0005907800000000 ] - [ -0.0002957400000000, 0.0003996800000000, -0.0004271400000000 ] - [ -0.0001526300000000, 0.0002695700000000, -0.0008663900000000 ] - [ -0.0057977800000000, -0.0073623700000000, -0.0064998800000000 ] - [ -0.0048867600000000, -0.0006802200000000, 0.0078290700000000 ] - [ -0.0013113200000000, -0.0004391100000000, -0.0026335000000000 ] - [ -0.0004948600000000, 0.0001769300000000, -0.0010949500000000 ] - [ 0.0011904900000000, 0.0015414200000000, -0.0009161000000000 ] - [ -0.0003158700000000, 0.0008781600000000, -0.0007051700000000 ] - [ -0.0008110400000000, 0.0037699300000000, -0.0028594200000000 ] - [ -0.0003676700000000, 0.0002203300000000, -0.0005072600000000 ] - [ 0.0007300300000000, -0.0002377800000000, -0.0007275200000000 ] - [ 0.0004168700000000, -0.0004201800000000, -0.0010283000000000 ]- atom: 51 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ -0.0000812600000000, -0.0001851200000000, -0.0006476700000000 ] - [ 0.0042287600000000, 0.0012698500000000, 0.0017443900000000 ] - [ 0.0001775600000000, -0.0003517200000000, -0.0007299200000000 ] - [ -0.0002834800000000, -0.0003988300000000, -0.0007565100000000 ] - [ 0.0000470500000000, 0.0004267700000000, -0.0000927800000000 ] - [ -0.0079186500000000, -0.0006937200000000, -0.0033026700000000 ] - [ -0.0017951600000000, -0.0001375700000000, 0.0006813100000000 ] - [ 0.0038214400000000, -0.0019905900000000, 0.0012263100000000 ] - [ -0.0008601700000000, 0.0009421200000000, -0.0012309000000000 ] - [ 0.0025197400000000, -0.0042308200000000, 0.0032275500000000 ] - [ -0.0000675200000000, 0.0006058900000000, -0.0001063500000000 ] - [ 0.0001684800000000, 0.0003727700000000, -0.0002468200000000 ] - [ -0.0039110300000000, 0.0028093400000000, -0.0016141700000000 ] - [ -0.0004178400000000, -0.0007791400000000, -0.0009911800000000 ] - [ 0.0002138300000000, -0.0003894900000000, -0.0007234400000000 ] - [ -0.0003920000000000, 0.0015231900000000, -0.0005792100000000 ] - [ 0.0000934200000000, 0.0001859700000000, -0.0003280000000000 ] - [ -0.0003732700000000, 0.0003592300000000, -0.0001518800000000 ] - [ -0.0035634500000000, -0.0020808400000000, -0.0013800600000000 ] - [ 0.0003348700000000, -0.0002837300000000, -0.0002594200000000 ] - [ 0.0001322700000000, -0.0005791800000000, -0.0009350300000000 ] - [ 0.0001948300000000, -0.0006881000000000, -0.0003037100000000 ] - [ -0.0001296000000000, -0.0004167200000000, -0.0008526300000000 ] - [ -0.0001691500000000, 0.0000294900000000, -0.0006242700000000 ] - [ -0.0000721600000000, 0.0005834800000000, -0.0001713600000000 ] - [ 0.0012461200000000, 0.0010247900000000, 0.0001846600000000 ] - [ -0.0014331400000000, -0.0002888300000000, 0.0007341000000000 ] - [ -0.0013238900000000, -0.0014890200000000, -0.0020738000000000 ] - [ 0.0046921400000000, 0.0029129900000000, 0.0020094500000000 ] - [ -0.0008093600000000, -0.0013150900000000, 0.0012026400000000 ] - [ -0.0030967200000000, 0.0051103200000000, 0.0054589800000000 ] - [ 0.0002486600000000, 0.0009684500000000, 0.0007901100000000 ] - [ 0.0007386300000000, -0.0006170700000000, -0.0006513800000000 ] - [ -0.0009225000000000, 0.0003605800000000, -0.0007837100000000 ] - [ -0.0000457200000000, 0.0001933100000000, -0.0003530300000000 ] - [ -0.0016634300000000, 0.0002614200000000, 0.0013669800000000 ] - [ -0.0014370600000000, 0.0010308900000000, -0.0016575100000000 ] - [ -0.0176419200000000, 0.0002799300000000, 0.0080931100000000 ] - [ -0.0020710600000000, 0.0000489000000000, -0.0005633600000000 ] - [ 0.0006934900000000, -0.0002355600000000, -0.0011708400000000 ] - [ 0.0075993100000000, -0.0005841100000000, 0.0025729500000000 ] - [ 0.0005101500000000, 0.0011696200000000, 0.0010753300000000 ] - [ -0.0003825000000000, -0.0004357700000000, -0.0022016600000000 ] - [ 0.0003267200000000, 0.0000553400000000, 0.0026217800000000 ] - [ 0.0010609900000000, -0.0003131000000000, -0.0006554500000000 ] - [ -0.0000089800000000, -0.0001166700000000, -0.0012028200000000 ] - [ -0.0003893000000000, 0.0003732300000000, -0.0001075800000000 ] - [ 0.0943557800000000, -0.0121907600000000, 0.1024940900000000 ] - [ -0.0002934500000000, -0.0004186700000000, 0.0004583000000000 ] - [ 0.0005497600000000, 0.0000601300000000, -0.0000010700000000 ] - [ -0.1389530600000000, 0.0207604400000000, -0.1321841700000000 ] - [ -0.0033266300000000, 0.0000082600000000, 0.0086869900000000 ] - [ 0.0003525900000000, -0.0001963600000000, -0.0009203800000000 ] - [ -0.0015517600000000, -0.0001708800000000, -0.0007106000000000 ] - [ 0.0001710100000000, 0.0000563200000000, 0.0002982700000000 ] - [ 0.0007429500000000, 0.0006913800000000, 0.0004722400000000 ] - [ -0.0002925200000000, -0.0002138800000000, 0.0002570300000000 ] - [ 0.0007642300000000, -0.0004531700000000, -0.0011998000000000 ] - [ 0.0005176000000000, 0.0002375700000000, 0.0003010800000000 ] - [ -0.0004828400000000, -0.0003625300000000, 0.0003750200000000 ] - [ 0.0005243400000000, -0.0000614800000000, 0.0009939800000000 ] - [ 0.0000258400000000, -0.0009385700000000, 0.0003137700000000 ] - [ -0.0016380700000000, -0.0001963600000000, -0.0000912600000000 ] - [ 0.0000683400000000, 0.0003972800000000, -0.0010498200000000 ] - [ 0.0068471200000000, 0.0006087600000000, -0.0028367600000000 ] - [ 0.0006777300000000, -0.0003062500000000, 0.0015035000000000 ] - [ -0.0024878400000000, -0.0017943400000000, -0.0022178300000000 ] - [ -0.0008291100000000, -0.0007185600000000, 0.0002062800000000 ] - [ -0.0001041500000000, 0.0002081400000000, -0.0001164700000000 ] - [ -0.0002718200000000, 0.0001090100000000, -0.0000609500000000 ] - [ 0.0004822600000000, 0.0002423100000000, 0.0004348500000000 ] - [ -0.0004647800000000, 0.0004420800000000, 0.0007275300000000 ] - [ 0.0001286000000000, 0.0002719300000000, 0.0003453300000000 ] - [ -0.0000897200000000, 0.0001497300000000, 0.0004389500000000 ] - [ -0.0007390000000000, 0.0000057800000000, 0.0009524000000000 ] - [ 0.0000626300000000, -0.0002273800000000, 0.0001780600000000 ] - [ 0.0014329400000000, 0.0005711400000000, 0.0001005600000000 ] - [ -0.0003548400000000, 0.0004448700000000, 0.0003909300000000 ] - [ -0.0005650300000000, -0.0010743200000000, 0.0012156500000000 ] - [ 0.0003607900000000, 0.0000941000000000, 0.0003738700000000 ] - [ -0.0004409600000000, -0.0002599200000000, 0.0002634600000000 ] - [ 0.0006876000000000, -0.0001211100000000, -0.0064621300000000 ] - [ 0.0015654600000000, 0.0004199600000000, 0.0013157700000000 ] - [ -0.0002972700000000, -0.0002806600000000, -0.0001780200000000 ] - [ -0.0012548700000000, 0.0011608300000000, 0.0002563200000000 ] - [ 0.0001104400000000, -0.0002840100000000, 0.0004064400000000 ] - [ 0.0005426200000000, -0.0002035900000000, -0.0002349700000000 ] - [ -0.0023794000000000, 0.0040704600000000, 0.0078301300000000 ] - [ 0.0009518900000000, 0.0001039000000000, -0.0007990100000000 ] - [ 0.0002313600000000, 0.0000615200000000, -0.0007238500000000 ] - [ 0.0001999900000000, 0.0003777700000000, 0.0003567800000000 ] - [ 0.0155216600000000, 0.0068938900000000, 0.0001412400000000 ] - [ -0.0008380700000000, -0.0003668500000000, 0.0004008600000000 ] - [ -0.0000988000000000, 0.0004202600000000, 0.0007661900000000 ] - [ 0.0003153200000000, 0.0001905100000000, 0.0000729300000000 ] - [ 0.0058159200000000, 0.0002962000000000, -0.0132120700000000 ] - [ 0.0004912800000000, -0.0001909400000000, 0.0005801000000000 ] - [ 0.0020112700000000, -0.0007724700000000, -0.0008625500000000 ] - [ 0.0007249300000000, 0.0002857500000000, 0.0013579700000000 ] - [ 0.0004370300000000, -0.0001862100000000, 0.0003636000000000 ] - [ 0.0002937600000000, -0.0003332600000000, -0.0011182600000000 ] - [ 0.0004179900000000, -0.0009189500000000, 0.0000606400000000 ] - [ -0.0006201700000000, 0.0006680600000000, 0.0013929200000000 ] - [ -0.0004477700000000, 0.0001692700000000, -0.0007435900000000 ] - [ -0.0001994000000000, 0.0001700200000000, 0.0003810800000000 ] - [ -0.0001434100000000, 0.0001125600000000, 0.0004186200000000 ] - [ 0.0012945600000000, -0.0014595000000000, 0.0014469700000000 ] - [ 0.0002944000000000, 0.0001311600000000, 0.0006398500000000 ] - [ 0.0016643500000000, 0.0000754500000000, -0.0002685200000000 ] - [ -0.0047316200000000, -0.0053454100000000, 0.0050887900000000 ] - [ 0.0003510100000000, -0.0001921500000000, 0.0010150100000000 ] - [ 0.0000474400000000, -0.0004355500000000, 0.0002676600000000 ] - [ -0.0000011800000000, -0.0006540200000000, 0.0002876600000000 ] - [ 0.0241376500000000, -0.0047527600000000, 0.0131061500000000 ] - [ -0.0001600100000000, 0.0001887500000000, 0.0003390900000000 ] - [ 0.0004351200000000, 0.0005668700000000, -0.0002034600000000 ] - [ -0.0006533500000000, 0.0001929600000000, 0.0006564000000000 ] - [ 0.0200395000000000, -0.0089539800000000, 0.0013234400000000 ] - [ -0.0009057200000000, -0.0005524900000000, -0.0005313500000000 ] - [ 0.0011814500000000, -0.0006251700000000, -0.0008684100000000 ]- atom: 51 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ -0.0000606500000000, -0.0003113700000000, 0.0005790200000000 ] - [ -0.0040230400000000, -0.0019918900000000, -0.0012519500000000 ] - [ 0.0003502000000000, -0.0006106600000000, 0.0001349500000000 ] - [ -0.0004413500000000, -0.0004502800000000, 0.0001606300000000 ] - [ 0.0001779800000000, 0.0002903700000000, 0.0005981500000000 ] - [ 0.0075872800000000, -0.0004929800000000, 0.0042459900000000 ] - [ 0.0012614700000000, -0.0008223200000000, -0.0000958900000000 ] - [ -0.0036856000000000, 0.0015012800000000, -0.0011419300000000 ] - [ 0.0006403600000000, 0.0006976100000000, 0.0013894200000000 ] - [ -0.0025997400000000, 0.0039231700000000, -0.0036105700000000 ] - [ -0.0002271300000000, 0.0005802000000000, 0.0011074200000000 ] - [ 0.0005558700000000, 0.0004759000000000, 0.0008402300000000 ] - [ 0.0037056600000000, -0.0021044700000000, 0.0011345200000000 ] - [ 0.0002046100000000, -0.0008645000000000, 0.0011491400000000 ] - [ 0.0000237700000000, -0.0002367400000000, 0.0000913300000000 ] - [ 0.0011296200000000, -0.0023785000000000, 0.0011808000000000 ] - [ 0.0000488200000000, 0.0003082800000000, 0.0003956600000000 ] - [ 0.0001330300000000, 0.0002688300000000, 0.0007847700000000 ] - [ 0.0034213800000000, 0.0025907500000000, 0.0013107700000000 ] - [ -0.0001956700000000, -0.0000265200000000, 0.0005718700000000 ] - [ 0.0001618500000000, -0.0006072800000000, -0.0000666800000000 ] - [ 0.0000189600000000, -0.0009526500000000, 0.0001412400000000 ] - [ -0.0000944600000000, -0.0002992700000000, 0.0003471300000000 ] - [ 0.0000297100000000, 0.0002814000000000, 0.0003084100000000 ] - [ -0.0004548700000000, 0.0003779400000000, 0.0007619700000000 ] - [ -0.0009537300000000, 0.0001617300000000, -0.0011672600000000 ] - [ 0.0015760800000000, 0.0005968800000000, -0.0004170000000000 ] - [ 0.0010934600000000, 0.0008628400000000, 0.0027136300000000 ] - [ -0.0041354200000000, -0.0020128000000000, -0.0026931600000000 ] - [ 0.0010702500000000, 0.0019310000000000, -0.0018259300000000 ] - [ 0.0023929900000000, -0.0042235900000000, -0.0060018600000000 ] - [ -0.0000314000000000, 0.0006784100000000, -0.0009742100000000 ] - [ 0.0000836700000000, -0.0001843300000000, 0.0013003500000000 ] - [ -0.0009975100000000, 0.0002926500000000, 0.0006425100000000 ] - [ -0.0001420500000000, 0.0001178400000000, 0.0013474000000000 ] - [ 0.0014933000000000, -0.0005704000000000, -0.0003792600000000 ] - [ -0.0002013800000000, 0.0008360100000000, 0.0000152800000000 ] - [ 0.0196760300000000, 0.0003712500000000, -0.0079975000000000 ] - [ 0.0012464300000000, 0.0007488800000000, -0.0000694000000000 ] - [ -0.0015179100000000, -0.0005651600000000, 0.0005276400000000 ] - [ -0.0059494500000000, -0.0012784900000000, -0.0009606400000000 ] - [ 0.0011305700000000, 0.0006946400000000, 0.0005589400000000 ] - [ -0.0012660300000000, -0.0014314700000000, 0.0005595900000000 ] - [ -0.0022687600000000, -0.0007079600000000, -0.0027671000000000 ] - [ 0.0008602000000000, -0.0003407900000000, 0.0007941200000000 ] - [ 0.0001950700000000, -0.0001957300000000, 0.0002057000000000 ] - [ 0.0012244000000000, 0.0004273600000000, 0.0007535400000000 ] - [ -0.0926569300000000, 0.0119382300000000, -0.0993121100000000 ] - [ -0.0002417400000000, -0.0000931200000000, -0.0004461900000000 ] - [ 0.0006476100000000, -0.0001471100000000, -0.0005846100000000 ] - [ 0.1380329300000000, -0.0199309400000000, 0.1289124700000000 ] - [ 0.0035760100000000, -0.0005216700000000, -0.0086856600000000 ] - [ -0.0010899200000000, 0.0000334000000000, -0.0001953700000000 ] - [ 0.0016683200000000, 0.0005951600000000, 0.0004791200000000 ] - [ 0.0002938600000000, -0.0001828900000000, -0.0004813300000000 ] - [ -0.0003784900000000, 0.0006098100000000, 0.0004250300000000 ] - [ 0.0002327900000000, -0.0003584900000000, -0.0004743500000000 ] - [ 0.0004386700000000, 0.0005469900000000, 0.0006114300000000 ] - [ -0.0003125300000000, 0.0002701700000000, -0.0002776900000000 ] - [ -0.0005441900000000, -0.0002534800000000, -0.0003820000000000 ] - [ 0.0002113500000000, -0.0001009400000000, 0.0001253800000000 ] - [ -0.0005395100000000, -0.0008128100000000, 0.0006063600000000 ] - [ 0.0009550600000000, 0.0002722800000000, -0.0002894700000000 ] - [ 0.0001332200000000, 0.0001360100000000, 0.0009155500000000 ] - [ -0.0072957700000000, -0.0000649100000000, 0.0026971300000000 ] - [ 0.0001306100000000, -0.0000642500000000, 0.0002348300000000 ] - [ 0.0025564800000000, 0.0023073700000000, 0.0024970100000000 ] - [ 0.0011996400000000, -0.0005838500000000, 0.0006988500000000 ] - [ -0.0003291900000000, 0.0001763400000000, -0.0009188900000000 ] - [ -0.0004574400000000, 0.0000543500000000, -0.0010473500000000 ] - [ 0.0005401800000000, 0.0003748900000000, -0.0004248200000000 ] - [ 0.0011596900000000, -0.0003786600000000, -0.0003566500000000 ] - [ 0.0003176900000000, 0.0002693100000000, -0.0002005700000000 ] - [ -0.0000375000000000, 0.0003404800000000, -0.0007158200000000 ] - [ 0.0002288700000000, 0.0005801400000000, -0.0008245900000000 ] - [ 0.0000966000000000, -0.0002372200000000, -0.0004203000000000 ] - [ -0.0015981100000000, -0.0001523800000000, -0.0010099800000000 ] - [ 0.0008677400000000, 0.0001400400000000, -0.0005219600000000 ] - [ 0.0006277000000000, 0.0005033000000000, -0.0010016200000000 ] - [ 0.0001748600000000, 0.0004158900000000, -0.0003859300000000 ] - [ -0.0000041800000000, -0.0002809300000000, -0.0004066200000000 ] - [ -0.0014948600000000, -0.0002468200000000, 0.0046756900000000 ] - [ -0.0017299100000000, -0.0008782700000000, -0.0010614600000000 ] - [ 0.0001400400000000, -0.0001326900000000, -0.0007265700000000 ] - [ 0.0007446100000000, 0.0005758400000000, 0.0006634300000000 ] - [ 0.0000186700000000, -0.0002059000000000, -0.0001288900000000 ] - [ -0.0000455200000000, -0.0003814100000000, 0.0001111600000000 ] - [ 0.0028627900000000, -0.0045467900000000, -0.0077825500000000 ] - [ -0.0014954200000000, 0.0004116400000000, 0.0008085800000000 ] - [ -0.0009175100000000, -0.0001297800000000, 0.0003514600000000 ] - [ -0.0001440700000000, 0.0002043200000000, -0.0001313500000000 ] - [ -0.0159178800000000, -0.0076006400000000, -0.0000537800000000 ] - [ 0.0006386200000000, -0.0001402100000000, -0.0004193500000000 ] - [ -0.0000581900000000, 0.0000424200000000, -0.0005239900000000 ] - [ -0.0005185600000000, 0.0003163200000000, -0.0000943900000000 ] - [ -0.0062615900000000, -0.0006887000000000, 0.0123535900000000 ] - [ 0.0001928400000000, 0.0001203000000000, -0.0002018700000000 ] - [ -0.0015491300000000, 0.0008871500000000, 0.0006774800000000 ] - [ 0.0000847100000000, 0.0000845000000000, 0.0003866700000000 ] - [ -0.0009436900000000, -0.0003985400000000, -0.0002373900000000 ] - [ 0.0001434800000000, 0.0007193900000000, 0.0021600900000000 ] - [ 0.0000952000000000, -0.0008344200000000, -0.0009775700000000 ] - [ 0.0007816200000000, -0.0010841200000000, -0.0004903600000000 ] - [ -0.0003580500000000, 0.0002011000000000, -0.0009923400000000 ] - [ -0.0002674200000000, -0.0000378400000000, -0.0001961100000000 ] - [ -0.0000534400000000, 0.0004259500000000, -0.0002842400000000 ] - [ -0.0014288600000000, 0.0009588000000000, -0.0017102800000000 ] - [ -0.0001366000000000, 0.0002856100000000, 0.0002630000000000 ] - [ -0.0017281600000000, 0.0005016100000000, 0.0000392100000000 ] - [ 0.0042029700000000, 0.0051849200000000, -0.0048726000000000 ] - [ 0.0000838600000000, -0.0001916200000000, 0.0000252400000000 ] - [ 0.0001480600000000, -0.0001050200000000, -0.0003996100000000 ] - [ -0.0003644900000000, -0.0006466100000000, -0.0011879000000000 ] - [ -0.0245444900000000, 0.0052631900000000, -0.0128126200000000 ] - [ 0.0006805800000000, 0.0015663800000000, -0.0012603300000000 ] - [ -0.0008124800000000, 0.0007341500000000, -0.0007128600000000 ] - [ -0.0005460600000000, -0.0001044700000000, -0.0000684800000000 ] - [ -0.0215610400000000, 0.0090955800000000, -0.0008050200000000 ] - [ 0.0013696600000000, 0.0000073300000000, 0.0006732100000000 ] - [ -0.0001615700000000, 0.0000118200000000, 0.0008719900000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000705100000000, -0.0003348600000000, 0.0000340000000000 ] - [ 0.0023427000000000, -0.0001563200000000, -0.0013810500000000 ] - [ 0.0002521400000000, -0.0005043500000000, -0.0002572800000000 ] - [ -0.0003426000000000, -0.0004235500000000, -0.0002529800000000 ] - [ 0.0001748400000000, 0.0003421900000000, 0.0002849500000000 ] - [ 0.0004852600000000, -0.0003705500000000, 0.0009323200000000 ] - [ -0.0000779100000000, -0.0007113300000000, 0.0004076800000000 ] - [ -0.0029772600000000, 0.0000767400000000, 0.0019239800000000 ] - [ -0.0001126100000000, 0.0010149100000000, 0.0003058500000000 ] - [ -0.0031589800000000, 0.0216165800000000, -0.0114500600000000 ] - [ -0.0001526300000000, 0.0006161700000000, 0.0005638700000000 ] - [ 0.0003517800000000, 0.0004043000000000, 0.0004102800000000 ] - [ 0.0013649700000000, -0.0012911000000000, 0.0006047200000000 ] - [ -0.0001588100000000, -0.0003341700000000, 0.0003797400000000 ] - [ 0.0001068900000000, -0.0002769200000000, -0.0002197600000000 ] - [ 0.0030646100000000, -0.0036958800000000, 0.0020017300000000 ] - [ 0.0000984200000000, 0.0002903800000000, 0.0001189300000000 ] - [ -0.0001412600000000, 0.0002700200000000, 0.0002939600000000 ] - [ -0.0010394900000000, -0.0014840600000000, -0.0009563800000000 ] - [ -0.0000160200000000, -0.0002726900000000, 0.0001630900000000 ] - [ 0.0001402400000000, -0.0006038400000000, -0.0004314100000000 ] - [ 0.0000477300000000, -0.0009021600000000, -0.0000564400000000 ] - [ -0.0000943600000000, -0.0003260600000000, -0.0001445500000000 ] - [ -0.0000717000000000, 0.0001948500000000, -0.0000898300000000 ] - [ -0.0002878900000000, 0.0005036700000000, 0.0004644000000000 ] - [ -0.0004224700000000, -0.0051688400000000, -0.0010818200000000 ] - [ 0.0001306300000000, -0.0000380500000000, 0.0000553100000000 ] - [ -0.0021746600000000, -0.0015120200000000, -0.0022793000000000 ] - [ 0.0039654000000000, 0.0189353600000000, 0.0071563200000000 ] - [ -0.0023877400000000, 0.0008115400000000, 0.0004639400000000 ] - [ 0.0022861700000000, 0.0019571000000000, -0.0007829700000000 ] - [ -0.0003601800000000, -0.0030890900000000, -0.0011668700000000 ] - [ 0.0001238100000000, -0.0028148300000000, 0.0008230000000000 ] - [ -0.0009696400000000, 0.0002898500000000, 0.0000409300000000 ] - [ -0.0000772100000000, 0.0001484700000000, 0.0006310900000000 ] - [ 0.0004954200000000, -0.0017828000000000, 0.0001450900000000 ] - [ -0.0008214400000000, 0.0007918600000000, -0.0007567500000000 ] - [ 0.0017408600000000, 0.0118563300000000, -0.0009645500000000 ] - [ -0.0004991800000000, 0.0016546000000000, -0.0005348400000000 ] - [ 0.0000977800000000, 0.0000181100000000, -0.0003130700000000 ] - [ 0.0007468200000000, 0.0001274200000000, 0.0013274900000000 ] - [ 0.0007536700000000, 0.0012020400000000, 0.0009554300000000 ] - [ -0.0004497800000000, -0.0024966000000000, -0.0009182200000000 ] - [ -0.0002382500000000, -0.0020891900000000, -0.0007626800000000 ] - [ 0.0009575900000000, -0.0003112800000000, 0.0001494500000000 ] - [ 0.0000981500000000, -0.0001503100000000, -0.0004006800000000 ] - [ 0.0002319700000000, 0.0002552900000000, 0.0002965000000000 ] - [ -0.0148511000000000, 0.0389355700000000, -0.0239917900000000 ] - [ -0.0002740600000000, -0.0002147200000000, -0.0000682800000000 ] - [ 0.0005979500000000, -0.0000392600000000, -0.0003301900000000 ] - [ 0.0214565200000000, -0.0922254400000000, 0.0320795200000000 ] - [ 0.0004320100000000, -0.0045464200000000, -0.0001284600000000 ] - [ -0.0004737000000000, 0.0003037700000000, -0.0004949300000000 ] - [ 0.0059881800000000, 0.0119991000000000, -0.0046691100000000 ] - [ 0.0002497900000000, -0.0000855700000000, -0.0001561400000000 ] - [ 0.0002071500000000, 0.0004566900000000, 0.0003799600000000 ] - [ -0.0000941300000000, -0.0003345600000000, -0.0001171800000000 ] - [ 0.0003677800000000, 0.0002736100000000, -0.0000440600000000 ] - [ 0.0001387100000000, 0.0001858300000000, -0.0000291000000000 ] - [ -0.0004996900000000, -0.0003112900000000, -0.0000673200000000 ] - [ 0.0003408300000000, -0.0000911800000000, 0.0004877600000000 ] - [ -0.0002108700000000, -0.0009639900000000, 0.0005552500000000 ] - [ -0.0004371200000000, -0.0002252800000000, -0.0001665000000000 ] - [ 0.0002048800000000, 0.0009043100000000, 0.0001277400000000 ] - [ -0.0010042000000000, -0.0015459100000000, 0.0004150200000000 ] - [ 0.0003757700000000, 0.0000747400000000, 0.0009585200000000 ] - [ -0.0080521500000000, 0.0126657700000000, 0.0060513800000000 ] - [ 0.0000495500000000, -0.0013696400000000, 0.0003150200000000 ] - [ -0.0002404200000000, 0.0001876800000000, -0.0005772500000000 ] - [ -0.0003891800000000, 0.0000815100000000, -0.0006531200000000 ] - [ 0.0005020800000000, 0.0003233700000000, -0.0000367500000000 ] - [ 0.0000386400000000, 0.0002411000000000, 0.0002500300000000 ] - [ 0.0002587500000000, 0.0002849000000000, 0.0000341600000000 ] - [ -0.0000487600000000, 0.0002029900000000, -0.0002222600000000 ] - [ -0.0002937400000000, -0.0002485300000000, 0.0006314100000000 ] - [ 0.0000991400000000, -0.0002514600000000, -0.0001905600000000 ] - [ -0.0005128400000000, -0.0003293500000000, -0.0009812600000000 ] - [ 0.0005568300000000, 0.0007883500000000, -0.0002941900000000 ] - [ 0.0008133900000000, 0.0017499700000000, -0.0021151300000000 ] - [ 0.0002715900000000, 0.0002638800000000, -0.0000602600000000 ] - [ -0.0002302400000000, -0.0002870500000000, -0.0001132700000000 ] - [ -0.0000095700000000, -0.0018672500000000, -0.0014099900000000 ] - [ 0.0008155100000000, -0.0006361100000000, 0.0000836400000000 ] - [ -0.0001515300000000, -0.0004003700000000, -0.0005173000000000 ] - [ -0.0000893700000000, 0.0000097600000000, 0.0009023000000000 ] - [ 0.0000756700000000, -0.0002211900000000, 0.0000910900000000 ] - [ 0.0007306400000000, 0.0004634700000000, -0.0003708200000000 ] - [ 0.0062402300000000, -0.0012353100000000, 0.0134195300000000 ] - [ -0.0001371600000000, 0.0009110900000000, 0.0006807100000000 ] - [ -0.0004080200000000, -0.0002199000000000, -0.0003229400000000 ] - [ 0.0001092200000000, 0.0002528800000000, -0.0000025300000000 ] - [ 0.0116770400000000, 0.0001190700000000, -0.0006850700000000 ] - [ -0.0004700400000000, 0.0002736600000000, -0.0003536600000000 ] - [ -0.0000734100000000, 0.0002131200000000, 0.0000634800000000 ] - [ -0.0000964800000000, 0.0003537600000000, -0.0000444300000000 ] - [ 0.0002976500000000, -0.0041974200000000, -0.0008152700000000 ] - [ 0.0003337900000000, 0.0000431300000000, 0.0001298100000000 ] - [ -0.0000445400000000, 0.0006114600000000, -0.0004334100000000 ] - [ 0.0004193600000000, 0.0005573200000000, 0.0009164400000000 ] - [ -0.0002882200000000, -0.0005196600000000, 0.0001759600000000 ] - [ 0.0001303400000000, 0.0015717600000000, 0.0007304500000000 ] - [ 0.0002418000000000, -0.0008070900000000, -0.0005437000000000 ] - [ -0.0004301400000000, 0.0015526300000000, 0.0016182700000000 ] - [ -0.0004092300000000, 0.0001416900000000, -0.0009268500000000 ] - [ -0.0002395000000000, 0.0000480200000000, 0.0000389900000000 ] - [ -0.0000861500000000, 0.0002855700000000, 0.0000373700000000 ] - [ -0.0013387300000000, -0.0004942700000000, -0.0004459700000000 ] - [ 0.0001709800000000, 0.0004056700000000, 0.0003765400000000 ] - [ 0.0002029800000000, -0.0003257600000000, 0.0005147200000000 ] - [ -0.0068104600000000, 0.0044353100000000, -0.0149603000000000 ] - [ 0.0001991600000000, -0.0001964900000000, 0.0004549800000000 ] - [ 0.0001017100000000, -0.0002439700000000, -0.0001228400000000 ] - [ -0.0002403200000000, -0.0002168700000000, -0.0007259600000000 ] - [ -0.0025128700000000, -0.0050798200000000, -0.0011806200000000 ] - [ 0.0004380200000000, 0.0012898000000000, -0.0006371900000000 ] - [ -0.0000804900000000, 0.0009100200000000, -0.0003990800000000 ] - [ -0.0005932100000000, 0.0000231800000000, 0.0002578200000000 ] - [ -0.0158726700000000, 0.0004842400000000, 0.0009472200000000 ] - [ -0.0000812000000000, 0.0014442300000000, 0.0005288600000000 ] - [ -0.0000133800000000, 0.0011702300000000, 0.0004185200000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000740600000000, -0.0001630100000000, -0.0000962100000000 ] - [ -0.0021301100000000, -0.0005454600000000, 0.0018662100000000 ] - [ 0.0002779400000000, -0.0004540500000000, -0.0003249900000000 ] - [ -0.0003833700000000, -0.0004194600000000, -0.0003377500000000 ] - [ 0.0000500400000000, 0.0003706600000000, 0.0002203200000000 ] - [ -0.0007549500000000, -0.0008213500000000, 0.0000850200000000 ] - [ -0.0004530900000000, -0.0002499500000000, 0.0001684700000000 ] - [ 0.0031377800000000, -0.0005843600000000, -0.0018464100000000 ] - [ -0.0001083600000000, 0.0006204000000000, -0.0001476600000000 ] - [ 0.0025702600000000, -0.0210004300000000, 0.0101374100000000 ] - [ -0.0001375700000000, 0.0005736400000000, 0.0004411900000000 ] - [ 0.0003724000000000, 0.0004382800000000, 0.0001853700000000 ] - [ -0.0015872400000000, 0.0020047500000000, -0.0010936000000000 ] - [ -0.0000635600000000, -0.0013086300000000, -0.0002155900000000 ] - [ 0.0001324800000000, -0.0003543100000000, -0.0004102300000000 ] - [ -0.0023443600000000, 0.0028483500000000, -0.0014105200000000 ] - [ 0.0000464900000000, 0.0002091500000000, -0.0000501800000000 ] - [ -0.0000989200000000, 0.0003623700000000, 0.0003399600000000 ] - [ 0.0008848500000000, 0.0019840700000000, 0.0008735700000000 ] - [ 0.0001570200000000, -0.0000290000000000, 0.0001479000000000 ] - [ 0.0001498100000000, -0.0005860800000000, -0.0005683500000000 ] - [ 0.0001737900000000, -0.0007359200000000, -0.0001006500000000 ] - [ -0.0001304200000000, -0.0003871100000000, -0.0003544200000000 ] - [ -0.0000680200000000, 0.0001088800000000, -0.0002141300000000 ] - [ -0.0002407700000000, 0.0004547200000000, 0.0001241600000000 ] - [ 0.0007112900000000, 0.0063555900000000, 0.0000610600000000 ] - [ 0.0000174700000000, 0.0003461000000000, 0.0002538800000000 ] - [ 0.0019431200000000, 0.0008863800000000, 0.0029283500000000 ] - [ -0.0038412900000000, -0.0188269600000000, -0.0085261600000000 ] - [ 0.0026088800000000, -0.0001707300000000, -0.0010935000000000 ] - [ -0.0030278300000000, -0.0011368200000000, 0.0001706200000000 ] - [ 0.0005878400000000, 0.0047265800000000, 0.0010301200000000 ] - [ 0.0007052200000000, 0.0020132800000000, -0.0001738200000000 ] - [ -0.0009680300000000, 0.0003575800000000, -0.0001955300000000 ] - [ -0.0001075700000000, 0.0001647500000000, 0.0003720000000000 ] - [ -0.0006905900000000, 0.0014643000000000, 0.0008415800000000 ] - [ -0.0008253000000000, 0.0010692600000000, -0.0008744300000000 ] - [ 0.0001845500000000, -0.0112104800000000, 0.0010701700000000 ] - [ -0.0003296300000000, -0.0008474600000000, -0.0001072200000000 ] - [ -0.0009277200000000, -0.0008252600000000, -0.0003253100000000 ] - [ 0.0009008400000000, -0.0019933400000000, 0.0003067700000000 ] - [ 0.0008949800000000, 0.0006607200000000, 0.0006850400000000 ] - [ -0.0011862900000000, 0.0006435300000000, -0.0007223500000000 ] - [ -0.0016769400000000, 0.0014411900000000, 0.0005938000000000 ] - [ 0.0009820200000000, -0.0003352100000000, 0.0000140000000000 ] - [ 0.0000879000000000, -0.0001635100000000, -0.0005934000000000 ] - [ 0.0005830800000000, 0.0005489200000000, 0.0003491600000000 ] - [ 0.0143132400000000, -0.0382201900000000, 0.0218404200000000 ] - [ -0.0002636500000000, -0.0002560600000000, 0.0000667000000000 ] - [ 0.0006029000000000, -0.0000659900000000, -0.0002637500000000 ] - [ -0.0192159400000000, 0.0919891300000000, -0.0281626600000000 ] - [ -0.0002367100000000, 0.0040318500000000, 0.0001358800000000 ] - [ -0.0002428600000000, -0.0004717800000000, -0.0005912000000000 ] - [ -0.0057656700000000, -0.0114398600000000, 0.0043483000000000 ] - [ 0.0002263700000000, -0.0000735300000000, -0.0000381400000000 ] - [ 0.0001673300000000, 0.0008513900000000, 0.0005373700000000 ] - [ 0.0000359400000000, -0.0002434200000000, -0.0001082400000000 ] - [ 0.0008275100000000, -0.0001777500000000, -0.0005378300000000 ] - [ 0.0000580400000000, 0.0003204600000000, 0.0000423700000000 ] - [ -0.0004988900000000, -0.0003189700000000, 0.0000404700000000 ] - [ 0.0003786900000000, -0.0000775600000000, 0.0006037000000000 ] - [ -0.0002996900000000, -0.0007758900000000, 0.0003600700000000 ] - [ -0.0002568600000000, 0.0002812700000000, -0.0001893600000000 ] - [ -0.0000143800000000, -0.0003691100000000, -0.0002523500000000 ] - [ 0.0004794500000000, 0.0021029900000000, -0.0005524800000000 ] - [ 0.0004386800000000, -0.0004441300000000, 0.0007892000000000 ] - [ 0.0083006900000000, -0.0123008600000000, -0.0058573400000000 ] - [ 0.0003237600000000, 0.0000621100000000, 0.0006036500000000 ] - [ -0.0002049700000000, 0.0001960900000000, -0.0004938900000000 ] - [ -0.0003331500000000, 0.0000873600000000, -0.0004459800000000 ] - [ 0.0004986500000000, 0.0003074200000000, 0.0000589600000000 ] - [ 0.0006670500000000, -0.0001605200000000, 0.0001182100000000 ] - [ 0.0002473900000000, 0.0002723900000000, 0.0001165200000000 ] - [ -0.0000843100000000, 0.0002947600000000, -0.0000539600000000 ] - [ -0.0001594200000000, 0.0008490200000000, -0.0005142400000000 ] - [ 0.0000636500000000, -0.0002090000000000, -0.0000709300000000 ] - [ 0.0003578600000000, 0.0007409600000000, 0.0000749900000000 ] - [ -0.0001009800000000, -0.0001907800000000, 0.0001728800000000 ] - [ -0.0007534500000000, -0.0023261700000000, 0.0023367400000000 ] - [ 0.0002649300000000, 0.0002111400000000, 0.0000541700000000 ] - [ -0.0002816400000000, -0.0002700500000000, -0.0000403800000000 ] - [ -0.0008059700000000, 0.0014946800000000, -0.0003243400000000 ] - [ -0.0009838500000000, 0.0001726300000000, 0.0001700900000000 ] - [ -0.0000052900000000, -0.0000114000000000, -0.0003904500000000 ] - [ -0.0004194900000000, 0.0017335300000000, 0.0000094900000000 ] - [ 0.0000558300000000, -0.0002760300000000, 0.0001814900000000 ] - [ -0.0002607100000000, -0.0010644600000000, 0.0002400700000000 ] - [ -0.0056977500000000, 0.0007598700000000, -0.0133200000000000 ] - [ -0.0003938000000000, -0.0004365000000000, -0.0006716700000000 ] - [ -0.0002876800000000, 0.0001658700000000, -0.0000353000000000 ] - [ -0.0000456700000000, 0.0003216100000000, 0.0002196300000000 ] - [ -0.0119747400000000, -0.0006456400000000, 0.0008166000000000 ] - [ 0.0002654200000000, -0.0007808500000000, 0.0003318300000000 ] - [ -0.0000892900000000, 0.0002489700000000, 0.0001923200000000 ] - [ -0.0001024000000000, 0.0001535300000000, 0.0000275000000000 ] - [ -0.0006928700000000, 0.0038196600000000, -0.0002917100000000 ] - [ 0.0003618000000000, -0.0000960100000000, 0.0002216200000000 ] - [ 0.0005234500000000, -0.0004488200000000, 0.0002466900000000 ] - [ 0.0003931500000000, -0.0001907400000000, 0.0008247000000000 ] - [ -0.0001667400000000, -0.0000776400000000, -0.0000565300000000 ] - [ 0.0003139000000000, -0.0011870600000000, 0.0003406800000000 ] - [ 0.0002673700000000, -0.0009313600000000, -0.0003758000000000 ] - [ 0.0005915400000000, -0.0019732200000000, -0.0007184500000000 ] - [ -0.0004033900000000, 0.0002248100000000, -0.0008171900000000 ] - [ -0.0002362300000000, 0.0001090000000000, 0.0001504100000000 ] - [ -0.0001075400000000, 0.0002475700000000, 0.0000892000000000 ] - [ 0.0012076800000000, 0.0000029900000000, 0.0001651000000000 ] - [ -0.0000120600000000, 0.0000098900000000, 0.0005266900000000 ] - [ -0.0002594600000000, 0.0009051500000000, -0.0007374300000000 ] - [ 0.0063887500000000, -0.0046704100000000, 0.0153953500000000 ] - [ 0.0002475800000000, -0.0001868700000000, 0.0006147600000000 ] - [ 0.0000939200000000, -0.0002832500000000, -0.0000118600000000 ] - [ -0.0001337200000000, -0.0010914900000000, -0.0001941800000000 ] - [ 0.0014714400000000, 0.0057401100000000, 0.0011247700000000 ] - [ 0.0000897900000000, 0.0004436800000000, -0.0002562700000000 ] - [ -0.0002880700000000, 0.0003992400000000, -0.0005184800000000 ] - [ -0.0006053700000000, 0.0000764000000000, 0.0003267700000000 ] - [ 0.0145579600000000, -0.0005968500000000, -0.0003599400000000 ] - [ 0.0005803900000000, -0.0019941600000000, -0.0003659200000000 ] - [ 0.0010185200000000, -0.0017977300000000, -0.0003818100000000 ]- atom: 51 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ -0.0003179000000000, -0.0002551000000000, -0.0015441800000000 ] - [ 0.0021903600000000, -0.0027938400000000, -0.0022341300000000 ] - [ 0.0002934600000000, -0.0002839900000000, -0.0013945000000000 ] - [ -0.0002319500000000, -0.0005136200000000, -0.0016804200000000 ] - [ 0.0003524100000000, 0.0002787200000000, -0.0009492000000000 ] - [ 0.0003687200000000, -0.0004621000000000, 0.0023143600000000 ] - [ -0.0000700000000000, 0.0001611700000000, 0.0005364100000000 ] - [ 0.0020655000000000, 0.0017925700000000, -0.0024263200000000 ] - [ -0.0025801600000000, 0.0016296200000000, -0.0020014800000000 ] - [ -0.0006945700000000, -0.0081214300000000, 0.0087706200000000 ] - [ -0.0001170600000000, 0.0006678200000000, -0.0009846000000000 ] - [ 0.0000897800000000, 0.0005499100000000, -0.0007498900000000 ] - [ 0.0004338500000000, 0.0003339400000000, 0.0014168600000000 ] - [ -0.0006292700000000, -0.0005514300000000, -0.0005202800000000 ] - [ 0.0002837900000000, -0.0002313900000000, -0.0015589500000000 ] - [ -0.0026727500000000, 0.0028452600000000, -0.0005923600000000 ] - [ 0.0005473200000000, 0.0003690300000000, -0.0012504700000000 ] - [ -0.0005574100000000, 0.0002461700000000, -0.0003514700000000 ] - [ 0.0003424300000000, 0.0002838000000000, 0.0016604100000000 ] - [ -0.0000576800000000, -0.0007903400000000, -0.0014345300000000 ] - [ 0.0002507700000000, -0.0006117300000000, -0.0016735000000000 ] - [ 0.0005140200000000, -0.0008230700000000, -0.0009707400000000 ] - [ -0.0004001800000000, -0.0003297400000000, -0.0017634700000000 ] - [ -0.0000309300000000, -0.0000143400000000, -0.0012850500000000 ] - [ -0.0004627300000000, 0.0012648200000000, -0.0011622300000000 ] - [ -0.0006674700000000, 0.0004982100000000, 0.0048533000000000 ] - [ 0.0002107700000000, -0.0005853300000000, 0.0003698100000000 ] - [ -0.0029971400000000, -0.0017494100000000, -0.0032253900000000 ] - [ -0.0002866500000000, 0.0049765400000000, 0.0069565800000000 ] - [ 0.0031510100000000, 0.0018088400000000, 0.0006301200000000 ] - [ 0.0034421400000000, -0.0005150300000000, 0.0024479600000000 ] - [ 0.0003503100000000, 0.0006734700000000, -0.0019106100000000 ] - [ 0.0003817400000000, -0.0006191000000000, -0.0021969900000000 ] - [ -0.0008025200000000, 0.0004005500000000, -0.0021256900000000 ] - [ -0.0001938600000000, 0.0002271200000000, -0.0016584000000000 ] - [ -0.0005113800000000, -0.0002050600000000, 0.0039504200000000 ] - [ -0.0014576600000000, 0.0009068000000000, -0.0021465400000000 ] - [ 0.0097824500000000, 0.0001058800000000, 0.0123000500000000 ] - [ 0.0006553300000000, 0.0003204900000000, 0.0000739900000000 ] - [ -0.0002862900000000, -0.0003116900000000, -0.0032133400000000 ] - [ 0.0052393300000000, -0.0018466700000000, -0.0053075500000000 ] - [ 0.0014034200000000, 0.0007645300000000, -0.0009864100000000 ] - [ -0.0018113100000000, -0.0004611700000000, -0.0014839600000000 ] - [ -0.0008458100000000, -0.0003073900000000, 0.0031126100000000 ] - [ 0.0011145900000000, -0.0002749700000000, -0.0020047900000000 ] - [ 0.0000334900000000, -0.0000920700000000, -0.0023935800000000 ] - [ 0.0017639800000000, 0.0005459900000000, 0.0000877600000000 ] - [ 0.0521701700000000, -0.0124890200000000, 0.1096114200000000 ] - [ -0.0002702800000000, -0.0006844100000000, 0.0011826600000000 ] - [ 0.0003540800000000, 0.0003626500000000, 0.0007180900000000 ] - [ -0.0535082000000000, 0.0177792600000000, -0.1586518200000000 ] - [ 0.0018843600000000, 0.0001167900000000, 0.0178414100000000 ] - [ -0.0010132100000000, 0.0000134100000000, -0.0020586700000000 ] - [ -0.0021468500000000, -0.0053117900000000, 0.0003070500000000 ] - [ 0.0001537700000000, 0.0002677000000000, 0.0009124500000000 ] - [ -0.0004945900000000, 0.0007158100000000, 0.0012329200000000 ] - [ -0.0001601500000000, 0.0001412600000000, 0.0011052200000000 ] - [ 0.0000591200000000, 0.0012101100000000, -0.0012097600000000 ] - [ -0.0000905700000000, 0.0003144200000000, 0.0009494000000000 ] - [ -0.0004936100000000, -0.0004693800000000, 0.0010433000000000 ] - [ 0.0006763900000000, -0.0000402900000000, 0.0017043000000000 ] - [ -0.0004578900000000, -0.0007448300000000, 0.0011290500000000 ] - [ -0.0012643300000000, -0.0012939100000000, 0.0019582900000000 ] - [ -0.0004629400000000, -0.0007441400000000, -0.0009287100000000 ] - [ -0.0010276800000000, 0.0004131600000000, -0.0022222900000000 ] - [ 0.0008045200000000, -0.0002330900000000, 0.0014052200000000 ] - [ -0.0041658800000000, 0.0068434600000000, -0.0001602200000000 ] - [ 0.0002336600000000, -0.0006732700000000, 0.0024111900000000 ] - [ 0.0000327500000000, 0.0002329200000000, 0.0006941700000000 ] - [ 0.0000368800000000, 0.0001619400000000, 0.0007340800000000 ] - [ 0.0004551100000000, 0.0001595100000000, 0.0009948000000000 ] - [ 0.0008420700000000, -0.0005729500000000, -0.0005545300000000 ] - [ -0.0002103000000000, 0.0002915000000000, 0.0008653500000000 ] - [ 0.0003946600000000, -0.0000323100000000, 0.0009227900000000 ] - [ -0.0001356300000000, -0.0001034100000000, 0.0013847400000000 ] - [ -0.0001317100000000, -0.0002754200000000, 0.0006903900000000 ] - [ -0.0009828300000000, -0.0002217800000000, -0.0010863500000000 ] - [ -0.0007405300000000, 0.0004998900000000, 0.0010911000000000 ] - [ -0.0006834600000000, -0.0016831900000000, 0.0022197300000000 ] - [ 0.0003412900000000, -0.0001233300000000, 0.0009626500000000 ] - [ -0.0006554900000000, -0.0002604200000000, 0.0008072100000000 ] - [ -0.0057866400000000, -0.0000790200000000, 0.0039583800000000 ] - [ 0.0013094500000000, -0.0004983800000000, -0.0000562600000000 ] - [ -0.0000633100000000, -0.0006715000000000, 0.0006444400000000 ] - [ -0.0008909500000000, 0.0021476800000000, 0.0019984200000000 ] - [ 0.0000329000000000, -0.0002695600000000, 0.0010133900000000 ] - [ -0.0011753000000000, -0.0002775000000000, 0.0005349200000000 ] - [ 0.0080188100000000, 0.0046433300000000, 0.0106364400000000 ] - [ -0.0006672100000000, -0.0005240700000000, -0.0018521200000000 ] - [ -0.0007497800000000, -0.0000039800000000, 0.0007709100000000 ] - [ -0.0002882400000000, 0.0004399300000000, 0.0005981700000000 ] - [ 0.0006412500000000, -0.0019865900000000, -0.0051637500000000 ] - [ 0.0004388400000000, -0.0002126400000000, 0.0007626900000000 ] - [ 0.0003749300000000, 0.0006363400000000, 0.0015512400000000 ] - [ -0.0000500600000000, 0.0002317400000000, 0.0002466400000000 ] - [ -0.0140823000000000, -0.0008208000000000, 0.0075683200000000 ] - [ 0.0004957500000000, -0.0003017300000000, 0.0009117400000000 ] - [ -0.0000419400000000, 0.0006120400000000, -0.0015732000000000 ] - [ 0.0010931400000000, 0.0004346000000000, 0.0014770900000000 ] - [ 0.0003069600000000, -0.0001504800000000, 0.0000703600000000 ] - [ -0.0004394200000000, 0.0002145800000000, -0.0011961100000000 ] - [ 0.0004568200000000, -0.0007630600000000, 0.0002062300000000 ] - [ -0.0006509600000000, 0.0010676500000000, 0.0020441600000000 ] - [ -0.0003869100000000, 0.0001811600000000, 0.0000362200000000 ] - [ -0.0002719500000000, 0.0003406400000000, 0.0009014400000000 ] - [ -0.0001889600000000, -0.0001255300000000, 0.0009989500000000 ] - [ 0.0011633000000000, -0.0001711500000000, -0.0004553500000000 ] - [ -0.0001754700000000, 0.0001043300000000, 0.0007389500000000 ] - [ -0.0008974400000000, 0.0007872000000000, -0.0008537900000000 ] - [ 0.0070084300000000, -0.0088513300000000, 0.0083842200000000 ] - [ 0.0006300500000000, -0.0001822100000000, 0.0018402000000000 ] - [ -0.0001546700000000, -0.0008271200000000, 0.0009927400000000 ] - [ 0.0003762600000000, -0.0006900200000000, 0.0011130300000000 ] - [ -0.0024298700000000, 0.0005874800000000, -0.0100963000000000 ] - [ 0.0007433900000000, 0.0004028200000000, -0.0008606800000000 ] - [ -0.0004372900000000, 0.0006192100000000, -0.0011769700000000 ] - [ -0.0006868400000000, 0.0003941800000000, 0.0012227200000000 ] - [ -0.0004388200000000, 0.0021666200000000, -0.0057214600000000 ] - [ 0.0008320100000000, -0.0001039500000000, -0.0018249300000000 ] - [ 0.0011111100000000, -0.0009690200000000, -0.0026979200000000 ]- atom: 51 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ 0.0001715200000000, -0.0002438000000000, 0.0014746800000000 ] - [ -0.0019606300000000, 0.0020606900000000, 0.0027020200000000 ] - [ 0.0002367300000000, -0.0006736500000000, 0.0008071000000000 ] - [ -0.0004928600000000, -0.0003297200000000, 0.0010835300000000 ] - [ -0.0001278000000000, 0.0004361300000000, 0.0014487600000000 ] - [ -0.0006329600000000, -0.0007291600000000, -0.0012774700000000 ] - [ -0.0004599500000000, -0.0011166000000000, 0.0000461300000000 ] - [ -0.0019075700000000, -0.0022733800000000, 0.0024912200000000 ] - [ 0.0023616300000000, 0.0000070900000000, 0.0021579500000000 ] - [ 0.0003246300000000, 0.0080869700000000, -0.0091762800000000 ] - [ -0.0001729100000000, 0.0005226800000000, 0.0019837100000000 ] - [ 0.0006355700000000, 0.0002921200000000, 0.0013393800000000 ] - [ -0.0006576500000000, 0.0003844300000000, -0.0019057100000000 ] - [ 0.0004047100000000, -0.0010888800000000, 0.0006837800000000 ] - [ -0.0000441100000000, -0.0004001500000000, 0.0009234200000000 ] - [ 0.0033734800000000, -0.0036777900000000, 0.0011788600000000 ] - [ -0.0004031200000000, 0.0001281300000000, 0.0013137600000000 ] - [ 0.0003175800000000, 0.0003866900000000, 0.0009810400000000 ] - [ -0.0005015700000000, 0.0002086900000000, -0.0017447000000000 ] - [ 0.0001985400000000, 0.0004882000000000, 0.0017386800000000 ] - [ 0.0000390100000000, -0.0005785500000000, 0.0006685300000000 ] - [ -0.0002903700000000, -0.0008156400000000, 0.0008094800000000 ] - [ 0.0001740900000000, -0.0003831900000000, 0.0012578400000000 ] - [ -0.0001089800000000, 0.0003169800000000, 0.0009757700000000 ] - [ -0.0000661100000000, -0.0003084800000000, 0.0017433800000000 ] - [ 0.0009564800000000, 0.0006925900000000, -0.0058378600000000 ] - [ -0.0000623000000000, 0.0008851600000000, -0.0000551600000000 ] - [ 0.0027347000000000, 0.0011154900000000, 0.0038308600000000 ] - [ 0.0006498900000000, -0.0042005600000000, -0.0075955400000000 ] - [ -0.0029104100000000, -0.0011875900000000, -0.0012669600000000 ] - [ -0.0041624200000000, 0.0013593500000000, -0.0030669700000000 ] - [ -0.0001276400000000, 0.0009694800000000, 0.0017386800000000 ] - [ 0.0004468800000000, -0.0001908200000000, 0.0028338500000000 ] - [ -0.0011330900000000, 0.0002469200000000, 0.0019639200000000 ] - [ 0.0000078700000000, 0.0000868700000000, 0.0026509900000000 ] - [ 0.0003178100000000, -0.0001146400000000, -0.0029368500000000 ] - [ -0.0001928900000000, 0.0009538000000000, 0.0005097900000000 ] - [ -0.0079179400000000, 0.0005378200000000, -0.0120170300000000 ] - [ -0.0014975900000000, 0.0004878800000000, -0.0007220500000000 ] - [ -0.0005453900000000, -0.0004941600000000, 0.0025612900000000 ] - [ -0.0035652900000000, -0.0000061200000000, 0.0069520500000000 ] - [ 0.0002480700000000, 0.0010954500000000, 0.0026143800000000 ] - [ 0.0001630600000000, -0.0014004400000000, -0.0001596200000000 ] - [ -0.0010844200000000, -0.0003414000000000, -0.0032492600000000 ] - [ 0.0008207300000000, -0.0003724400000000, 0.0021577100000000 ] - [ 0.0001519400000000, -0.0002214100000000, 0.0013908700000000 ] - [ -0.0009318500000000, 0.0002605500000000, 0.0005490900000000 ] - [ -0.0498027400000000, 0.0124926700000000, -0.1090137400000000 ] - [ -0.0002659500000000, 0.0002121700000000, -0.0011799400000000 ] - [ 0.0008454500000000, -0.0004635500000000, -0.0013035900000000 ] - [ 0.0524289700000000, -0.0172904400000000, 0.1580308100000000 ] - [ -0.0017550000000000, -0.0006352400000000, -0.0180770800000000 ] - [ 0.0002903600000000, -0.0001802700000000, 0.0009597300000000 ] - [ 0.0023061100000000, 0.0057872600000000, -0.0005585000000000 ] - [ 0.0003227300000000, -0.0004265300000000, -0.0011036000000000 ] - [ 0.0008737900000000, 0.0005903700000000, -0.0003186600000000 ] - [ 0.0001024700000000, -0.0007168700000000, -0.0013220800000000 ] - [ 0.0011367300000000, -0.0011016900000000, 0.0006159900000000 ] - [ 0.0002863800000000, 0.0001924800000000, -0.0009311300000000 ] - [ -0.0005035700000000, -0.0001613100000000, -0.0010649600000000 ] - [ 0.0000447100000000, -0.0001283300000000, -0.0006085100000000 ] - [ -0.0000550400000000, -0.0009935700000000, -0.0002093400000000 ] - [ 0.0005671900000000, 0.0013526300000000, -0.0023163200000000 ] - [ 0.0006552700000000, 0.0012696800000000, 0.0007935500000000 ] - [ 0.0004933900000000, 0.0001427800000000, 0.0020582200000000 ] - [ 0.0000104100000000, -0.0001337700000000, 0.0003412100000000 ] - [ 0.0042946900000000, -0.0063663600000000, 0.0004605100000000 ] - [ 0.0001418600000000, -0.0006356200000000, -0.0014848100000000 ] - [ -0.0004776200000000, 0.0001499500000000, -0.0017608400000000 ] - [ -0.0007561100000000, 0.0000070400000000, -0.0018223300000000 ] - [ 0.0005429100000000, 0.0004704400000000, -0.0009681700000000 ] - [ -0.0001410700000000, 0.0006365000000000, 0.0009177500000000 ] - [ 0.0007202800000000, 0.0002651000000000, -0.0007122900000000 ] - [ -0.0005271300000000, 0.0005309700000000, -0.0011966900000000 ] - [ -0.0003159100000000, 0.0007008700000000, -0.0012616100000000 ] - [ 0.0002934300000000, -0.0001864900000000, -0.0009462300000000 ] - [ 0.0008329600000000, 0.0006365100000000, 0.0001855300000000 ] - [ 0.0011912700000000, 0.0001001200000000, -0.0012061300000000 ] - [ 0.0007376600000000, 0.0011052400000000, -0.0019914800000000 ] - [ 0.0001958700000000, 0.0005936700000000, -0.0009599900000000 ] - [ 0.0001430400000000, -0.0002965000000000, -0.0009564100000000 ] - [ 0.0050709900000000, -0.0002842600000000, -0.0057959700000000 ] - [ -0.0014664700000000, 0.0000311800000000, 0.0003070600000000 ] - [ -0.0000916200000000, 0.0002580400000000, -0.0015454700000000 ] - [ 0.0003800700000000, -0.0004185700000000, -0.0010823000000000 ] - [ 0.0000986000000000, -0.0002273900000000, -0.0007352800000000 ] - [ 0.0016266400000000, -0.0003194000000000, -0.0006506000000000 ] - [ -0.0073088600000000, -0.0049850400000000, -0.0104103500000000 ] - [ 0.0001315200000000, 0.0009926300000000, 0.0018476800000000 ] - [ 0.0000492100000000, -0.0000529600000000, -0.0011202900000000 ] - [ 0.0003457500000000, 0.0001400400000000, -0.0003730900000000 ] - [ -0.0007995200000000, 0.0014655900000000, 0.0052811700000000 ] - [ -0.0006372100000000, -0.0002935100000000, -0.0007736700000000 ] - [ -0.0005374300000000, -0.0001767700000000, -0.0012909500000000 ] - [ -0.0001474300000000, 0.0002750000000000, -0.0002643600000000 ] - [ 0.0133609400000000, 0.0004177400000000, -0.0084131900000000 ] - [ 0.0002012600000000, 0.0002464000000000, -0.0005564600000000 ] - [ 0.0005174100000000, -0.0004444000000000, 0.0013752400000000 ] - [ -0.0002754000000000, -0.0000655200000000, 0.0002677700000000 ] - [ -0.0007613700000000, -0.0004489600000000, 0.0000502800000000 ] - [ 0.0008811400000000, 0.0001687100000000, 0.0022543000000000 ] - [ 0.0000541100000000, -0.0009741300000000, -0.0011225100000000 ] - [ 0.0008024900000000, -0.0014728700000000, -0.0011305700000000 ] - [ -0.0004273200000000, 0.0001859100000000, -0.0017771100000000 ] - [ -0.0002042700000000, -0.0001796500000000, -0.0007056800000000 ] - [ -0.0000065400000000, 0.0006558400000000, -0.0008679200000000 ] - [ -0.0012893400000000, -0.0003201900000000, 0.0001699700000000 ] - [ 0.0003309100000000, 0.0003056100000000, 0.0001684500000000 ] - [ 0.0008430900000000, -0.0002145600000000, 0.0006379000000000 ] - [ -0.0073355000000000, 0.0084914400000000, -0.0080330900000000 ] - [ -0.0001825000000000, -0.0002008400000000, -0.0007666600000000 ] - [ 0.0003485300000000, 0.0002954000000000, -0.0011193000000000 ] - [ -0.0007486900000000, -0.0006174000000000, -0.0020245100000000 ] - [ 0.0013691900000000, 0.0000532500000000, 0.0099905100000000 ] - [ -0.0002274800000000, 0.0013383200000000, -0.0000452300000000 ] - [ 0.0000630500000000, 0.0006889300000000, 0.0002610800000000 ] - [ -0.0005135500000000, -0.0002928600000000, -0.0006337300000000 ] - [ -0.0007244300000000, -0.0022846000000000, 0.0063067300000000 ] - [ -0.0003207500000000, -0.0004533100000000, 0.0019692200000000 ] - [ -0.0001040500000000, 0.0003356900000000, 0.0027110500000000 ]- atom: 52 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ 0.0002850900000000, -0.0001051700000000, 0.0003333500000000 ] - [ 0.0004406500000000, -0.0001158200000000, 0.0007112300000000 ] - [ 0.0000535600000000, -0.0004621000000000, -0.0000508100000000 ] - [ -0.0003586800000000, -0.0003159900000000, -0.0003677500000000 ] - [ -0.0026339700000000, 0.0005723000000000, 0.0018786500000000 ] - [ -0.0010925000000000, -0.0006744200000000, 0.0005749400000000 ] - [ -0.0005528200000000, -0.0005660000000000, 0.0004761500000000 ] - [ 0.0003975000000000, -0.0004737600000000, 0.0005069200000000 ] - [ 0.0176889600000000, -0.0072430100000000, 0.0171295400000000 ] - [ 0.0064072600000000, 0.0048606100000000, 0.0050712400000000 ] - [ 0.0007989000000000, 0.0013471300000000, -0.0010156600000000 ] - [ -0.0010250100000000, 0.0003859500000000, -0.0004934400000000 ] - [ -0.0029013000000000, 0.0006143800000000, -0.0007146500000000 ] - [ -0.0001210500000000, -0.0008787700000000, 0.0002071100000000 ] - [ 0.0000776700000000, -0.0003666200000000, -0.0002645200000000 ] - [ 0.0004897800000000, -0.0005834100000000, 0.0001901100000000 ] - [ -0.0036239800000000, -0.0003695500000000, 0.0018156000000000 ] - [ -0.0021316300000000, -0.0006718400000000, -0.0010862500000000 ] - [ -0.0027744000000000, -0.0001917700000000, -0.0004698900000000 ] - [ 0.0053816500000000, 0.0004928000000000, 0.0029408700000000 ] - [ -0.0004489400000000, -0.0005426500000000, -0.0002733900000000 ] - [ 0.0000596200000000, -0.0007726500000000, 0.0000768200000000 ] - [ 0.0002686300000000, -0.0005070000000000, 0.0001128900000000 ] - [ -0.0002679400000000, 0.0001140100000000, 0.0001083700000000 ] - [ 0.0041442800000000, -0.0023508200000000, 0.0019294900000000 ] - [ 0.0009695800000000, 0.0010282200000000, -0.0014877000000000 ] - [ -0.0001853500000000, 0.0002626400000000, 0.0003724500000000 ] - [ -0.0000536100000000, -0.0002380100000000, 0.0004053100000000 ] - [ 0.0074106700000000, -0.0026903400000000, 0.0038337600000000 ] - [ -0.0016736700000000, -0.0061439300000000, -0.0025805000000000 ] - [ -0.0025327200000000, 0.0046728700000000, -0.0045428700000000 ] - [ 0.0016670600000000, 0.0038502000000000, -0.0016706900000000 ] - [ 0.0005682500000000, -0.0003821300000000, 0.0006801800000000 ] - [ -0.0012883300000000, 0.0000706300000000, 0.0016118400000000 ] - [ 0.0005251100000000, 0.0001417100000000, 0.0001495900000000 ] - [ -0.0006743000000000, -0.0003677700000000, -0.0001432900000000 ] - [ -0.0009117900000000, 0.0009205900000000, -0.0005088700000000 ] - [ -0.0003006000000000, 0.0008161500000000, 0.0041473400000000 ] - [ -0.0137923600000000, 0.0032128300000000, 0.0040407300000000 ] - [ -0.0002518200000000, -0.0004206800000000, 0.0000546100000000 ] - [ 0.1397340900000000, -0.0064116700000000, -0.0478332900000000 ] - [ 0.0006702900000000, 0.0009570500000000, 0.0011643800000000 ] - [ 0.0035482900000000, 0.0026557100000000, -0.0069581000000000 ] - [ -0.0004946600000000, -0.0002615600000000, 0.0009042800000000 ] - [ 0.0020589400000000, -0.0003048900000000, 0.0017769500000000 ] - [ -0.0009888600000000, 0.0001861100000000, -0.0006034600000000 ] - [ -0.0030040200000000, 0.0001247900000000, -0.0000252200000000 ] - [ 0.0022730300000000, -0.0000346300000000, -0.0007211900000000 ] - [ -0.0004819900000000, -0.0002032100000000, 0.0000695400000000 ] - [ 0.0007802000000000, -0.0009142100000000, -0.0020237200000000 ] - [ -0.0031226800000000, 0.0004175800000000, 0.0007550900000000 ] - [ -0.2190229000000000, 0.0160231100000000, 0.0326117100000000 ] - [ 0.0000575900000000, -0.0000797000000000, -0.0002744800000000 ] - [ -0.0022348600000000, 0.0014045400000000, 0.0005682700000000 ] - [ -0.0000075500000000, -0.0001258700000000, 0.0000318500000000 ] - [ 0.0052225400000000, 0.0000079900000000, 0.0006490400000000 ] - [ -0.0001039800000000, -0.0003491700000000, -0.0002437900000000 ] - [ 0.0006264000000000, -0.0001079100000000, -0.0006504100000000 ] - [ 0.0002302500000000, 0.0002538600000000, -0.0001801000000000 ] - [ 0.0000327200000000, -0.0004343300000000, 0.0003096000000000 ] - [ 0.0007739400000000, -0.0001237900000000, 0.0005453900000000 ] - [ -0.0002066600000000, -0.0008637900000000, 0.0002787900000000 ] - [ 0.0043031600000000, 0.0072553000000000, -0.0118418800000000 ] - [ 0.0001226500000000, 0.0003688100000000, -0.0004280000000000 ] - [ 0.0014829400000000, 0.0002365300000000, -0.0008217700000000 ] - [ 0.0012712600000000, -0.0008437200000000, 0.0026468900000000 ] - [ -0.0012440500000000, -0.0017821800000000, 0.0022750400000000 ] - [ 0.0000247700000000, -0.0006491200000000, 0.0001120900000000 ] - [ -0.0000949300000000, -0.0000952500000000, -0.0021069100000000 ] - [ -0.0011001400000000, 0.0004496500000000, -0.0003187300000000 ] - [ 0.0005372300000000, 0.0002310300000000, 0.0004844100000000 ] - [ 0.0001469200000000, 0.0025257700000000, 0.0010807100000000 ] - [ 0.0012451500000000, 0.0003191500000000, -0.0005147800000000 ] - [ -0.0004979200000000, 0.0000275600000000, 0.0010310100000000 ] - [ -0.0002669500000000, 0.0003226200000000, -0.0000589800000000 ] - [ 0.0002424400000000, -0.0002035300000000, -0.0002656100000000 ] - [ 0.0050258300000000, 0.0005743500000000, -0.0008781700000000 ] - [ 0.0002381200000000, 0.0002857000000000, -0.0001784700000000 ] - [ -0.0000365900000000, -0.0002075700000000, -0.0000458400000000 ] - [ 0.0012767600000000, 0.0000691000000000, 0.0003314300000000 ] - [ -0.0011896100000000, -0.0003391100000000, 0.0000332200000000 ] - [ 0.0246624200000000, 0.0025797100000000, 0.0056699800000000 ] - [ 0.0000696800000000, -0.0002484500000000, 0.0000382500000000 ] - [ -0.0001650200000000, -0.0001249600000000, -0.0006050400000000 ] - [ 0.0046463000000000, -0.0099553900000000, -0.0078110100000000 ] - [ 0.0002105000000000, -0.0002997200000000, 0.0000493100000000 ] - [ 0.0018805500000000, -0.0000161500000000, -0.0000563000000000 ] - [ -0.0002893300000000, -0.0002930600000000, -0.0002384600000000 ] - [ 0.0003238100000000, 0.0006901500000000, 0.0005763900000000 ] - [ -0.0002570500000000, -0.0000882500000000, -0.0003995100000000 ] - [ 0.0013767300000000, 0.0005593400000000, 0.0000762200000000 ] - [ 0.0030147000000000, 0.0002033700000000, -0.0039412700000000 ] - [ -0.0038922400000000, -0.0012315500000000, 0.0015069100000000 ] - [ -0.0021382500000000, 0.0042345000000000, 0.0062095900000000 ] - [ 0.0000239100000000, 0.0002492500000000, -0.0001522300000000 ] - [ -0.0008746200000000, -0.0002519200000000, -0.0016706400000000 ] - [ 0.0004109700000000, 0.0000367700000000, -0.0000270400000000 ] - [ 0.0008189500000000, 0.0000664900000000, 0.0001545000000000 ] - [ 0.0003685600000000, 0.0001484900000000, 0.0007827300000000 ] - [ 0.0133320200000000, 0.0011440000000000, 0.0004024100000000 ] - [ 0.0005374900000000, 0.0001297200000000, -0.0000306700000000 ] - [ 0.0002820100000000, -0.0008890600000000, -0.0006292000000000 ] - [ 0.0000085800000000, -0.0002984400000000, 0.0002930900000000 ] - [ -0.0004106400000000, 0.0002106600000000, -0.0009780300000000 ] - [ 0.0004574400000000, -0.0000368000000000, -0.0000480500000000 ] - [ -0.0002246100000000, 0.0003105200000000, -0.0003317600000000 ] - [ 0.0000596600000000, -0.0002135200000000, -0.0001502100000000 ] - [ 0.0019469000000000, 0.0003331800000000, 0.0004919400000000 ] - [ 0.0046729100000000, -0.0009154200000000, -0.0008142600000000 ] - [ -0.0008558100000000, 0.0001569000000000, -0.0000635300000000 ] - [ -0.0003311100000000, -0.0001661900000000, -0.0004997400000000 ] - [ 0.0004298500000000, 0.0014548000000000, -0.0019069600000000 ] - [ -0.0003591800000000, -0.0006569200000000, -0.0007620400000000 ] - [ -0.0014266700000000, 0.0005618100000000, 0.0016915600000000 ] - [ 0.0023452100000000, -0.0128358600000000, 0.0013869300000000 ] - [ 0.0018694000000000, 0.0005340600000000, 0.0000917000000000 ] - [ -0.0007096200000000, 0.0000312700000000, -0.0001239000000000 ] - [ 0.0020149200000000, -0.0006966700000000, -0.0031064300000000 ] - [ -0.0003498900000000, -0.0004011600000000, 0.0001715400000000 ] - [ 0.0006559900000000, -0.0003054100000000, 0.0003776600000000 ]- atom: 52 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ -0.0004276500000000, -0.0003920500000000, -0.0003959300000000 ] - [ -0.0002286300000000, -0.0005958900000000, -0.0002214900000000 ] - [ 0.0004755900000000, -0.0004959400000000, -0.0005321100000000 ] - [ -0.0003677700000000, -0.0005262100000000, -0.0002253200000000 ] - [ 0.0028470300000000, 0.0001459200000000, -0.0013593600000000 ] - [ 0.0008036800000000, -0.0005170700000000, 0.0004246800000000 ] - [ 0.0000172200000000, -0.0003918000000000, 0.0001029400000000 ] - [ -0.0002484700000000, -0.0000258200000000, -0.0004228300000000 ] - [ -0.0187030000000000, 0.0094057000000000, -0.0182155800000000 ] - [ -0.0066132600000000, -0.0051691300000000, -0.0053836100000000 ] - [ -0.0010823500000000, -0.0001551300000000, 0.0020065200000000 ] - [ 0.0017360500000000, 0.0004615200000000, 0.0010870300000000 ] - [ 0.0026749500000000, 0.0000892100000000, 0.0002195400000000 ] - [ -0.0000992800000000, -0.0007627200000000, -0.0000456800000000 ] - [ 0.0001613000000000, -0.0002648400000000, -0.0003674000000000 ] - [ 0.0002392800000000, -0.0002638000000000, 0.0004063300000000 ] - [ 0.0037550500000000, 0.0008597600000000, -0.0017350400000000 ] - [ 0.0018741400000000, 0.0013085300000000, 0.0017331500000000 ] - [ 0.0026103700000000, 0.0007000900000000, 0.0003788400000000 ] - [ -0.0052033000000000, -0.0007943300000000, -0.0026132100000000 ] - [ 0.0007355000000000, -0.0006475000000000, -0.0007265500000000 ] - [ 0.0001608100000000, -0.0008662600000000, -0.0002346900000000 ] - [ -0.0004911100000000, -0.0002072900000000, -0.0006117300000000 ] - [ 0.0001268700000000, 0.0001891700000000, -0.0004126800000000 ] - [ -0.0046404300000000, 0.0032955100000000, -0.0013318300000000 ] - [ -0.0006800600000000, 0.0001646100000000, 0.0004897100000000 ] - [ 0.0003289600000000, 0.0000395100000000, -0.0000604400000000 ] - [ -0.0001815300000000, -0.0003924200000000, 0.0002325100000000 ] - [ -0.0068766700000000, 0.0037004000000000, -0.0044604700000000 ] - [ 0.0019181600000000, 0.0066925700000000, 0.0019253500000000 ] - [ 0.0018119500000000, -0.0037690000000000, 0.0038989700000000 ] - [ -0.0014330700000000, -0.0021908500000000, 0.0014790900000000 ] - [ 0.0002619400000000, -0.0004237900000000, -0.0000329200000000 ] - [ -0.0006453600000000, 0.0005795800000000, -0.0017601300000000 ] - [ -0.0007094000000000, 0.0001735300000000, 0.0008464300000000 ] - [ 0.0004971100000000, 0.0000490100000000, 0.0011309600000000 ] - [ -0.0007347900000000, 0.0009402500000000, -0.0011228100000000 ] - [ 0.0022202600000000, -0.0001652300000000, -0.0040038100000000 ] - [ 0.0129110000000000, -0.0024074600000000, -0.0046682300000000 ] - [ -0.0005770600000000, -0.0003858200000000, -0.0006935000000000 ] - [ -0.1305302500000000, 0.0040715000000000, 0.0455965000000000 ] - [ 0.0009751100000000, 0.0009043700000000, 0.0004719100000000 ] - [ -0.0051784700000000, -0.0044931600000000, 0.0052946400000000 ] - [ -0.0014493100000000, -0.0003863600000000, -0.0010629300000000 ] - [ -0.0001183400000000, -0.0003418900000000, -0.0016086500000000 ] - [ 0.0011662200000000, -0.0005007300000000, -0.0003895800000000 ] - [ 0.0038174100000000, 0.0006849400000000, 0.0006669400000000 ] - [ -0.0020274700000000, 0.0003400800000000, -0.0002495400000000 ] - [ -0.0000552300000000, -0.0002715400000000, -0.0000661000000000 ] - [ 0.0004213700000000, 0.0008074600000000, 0.0014202700000000 ] - [ 0.0037731500000000, -0.0002480100000000, 0.0001914800000000 ] - [ 0.2117861700000000, -0.0166426600000000, -0.0271193700000000 ] - [ -0.0007805700000000, -0.0000885500000000, -0.0008199500000000 ] - [ 0.0023573200000000, -0.0009631200000000, -0.0008277500000000 ] - [ 0.0004814800000000, -0.0000316800000000, -0.0002223100000000 ] - [ -0.0048440600000000, 0.0013050400000000, 0.0002441000000000 ] - [ 0.0000458100000000, -0.0002300600000000, 0.0000191900000000 ] - [ 0.0005755900000000, 0.0002099700000000, 0.0000610800000000 ] - [ -0.0000301000000000, 0.0002518400000000, 0.0001930100000000 ] - [ -0.0010294600000000, -0.0001954500000000, -0.0003313400000000 ] - [ -0.0000493600000000, -0.0000447700000000, 0.0005515600000000 ] - [ -0.0003023600000000, -0.0008767300000000, 0.0006381300000000 ] - [ -0.0049289200000000, -0.0070357900000000, 0.0112349900000000 ] - [ 0.0000763800000000, 0.0001606300000000, 0.0002953300000000 ] - [ -0.0019879400000000, 0.0003191100000000, 0.0006743000000000 ] - [ -0.0004550700000000, 0.0004765200000000, -0.0009034100000000 ] - [ 0.0013262500000000, 0.0022879300000000, -0.0019953600000000 ] - [ 0.0003506800000000, -0.0006593200000000, 0.0008079100000000 ] - [ -0.0003528500000000, 0.0004792600000000, 0.0010243700000000 ] - [ 0.0003726500000000, -0.0002830900000000, -0.0007769300000000 ] - [ 0.0004669500000000, 0.0003982600000000, -0.0004601900000000 ] - [ 0.0005637000000000, -0.0024480900000000, -0.0007114700000000 ] - [ -0.0007332600000000, 0.0002358500000000, 0.0006608500000000 ] - [ 0.0003492800000000, 0.0004300700000000, -0.0012671400000000 ] - [ -0.0001903600000000, 0.0002762600000000, 0.0001774700000000 ] - [ -0.0000796100000000, -0.0002585200000000, 0.0000062400000000 ] - [ -0.0051489600000000, -0.0001462500000000, -0.0000271600000000 ] - [ 0.0002210900000000, 0.0003120100000000, 0.0000566800000000 ] - [ 0.0000937600000000, -0.0003685200000000, 0.0002662500000000 ] - [ -0.0007335400000000, 0.0004072900000000, -0.0003406700000000 ] - [ 0.0006776200000000, -0.0002165900000000, -0.0001843300000000 ] - [ -0.0247232700000000, -0.0028451400000000, -0.0071813700000000 ] - [ -0.0002327800000000, -0.0002130300000000, 0.0002201900000000 ] - [ 0.0000094900000000, -0.0002842200000000, -0.0003036800000000 ] - [ -0.0050556000000000, 0.0114500500000000, 0.0085517900000000 ] - [ -0.0000763200000000, -0.0001973800000000, 0.0002253500000000 ] - [ -0.0014227700000000, -0.0005802900000000, -0.0000597300000000 ] - [ 0.0008139300000000, -0.0001899900000000, 0.0002156500000000 ] - [ -0.0008622100000000, -0.0002043400000000, -0.0005616300000000 ] - [ -0.0004373300000000, 0.0000357400000000, 0.0000460400000000 ] - [ -0.0013140200000000, 0.0000196600000000, 0.0001441000000000 ] - [ -0.0032136500000000, -0.0007392100000000, 0.0040963500000000 ] - [ 0.0036789700000000, 0.0007204000000000, -0.0015163400000000 ] - [ 0.0019912800000000, -0.0037560000000000, -0.0059329100000000 ] - [ -0.0002242800000000, 0.0002565400000000, 0.0001373300000000 ] - [ 0.0004367800000000, -0.0001319500000000, 0.0006003500000000 ] - [ 0.0002836600000000, -0.0000888300000000, 0.0003786900000000 ] - [ -0.0003473100000000, 0.0000875500000000, -0.0003403300000000 ] - [ 0.0004454300000000, 0.0002185900000000, 0.0009630700000000 ] - [ -0.0138977900000000, -0.0017817100000000, -0.0003161300000000 ] - [ -0.0000870200000000, 0.0002553200000000, 0.0011047900000000 ] - [ 0.0002265300000000, -0.0008531100000000, -0.0002906100000000 ] - [ 0.0001470300000000, -0.0001131100000000, 0.0006115500000000 ] - [ -0.0004040500000000, 0.0001574100000000, -0.0007695700000000 ] - [ -0.0009296500000000, 0.0001951200000000, 0.0002370700000000 ] - [ 0.0000266500000000, 0.0002195600000000, 0.0004616400000000 ] - [ -0.0001931800000000, -0.0002831900000000, -0.0001244700000000 ] - [ -0.0017879000000000, 0.0000693500000000, 0.0004147800000000 ] - [ -0.0047088800000000, 0.0014704400000000, 0.0006014400000000 ] - [ 0.0003698300000000, -0.0003037600000000, 0.0002424600000000 ] - [ 0.0007733700000000, -0.0002175300000000, 0.0015647800000000 ] - [ -0.0002315200000000, -0.0019803200000000, 0.0017654800000000 ] - [ -0.0000167300000000, -0.0006511000000000, -0.0001614200000000 ] - [ 0.0004027600000000, 0.0000710900000000, -0.0016959900000000 ] - [ -0.0018129800000000, 0.0146065000000000, -0.0022910800000000 ] - [ -0.0022328800000000, 0.0007735600000000, -0.0010083800000000 ] - [ -0.0004921100000000, 0.0000701300000000, 0.0007109400000000 ] - [ -0.0032177900000000, 0.0006048400000000, 0.0037232900000000 ] - [ 0.0008603500000000, -0.0001555300000000, -0.0000214400000000 ] - [ 0.0003393800000000, -0.0003241500000000, -0.0003557400000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001176600000000, -0.0002905400000000, 0.0000390800000000 ] - [ 0.0000337400000000, -0.0003168800000000, 0.0002544500000000 ] - [ 0.0002685700000000, -0.0004947600000000, -0.0002295400000000 ] - [ -0.0003399500000000, -0.0003819800000000, -0.0002036800000000 ] - [ 0.0017756000000000, 0.0009312700000000, -0.0011575200000000 ] - [ -0.0000713100000000, -0.0005945300000000, 0.0005505300000000 ] - [ -0.0002679800000000, -0.0004646700000000, 0.0003577900000000 ] - [ 0.0000828500000000, -0.0002364800000000, 0.0001368100000000 ] - [ -0.0073854400000000, 0.0087451800000000, -0.0094580500000000 ] - [ 0.0018037600000000, 0.0076366900000000, -0.0005461700000000 ] - [ 0.0000120400000000, 0.0023921400000000, 0.0005826200000000 ] - [ 0.0011749700000000, -0.0001442900000000, 0.0006650700000000 ] - [ 0.0009643900000000, 0.0000062000000000, -0.0006815200000000 ] - [ -0.0001054200000000, -0.0008283600000000, 0.0001303100000000 ] - [ 0.0001156000000000, -0.0003210600000000, -0.0002739600000000 ] - [ 0.0003311800000000, -0.0003785000000000, 0.0004159800000000 ] - [ -0.0017679500000000, 0.0001475900000000, 0.0008348100000000 ] - [ -0.0008580100000000, -0.0002106000000000, 0.0002620300000000 ] - [ -0.0009264400000000, -0.0001869000000000, -0.0001181500000000 ] - [ -0.0015950900000000, -0.0025459800000000, -0.0029910600000000 ] - [ 0.0002545700000000, -0.0006043200000000, -0.0004434800000000 ] - [ 0.0001160000000000, -0.0008211000000000, -0.0000299200000000 ] - [ -0.0001188600000000, -0.0003397700000000, -0.0002375300000000 ] - [ -0.0000589900000000, 0.0001674800000000, -0.0001104500000000 ] - [ 0.0001410300000000, -0.0021189600000000, 0.0015838200000000 ] - [ 0.0000175200000000, -0.0025539100000000, -0.0005016200000000 ] - [ 0.0001193500000000, 0.0001421700000000, 0.0001828400000000 ] - [ -0.0000799600000000, -0.0002940000000000, 0.0004233400000000 ] - [ 0.0001841100000000, 0.0150892600000000, -0.0075750200000000 ] - [ -0.0014464300000000, 0.0007013000000000, -0.0002901500000000 ] - [ 0.0011852500000000, 0.0019201300000000, -0.0000719900000000 ] - [ 0.0001174700000000, -0.0042855800000000, 0.0007660800000000 ] - [ 0.0004013000000000, -0.0003635000000000, 0.0003981900000000 ] - [ -0.0009005500000000, -0.0015949100000000, -0.0002102600000000 ] - [ -0.0003207400000000, -0.0002016100000000, 0.0006273600000000 ] - [ 0.0000742500000000, -0.0009081100000000, 0.0004923700000000 ] - [ -0.0008142900000000, 0.0009437300000000, -0.0007402500000000 ] - [ 0.0009874700000000, 0.0042102800000000, 0.0000853000000000 ] - [ -0.0001719700000000, 0.0007578300000000, -0.0004080400000000 ] - [ -0.0004362000000000, -0.0004021500000000, -0.0002212200000000 ] - [ -0.0019517700000000, 0.0328789900000000, 0.0002765600000000 ] - [ 0.0008214600000000, 0.0009319300000000, 0.0008901300000000 ] - [ -0.0031981000000000, -0.0126005800000000, -0.0014663300000000 ] - [ -0.0009068800000000, -0.0007552800000000, -0.0001338700000000 ] - [ 0.0010657000000000, -0.0001582000000000, 0.0003632100000000 ] - [ 0.0000339000000000, 0.0003670700000000, -0.0004873700000000 ] - [ 0.0012566000000000, -0.0004588500000000, 0.0003025500000000 ] - [ -0.0000739600000000, -0.0003571500000000, -0.0002693700000000 ] - [ -0.0002315600000000, -0.0001436900000000, -0.0000400200000000 ] - [ 0.0002198600000000, 0.0012824200000000, 0.0012718900000000 ] - [ 0.0006193300000000, -0.0042059100000000, 0.0010851300000000 ] - [ 0.0168837300000000, -0.0802506800000000, 0.0191574600000000 ] - [ -0.0004236400000000, 0.0000163900000000, -0.0006021100000000 ] - [ 0.0031206000000000, 0.0057485400000000, 0.0023975600000000 ] - [ 0.0002973000000000, 0.0000176500000000, -0.0002250700000000 ] - [ 0.0001283300000000, -0.0004800900000000, 0.0006863700000000 ] - [ -0.0000199400000000, -0.0003140400000000, -0.0001640500000000 ] - [ 0.0006048900000000, 0.0001328000000000, -0.0002385200000000 ] - [ 0.0000972200000000, 0.0002527200000000, -0.0000372100000000 ] - [ -0.0005106100000000, -0.0005864300000000, 0.0000036600000000 ] - [ 0.0003764500000000, -0.0001510200000000, 0.0004861600000000 ] - [ -0.0002598300000000, -0.0008690200000000, 0.0004260600000000 ] - [ 0.0102877000000000, -0.0007852500000000, -0.0093586200000000 ] - [ 0.0000539300000000, 0.0003739200000000, -0.0001147000000000 ] - [ -0.0003865100000000, -0.0003527200000000, 0.0000110500000000 ] - [ 0.0002297800000000, 0.0021000000000000, 0.0003184100000000 ] - [ -0.0037279500000000, 0.0056030600000000, -0.0036919800000000 ] - [ 0.0001848600000000, -0.0006394700000000, 0.0004008400000000 ] - [ -0.0001067000000000, -0.0003948400000000, -0.0008775500000000 ] - [ -0.0002463300000000, 0.0006134900000000, -0.0005336600000000 ] - [ 0.0005085500000000, 0.0005314000000000, -0.0002093200000000 ] - [ 0.0036117300000000, 0.0099378500000000, 0.0029228000000000 ] - [ 0.0001041200000000, 0.0006372700000000, 0.0001475600000000 ] - [ -0.0012015800000000, 0.0004061500000000, -0.0026953900000000 ] - [ -0.0002058900000000, 0.0003157800000000, 0.0000057600000000 ] - [ 0.0000718700000000, -0.0002243000000000, -0.0001720500000000 ] - [ -0.0006127100000000, -0.0000106100000000, -0.0005365600000000 ] - [ 0.0002421100000000, 0.0002844200000000, -0.0000921700000000 ] - [ 0.0000214800000000, -0.0003025600000000, 0.0001111900000000 ] - [ 0.0004196100000000, 0.0000503200000000, 0.0001932400000000 ] - [ -0.0003097900000000, -0.0005065300000000, -0.0000871400000000 ] - [ 0.0010786300000000, -0.0063086600000000, -0.0006245700000000 ] - [ -0.0001162200000000, -0.0002250400000000, 0.0000858600000000 ] - [ -0.0000764400000000, -0.0001883800000000, -0.0004928200000000 ] - [ -0.0134640600000000, 0.0059940400000000, 0.0095420400000000 ] - [ 0.0000418900000000, -0.0002503800000000, 0.0000935800000000 ] - [ -0.0000219800000000, 0.0006314900000000, -0.0001854200000000 ] - [ 0.0001459800000000, -0.0004657100000000, -0.0004459000000000 ] - [ -0.0000858400000000, 0.0004637000000000, 0.0002731100000000 ] - [ -0.0003519300000000, -0.0000431200000000, -0.0002079800000000 ] - [ -0.0001107700000000, 0.0005931700000000, 0.0002738500000000 ] - [ 0.0014971500000000, -0.0010382400000000, -0.0019850500000000 ] - [ 0.0008846100000000, 0.0023524100000000, 0.0000108400000000 ] - [ 0.0017445600000000, -0.0004266700000000, 0.0034778600000000 ] - [ -0.0001020600000000, 0.0002543700000000, -0.0000517900000000 ] - [ -0.0002337200000000, -0.0006219700000000, -0.0005347300000000 ] - [ 0.0003407700000000, -0.0000068800000000, 0.0001420200000000 ] - [ -0.0001236600000000, 0.0003933600000000, -0.0003227800000000 ] - [ 0.0003904900000000, 0.0001700600000000, 0.0008153600000000 ] - [ -0.0001741500000000, -0.0011434800000000, -0.0001859500000000 ] - [ 0.0002191100000000, 0.0007217700000000, 0.0005305600000000 ] - [ 0.0002506700000000, -0.0008811500000000, -0.0005012900000000 ] - [ 0.0001072700000000, -0.0002584700000000, 0.0003928400000000 ] - [ -0.0004133900000000, 0.0001869700000000, -0.0009083700000000 ] - [ -0.0003695700000000, -0.0001423900000000, -0.0000674200000000 ] - [ -0.0001207200000000, 0.0002593800000000, 0.0000141300000000 ] - [ -0.0000684200000000, -0.0002513900000000, -0.0001770600000000 ] - [ -0.0006194100000000, 0.0005996600000000, 0.0003185900000000 ] - [ 0.0001758200000000, -0.0002023500000000, 0.0000761500000000 ] - [ -0.0000649400000000, -0.0005268400000000, 0.0003022200000000 ] - [ 0.0002641200000000, 0.0001713900000000, 0.0006042500000000 ] - [ 0.0003245400000000, 0.0011030700000000, -0.0009862600000000 ] - [ -0.0001867500000000, -0.0006643600000000, -0.0004989800000000 ] - [ -0.0005372200000000, 0.0001654300000000, -0.0000553300000000 ] - [ -0.0066196400000000, 0.0191782000000000, -0.0027645300000000 ] - [ -0.0005865400000000, 0.0014334000000000, -0.0003055900000000 ] - [ -0.0006071700000000, -0.0000575500000000, 0.0002360800000000 ] - [ -0.0022707200000000, -0.0010745900000000, 0.0023679800000000 ] - [ 0.0002627100000000, 0.0001496800000000, 0.0001680100000000 ] - [ 0.0003318900000000, 0.0001133300000000, -0.0001372500000000 ]- atom: 52 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000285200000000, -0.0002078700000000, -0.0001071100000000 ] - [ 0.0001820600000000, -0.0003947900000000, 0.0002287700000000 ] - [ 0.0002623000000000, -0.0004629900000000, -0.0003584100000000 ] - [ -0.0003858700000000, -0.0004605900000000, -0.0003923300000000 ] - [ -0.0015524600000000, -0.0002235400000000, 0.0016631200000000 ] - [ -0.0002170100000000, -0.0005971300000000, 0.0004515000000000 ] - [ -0.0002665300000000, -0.0004930000000000, 0.0002190800000000 ] - [ 0.0000692500000000, -0.0002626600000000, -0.0000586200000000 ] - [ 0.0071076200000000, -0.0072480500000000, 0.0096434900000000 ] - [ -0.0019887200000000, -0.0074329900000000, 0.0007271800000000 ] - [ -0.0003048000000000, -0.0011942000000000, 0.0004135300000000 ] - [ -0.0004465600000000, 0.0009945100000000, -0.0000654200000000 ] - [ -0.0011691700000000, 0.0007098900000000, 0.0001954100000000 ] - [ -0.0001159800000000, -0.0008124900000000, 0.0000282100000000 ] - [ 0.0001227300000000, -0.0003097600000000, -0.0003602200000000 ] - [ 0.0003950000000000, -0.0004665100000000, 0.0001748400000000 ] - [ 0.0019306900000000, 0.0003547900000000, -0.0007782400000000 ] - [ 0.0006148100000000, 0.0008308800000000, 0.0003795500000000 ] - [ 0.0007831500000000, 0.0006807200000000, 0.0000374200000000 ] - [ 0.0017401000000000, 0.0022350700000000, 0.0033122600000000 ] - [ 0.0000375100000000, -0.0005858000000000, -0.0005610100000000 ] - [ 0.0001057400000000, -0.0008173100000000, -0.0001314300000000 ] - [ -0.0001070100000000, -0.0003727500000000, -0.0002667600000000 ] - [ -0.0000802500000000, 0.0001356900000000, -0.0001991500000000 ] - [ -0.0006887800000000, 0.0030964600000000, -0.0009984500000000 ] - [ 0.0002776700000000, 0.0037467600000000, -0.0005139900000000 ] - [ 0.0000251100000000, 0.0001601500000000, 0.0001267700000000 ] - [ -0.0001586400000000, -0.0003374300000000, 0.0002072300000000 ] - [ 0.0002420000000000, -0.0148157400000000, 0.0078863600000000 ] - [ 0.0016767800000000, -0.0000407000000000, -0.0003310000000000 ] - [ -0.0019184000000000, -0.0010994700000000, -0.0005088300000000 ] - [ 0.0000937200000000, 0.0059276500000000, -0.0009126700000000 ] - [ 0.0004278800000000, -0.0004415800000000, 0.0002411100000000 ] - [ -0.0010338300000000, 0.0022514200000000, 0.0000484200000000 ] - [ 0.0001322600000000, 0.0005139200000000, 0.0003703600000000 ] - [ -0.0002649500000000, 0.0005945600000000, 0.0005035400000000 ] - [ -0.0008319200000000, 0.0009172100000000, -0.0008986200000000 ] - [ 0.0009557700000000, -0.0035553500000000, 0.0000595400000000 ] - [ -0.0006351800000000, 0.0000466100000000, -0.0002331600000000 ] - [ -0.0003933900000000, -0.0004031600000000, -0.0004246600000000 ] - [ 0.0028441300000000, -0.0347251900000000, 0.0018278500000000 ] - [ 0.0008257100000000, 0.0009304400000000, 0.0007415600000000 ] - [ 0.0015285500000000, 0.0107222700000000, -0.0001204900000000 ] - [ -0.0010301400000000, 0.0001067700000000, -0.0000274100000000 ] - [ 0.0008724800000000, -0.0004892600000000, -0.0002156200000000 ] - [ 0.0001515800000000, -0.0006799800000000, -0.0005140800000000 ] - [ -0.0004188200000000, 0.0012671100000000, 0.0003515600000000 ] - [ 0.0002687900000000, 0.0006682800000000, -0.0007165500000000 ] - [ -0.0003053800000000, -0.0003287600000000, 0.0000445500000000 ] - [ 0.0009789300000000, -0.0013858000000000, -0.0018630300000000 ] - [ 0.0000890100000000, 0.0043711100000000, -0.0000301100000000 ] - [ -0.0157513000000000, 0.0799171000000000, -0.0208279200000000 ] - [ -0.0002966100000000, -0.0001844600000000, -0.0004889200000000 ] - [ -0.0029188400000000, -0.0052371500000000, -0.0026278000000000 ] - [ 0.0001788000000000, -0.0001738800000000, 0.0000357000000000 ] - [ 0.0002376600000000, 0.0017942400000000, 0.0002321000000000 ] - [ -0.0000380000000000, -0.0002620100000000, -0.0000571500000000 ] - [ 0.0005925600000000, -0.0000308700000000, -0.0003472300000000 ] - [ 0.0000980800000000, 0.0002543400000000, 0.0000556300000000 ] - [ -0.0004888300000000, -0.0000463600000000, -0.0000259900000000 ] - [ 0.0003450100000000, -0.0000171700000000, 0.0006100200000000 ] - [ -0.0002507600000000, -0.0008710300000000, 0.0004935900000000 ] - [ -0.0109466200000000, 0.0007956500000000, 0.0089272500000000 ] - [ 0.0001392000000000, 0.0001566500000000, -0.0000135100000000 ] - [ -0.0001284700000000, 0.0009097100000000, -0.0001626000000000 ] - [ 0.0005739000000000, -0.0024540000000000, 0.0013968400000000 ] - [ 0.0039166400000000, -0.0051482000000000, 0.0040067400000000 ] - [ 0.0001891900000000, -0.0006676900000000, 0.0005201100000000 ] - [ -0.0003397100000000, 0.0007811300000000, -0.0001905300000000 ] - [ -0.0004744600000000, -0.0004422500000000, -0.0005621300000000 ] - [ 0.0004917000000000, 0.0001007100000000, 0.0002320600000000 ] - [ -0.0029555500000000, -0.0099468500000000, -0.0025700400000000 ] - [ 0.0004021400000000, -0.0000806900000000, 0.0000070500000000 ] - [ 0.0010814000000000, 0.0000955600000000, 0.0023913700000000 ] - [ -0.0002493100000000, 0.0002825800000000, 0.0001150800000000 ] - [ 0.0000895100000000, -0.0002369800000000, -0.0000866300000000 ] - [ 0.0004410800000000, 0.0004159300000000, -0.0003712900000000 ] - [ 0.0002138600000000, 0.0003130300000000, -0.0000270600000000 ] - [ 0.0000364800000000, -0.0002759100000000, 0.0001145300000000 ] - [ 0.0001180700000000, 0.0004239800000000, -0.0001966800000000 ] - [ -0.0002010600000000, -0.0000511200000000, -0.0000630300000000 ] - [ -0.0019431900000000, 0.0059475100000000, -0.0011338200000000 ] - [ -0.0000466200000000, -0.0002363300000000, 0.0001754000000000 ] - [ -0.0000797200000000, -0.0002241800000000, -0.0004118100000000 ] - [ 0.0131336800000000, -0.0043301500000000, -0.0087723400000000 ] - [ 0.0000888300000000, -0.0002462200000000, 0.0001817900000000 ] - [ 0.0004753500000000, -0.0012332800000000, 0.0000601900000000 ] - [ 0.0003929500000000, -0.0000061400000000, 0.0004447600000000 ] - [ -0.0004500200000000, 0.0000076300000000, -0.0002702500000000 ] - [ -0.0003452200000000, -0.0000091600000000, -0.0001428400000000 ] - [ 0.0001637500000000, -0.0000210100000000, -0.0000558200000000 ] - [ -0.0016920800000000, 0.0005028200000000, 0.0021248600000000 ] - [ -0.0010689800000000, -0.0028577900000000, -0.0000427300000000 ] - [ -0.0019028400000000, 0.0009320700000000, -0.0032052300000000 ] - [ -0.0000963100000000, 0.0002527200000000, 0.0000377300000000 ] - [ -0.0002095800000000, 0.0002373500000000, -0.0005332600000000 ] - [ 0.0003558300000000, -0.0000470000000000, 0.0002122400000000 ] - [ 0.0006025900000000, -0.0002327100000000, 0.0001303000000000 ] - [ 0.0004246600000000, 0.0001964800000000, 0.0009311800000000 ] - [ -0.0002702800000000, 0.0005453400000000, 0.0002957800000000 ] - [ 0.0002251300000000, -0.0003364600000000, 0.0005434800000000 ] - [ 0.0002591300000000, -0.0008581400000000, -0.0004152200000000 ] - [ 0.0000503600000000, -0.0001507500000000, 0.0005158400000000 ] - [ -0.0003999200000000, 0.0001799900000000, -0.0008329500000000 ] - [ -0.0001081900000000, 0.0002996700000000, 0.0002594700000000 ] - [ -0.0000730900000000, 0.0002696500000000, 0.0001185000000000 ] - [ -0.0000626200000000, -0.0002447000000000, -0.0000955400000000 ] - [ 0.0007725300000000, -0.0001840400000000, 0.0005849000000000 ] - [ -0.0002433400000000, 0.0007886800000000, -0.0003022900000000 ] - [ -0.0004096800000000, 0.0003701600000000, -0.0001101200000000 ] - [ 0.0001824100000000, -0.0005566500000000, 0.0004692300000000 ] - [ -0.0001329400000000, -0.0016454300000000, 0.0008666800000000 ] - [ -0.0001874800000000, -0.0006422300000000, -0.0004187500000000 ] - [ -0.0004577100000000, 0.0004670100000000, 0.0000263500000000 ] - [ 0.0069641600000000, -0.0172287500000000, 0.0018192000000000 ] - [ 0.0001966700000000, -0.0001235800000000, -0.0006178200000000 ] - [ -0.0005918100000000, 0.0001606300000000, 0.0003542400000000 ] - [ 0.0010608000000000, 0.0009773300000000, -0.0017627400000000 ] - [ 0.0002468400000000, -0.0007072600000000, -0.0000115300000000 ] - [ 0.0006711900000000, -0.0007444700000000, 0.0001676000000000 ]- atom: 52 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ -0.0003878400000000, -0.0003137000000000, -0.0017319300000000 ] - [ 0.0004050400000000, -0.0008905300000000, -0.0016914600000000 ] - [ 0.0004689900000000, -0.0002726100000000, -0.0016474400000000 ] - [ -0.0003886200000000, -0.0005297400000000, -0.0017074000000000 ] - [ 0.0027296900000000, 0.0000802400000000, -0.0007951000000000 ] - [ 0.0001027600000000, -0.0004535400000000, -0.0006707600000000 ] - [ -0.0000717900000000, -0.0003871300000000, -0.0007211000000000 ] - [ 0.0003707800000000, 0.0001926600000000, -0.0018908200000000 ] - [ 0.0086770700000000, -0.0044581500000000, 0.0213768400000000 ] - [ -0.0007085500000000, -0.0030008300000000, 0.0022729300000000 ] - [ -0.0006938500000000, 0.0011620700000000, -0.0014421700000000 ] - [ -0.0002161700000000, 0.0016224300000000, 0.0009125300000000 ] - [ 0.0023354200000000, -0.0005575400000000, 0.0020398700000000 ] - [ -0.0002060900000000, -0.0006894300000000, -0.0011320500000000 ] - [ 0.0001326900000000, -0.0001629600000000, -0.0015408800000000 ] - [ -0.0002664500000000, 0.0004018600000000, -0.0009279100000000 ] - [ 0.0052523300000000, 0.0009067800000000, -0.0019478300000000 ] - [ -0.0015295000000000, -0.0004519100000000, 0.0023171900000000 ] - [ 0.0024683100000000, 0.0013147200000000, 0.0021671200000000 ] - [ -0.0018116000000000, -0.0034703900000000, -0.0021417100000000 ] - [ 0.0005543300000000, -0.0006646700000000, -0.0017486300000000 ] - [ 0.0002146300000000, -0.0008849800000000, -0.0012752800000000 ] - [ -0.0005045800000000, -0.0002685100000000, -0.0019585400000000 ] - [ 0.0001114800000000, 0.0000056400000000, -0.0015593400000000 ] - [ -0.0037489800000000, 0.0055338000000000, -0.0017029500000000 ] - [ -0.0002098500000000, 0.0007900300000000, -0.0006590300000000 ] - [ 0.0002278300000000, -0.0000328200000000, -0.0009101300000000 ] - [ -0.0006864500000000, -0.0007867700000000, -0.0013737700000000 ] - [ -0.0034022000000000, -0.0064307800000000, 0.0097824400000000 ] - [ -0.0004024100000000, 0.0028209900000000, 0.0027972500000000 ] - [ -0.0012275200000000, -0.0015117700000000, 0.0032057100000000 ] - [ -0.0013336000000000, -0.0021998200000000, 0.0059479400000000 ] - [ 0.0003771900000000, -0.0005201400000000, -0.0020815100000000 ] - [ -0.0001875700000000, 0.0011472100000000, -0.0029126000000000 ] - [ -0.0008060400000000, 0.0001863600000000, -0.0014835900000000 ] - [ -0.0006019300000000, 0.0002098100000000, 0.0008129400000000 ] - [ -0.0008283700000000, 0.0009083000000000, -0.0028004200000000 ] - [ 0.0042188000000000, -0.0003642100000000, -0.0041335200000000 ] - [ 0.0048103700000000, -0.0002164000000000, 0.0030685900000000 ] - [ -0.0004035200000000, -0.0003281800000000, -0.0028605300000000 ] - [ -0.0973705300000000, 0.0005452500000000, 0.0712007100000000 ] - [ 0.0010765800000000, 0.0009387600000000, -0.0012436500000000 ] - [ -0.0042477900000000, -0.0018461200000000, 0.0072496800000000 ] - [ -0.0002839600000000, -0.0004660900000000, -0.0012959700000000 ] - [ 0.0010310800000000, -0.0003100600000000, -0.0031297600000000 ] - [ 0.0000724900000000, -0.0002421600000000, -0.0018987400000000 ] - [ 0.0024743300000000, 0.0002880500000000, 0.0035576700000000 ] - [ -0.0072006200000000, 0.0014683500000000, -0.0064124500000000 ] - [ -0.0000913000000000, -0.0005800400000000, 0.0011003700000000 ] - [ 0.0001154400000000, 0.0007215200000000, 0.0013375300000000 ] - [ 0.0097097300000000, -0.0001765300000000, 0.0224764300000000 ] - [ 0.1219590200000000, 0.0104125700000000, -0.1359158100000000 ] - [ -0.0004784700000000, -0.0001187300000000, -0.0003797200000000 ] - [ 0.0026744000000000, 0.0020770100000000, -0.0013419800000000 ] - [ 0.0003617300000000, 0.0001866900000000, 0.0008451300000000 ] - [ -0.0036771900000000, 0.0012719700000000, -0.0020172400000000 ] - [ -0.0000991400000000, 0.0001410800000000, 0.0010868400000000 ] - [ 0.0002352200000000, 0.0001731700000000, 0.0004789500000000 ] - [ -0.0001278700000000, 0.0002944900000000, 0.0012086700000000 ] - [ -0.0002341300000000, -0.0005014900000000, 0.0010625000000000 ] - [ 0.0004329700000000, -0.0000350100000000, 0.0016220700000000 ] - [ -0.0002676200000000, -0.0009717700000000, 0.0014362100000000 ] - [ -0.0160866800000000, -0.0095700100000000, 0.0125831100000000 ] - [ -0.0002907100000000, 0.0002248600000000, 0.0007081700000000 ] - [ -0.0021422500000000, 0.0003663000000000, 0.0007453000000000 ] - [ -0.0004555900000000, 0.0009681300000000, -0.0022902400000000 ] - [ 0.0039036200000000, -0.0023963900000000, -0.0011836100000000 ] - [ 0.0005009400000000, -0.0006613100000000, 0.0021091400000000 ] - [ -0.0004420200000000, 0.0006426400000000, 0.0015343800000000 ] - [ 0.0003372500000000, 0.0002247500000000, 0.0003044900000000 ] - [ 0.0007028100000000, 0.0001623700000000, 0.0004941100000000 ] - [ -0.0003844700000000, -0.0048178600000000, -0.0036837100000000 ] - [ -0.0009918300000000, 0.0001549500000000, 0.0010891600000000 ] - [ 0.0028417700000000, -0.0014769600000000, 0.0006490500000000 ] - [ -0.0004963600000000, 0.0000844200000000, 0.0011078500000000 ] - [ -0.0000947700000000, -0.0002769400000000, 0.0007983200000000 ] - [ -0.0020354000000000, -0.0006040000000000, -0.0020212500000000 ] - [ -0.0002434900000000, 0.0004721100000000, 0.0009206900000000 ] - [ -0.0001416300000000, -0.0008931300000000, 0.0014417300000000 ] - [ 0.0003391300000000, 0.0001369700000000, 0.0002905100000000 ] - [ -0.0005855700000000, -0.0002547300000000, 0.0010512600000000 ] - [ -0.0036238500000000, -0.0003971200000000, -0.0095788700000000 ] - [ 0.0000862000000000, -0.0001274500000000, 0.0010087200000000 ] - [ -0.0000094600000000, -0.0006605800000000, 0.0006107400000000 ] - [ -0.0105100700000000, 0.0129642700000000, 0.0036629800000000 ] - [ 0.0000595400000000, -0.0002635100000000, 0.0011026900000000 ] - [ -0.0002818700000000, -0.0000631900000000, -0.0018692400000000 ] - [ 0.0017150100000000, 0.0013720800000000, 0.0034876600000000 ] - [ -0.0003161200000000, -0.0001044400000000, -0.0008728900000000 ] - [ -0.0004448400000000, 0.0003775000000000, 0.0009120200000000 ] - [ -0.0006921700000000, -0.0004680300000000, -0.0009960700000000 ] - [ -0.0047292500000000, -0.0016443700000000, 0.0039183900000000 ] - [ 0.0029659000000000, 0.0001672100000000, -0.0031896100000000 ] - [ 0.0039695700000000, 0.0032847900000000, 0.0041458000000000 ] - [ -0.0002833600000000, 0.0002158200000000, 0.0010008700000000 ] - [ -0.0005290900000000, -0.0001391500000000, 0.0013926000000000 ] - [ 0.0003272000000000, -0.0004811900000000, 0.0012604700000000 ] - [ 0.0002955600000000, -0.0000268400000000, -0.0005547800000000 ] - [ 0.0007855000000000, 0.0003229500000000, 0.0018933300000000 ] - [ -0.0044900600000000, -0.0013733100000000, -0.0022352800000000 ] - [ -0.0003043500000000, 0.0002863400000000, 0.0005713900000000 ] - [ 0.0003106200000000, -0.0007287000000000, 0.0005567500000000 ] - [ -0.0000113300000000, 0.0004236300000000, 0.0016154100000000 ] - [ -0.0001782500000000, 0.0001135000000000, 0.0002223700000000 ] - [ -0.0003851800000000, 0.0001758600000000, 0.0005039100000000 ] - [ -0.0003051500000000, -0.0002227900000000, 0.0012915500000000 ] - [ 0.0001986700000000, -0.0004101400000000, 0.0007235500000000 ] - [ -0.0011774400000000, 0.0008841900000000, -0.0005730600000000 ] - [ -0.0017870700000000, 0.0013764700000000, -0.0018143400000000 ] - [ 0.0009167600000000, -0.0022201300000000, 0.0026861200000000 ] - [ 0.0008723600000000, -0.0003281800000000, 0.0024690000000000 ] - [ -0.0006536000000000, -0.0028462900000000, 0.0025814200000000 ] - [ 0.0002661700000000, -0.0006587800000000, 0.0010958700000000 ] - [ 0.0020709100000000, -0.0001912400000000, -0.0004568300000000 ] - [ -0.0010854200000000, 0.0062590300000000, -0.0064126700000000 ] - [ -0.0018616400000000, 0.0006441800000000, -0.0025166800000000 ] - [ -0.0007981800000000, 0.0004934200000000, 0.0015401600000000 ] - [ -0.0047128700000000, 0.0014077900000000, 0.0032326400000000 ] - [ 0.0000719500000000, -0.0001400400000000, 0.0004210300000000 ] - [ 0.0011253500000000, -0.0004660700000000, 0.0002340700000000 ]- atom: 52 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ 0.0002444400000000, -0.0001839400000000, 0.0016680700000000 ] - [ -0.0001849800000000, 0.0001753100000000, 0.0021774400000000 ] - [ 0.0000594000000000, -0.0006852500000000, 0.0010628400000000 ] - [ -0.0003367000000000, -0.0003128900000000, 0.0011130200000000 ] - [ -0.0025174800000000, 0.0006332000000000, 0.0012985000000000 ] - [ -0.0003923100000000, -0.0007378100000000, 0.0016732300000000 ] - [ -0.0004626000000000, -0.0005683000000000, 0.0013031100000000 ] - [ -0.0002158400000000, -0.0006890200000000, 0.0019709900000000 ] - [ -0.0091294800000000, 0.0061423300000000, -0.0211578700000000 ] - [ 0.0005382800000000, 0.0030679300000000, -0.0022995100000000 ] - [ 0.0004103700000000, 0.0000328800000000, 0.0024391300000000 ] - [ 0.0009380600000000, -0.0007815000000000, -0.0003256100000000 ] - [ -0.0025501900000000, 0.0012645500000000, -0.0025152700000000 ] - [ -0.0000159600000000, -0.0009519000000000, 0.0012939400000000 ] - [ 0.0001061900000000, -0.0004685700000000, 0.0009080900000000 ] - [ 0.0009886700000000, -0.0012417800000000, 0.0015247000000000 ] - [ -0.0051555200000000, -0.0004089800000000, 0.0020315400000000 ] - [ 0.0012834400000000, 0.0010813300000000, -0.0016940500000000 ] - [ -0.0026187200000000, -0.0008094600000000, -0.0022383900000000 ] - [ 0.0019745600000000, 0.0031732400000000, 0.0024600600000000 ] - [ -0.0002671700000000, -0.0005251100000000, 0.0007470100000000 ] - [ 0.0000070500000000, -0.0007535100000000, 0.0011162000000000 ] - [ 0.0002814100000000, -0.0004453200000000, 0.0014580600000000 ] - [ -0.0002528600000000, 0.0002973400000000, 0.0012535100000000 ] - [ 0.0032649600000000, -0.0046132200000000, 0.0023052900000000 ] - [ 0.0004960200000000, 0.0004033200000000, -0.0003254700000000 ] - [ -0.0000838600000000, 0.0003328400000000, 0.0012244500000000 ] - [ 0.0004437000000000, 0.0001537300000000, 0.0020046900000000 ] - [ 0.0039041400000000, 0.0065904200000000, -0.0097658100000000 ] - [ 0.0006580500000000, -0.0021759600000000, -0.0034347400000000 ] - [ 0.0005139300000000, 0.0023560800000000, -0.0037843700000000 ] - [ 0.0015689400000000, 0.0038606100000000, -0.0061472600000000 ] - [ 0.0004505900000000, -0.0002863300000000, 0.0027264400000000 ] - [ -0.0017486000000000, -0.0005108300000000, 0.0027625200000000 ] - [ 0.0006234100000000, 0.0001273600000000, 0.0024809700000000 ] - [ 0.0004205300000000, -0.0005255800000000, 0.0001930100000000 ] - [ -0.0008192800000000, 0.0009532900000000, 0.0011675200000000 ] - [ -0.0022767500000000, 0.0010103900000000, 0.0042827000000000 ] - [ -0.0056474100000000, 0.0010200700000000, -0.0037317800000000 ] - [ -0.0004240300000000, -0.0004780500000000, 0.0022177900000000 ] - [ 0.1045973400000000, -0.0026896500000000, -0.0714946700000000 ] - [ 0.0005700400000000, 0.0009230700000000, 0.0028790900000000 ] - [ 0.0026279700000000, 0.0000132600000000, -0.0089396500000000 ] - [ -0.0016556600000000, -0.0001820900000000, 0.0011455500000000 ] - [ 0.0009065000000000, -0.0003363300000000, 0.0032959100000000 ] - [ 0.0001082100000000, -0.0000703000000000, 0.0008976600000000 ] - [ -0.0016605100000000, 0.0005164100000000, -0.0029295500000000 ] - [ 0.0073782200000000, -0.0011486900000000, 0.0054295000000000 ] - [ -0.0004482400000000, 0.0001048900000000, -0.0010961600000000 ] - [ 0.0010818000000000, -0.0008180300000000, -0.0019279500000000 ] - [ -0.0088856100000000, 0.0003611200000000, -0.0211092100000000 ] - [ -0.1277134700000000, -0.0102788700000000, 0.1369042600000000 ] - [ -0.0002457200000000, -0.0000489100000000, -0.0007200100000000 ] - [ -0.0025431700000000, -0.0016429700000000, 0.0010739000000000 ] - [ 0.0001118200000000, -0.0003412900000000, -0.0010346400000000 ] - [ 0.0040742400000000, 0.0000286300000000, 0.0029558000000000 ] - [ 0.0000405300000000, -0.0007174200000000, -0.0013087000000000 ] - [ 0.0009635300000000, -0.0000681700000000, -0.0010696500000000 ] - [ 0.0003254300000000, 0.0002126000000000, -0.0011927700000000 ] - [ -0.0007639900000000, -0.0001302300000000, -0.0010844900000000 ] - [ 0.0002909400000000, -0.0001329600000000, -0.0005265600000000 ] - [ -0.0002429300000000, -0.0007689600000000, -0.0005188600000000 ] - [ 0.0158020100000000, 0.0099435200000000, -0.0133015400000000 ] - [ 0.0004851600000000, 0.0003024300000000, -0.0008406200000000 ] - [ 0.0016247600000000, 0.0001915800000000, -0.0008967600000000 ] - [ 0.0012708300000000, -0.0013368900000000, 0.0040422700000000 ] - [ -0.0037996200000000, 0.0028998200000000, 0.0014533200000000 ] - [ -0.0001282000000000, -0.0006460900000000, -0.0011910100000000 ] - [ -0.0000002000000000, -0.0002645700000000, -0.0026126700000000 ] - [ -0.0010638800000000, -0.0000537800000000, -0.0013987400000000 ] - [ 0.0002990800000000, 0.0004676200000000, -0.0004676800000000 ] - [ 0.0010872900000000, 0.0048806800000000, 0.0040445000000000 ] - [ 0.0015075400000000, 0.0004052000000000, -0.0009403600000000 ] - [ -0.0029817500000000, 0.0019865800000000, -0.0009306900000000 ] - [ 0.0000415900000000, 0.0005130700000000, -0.0009883100000000 ] - [ 0.0002567100000000, -0.0001836000000000, -0.0010579700000000 ] - [ 0.0018674600000000, 0.0010141100000000, 0.0011192400000000 ] - [ 0.0006983900000000, 0.0001260600000000, -0.0010401600000000 ] - [ 0.0001989400000000, 0.0003149500000000, -0.0012191300000000 ] - [ 0.0002009800000000, 0.0003369900000000, -0.0002925500000000 ] - [ 0.0000719300000000, -0.0003036000000000, -0.0012034500000000 ] - [ 0.0027805800000000, 0.0000398300000000, 0.0079253000000000 ] - [ -0.0002461900000000, -0.0003338100000000, -0.0007505800000000 ] - [ -0.0001479700000000, 0.0002480000000000, -0.0015164500000000 ] - [ 0.0102001400000000, -0.0114855300000000, -0.0027882000000000 ] - [ 0.0000709400000000, -0.0002340800000000, -0.0008288600000000 ] - [ 0.0007411800000000, -0.0005395600000000, 0.0017613800000000 ] - [ -0.0011676500000000, -0.0018363500000000, -0.0034725200000000 ] - [ -0.0002258600000000, 0.0005783100000000, 0.0008723900000000 ] - [ -0.0002517200000000, -0.0004325700000000, -0.0012668600000000 ] - [ 0.0007584000000000, 0.0010503200000000, 0.0012245300000000 ] - [ 0.0044889700000000, 0.0010884700000000, -0.0037444200000000 ] - [ -0.0031823800000000, -0.0006747200000000, 0.0031878100000000 ] - [ -0.0041692700000000, -0.0028313800000000, -0.0038859900000000 ] - [ 0.0000859100000000, 0.0002910500000000, -0.0010188500000000 ] - [ 0.0000826100000000, -0.0002443100000000, -0.0024598000000000 ] - [ 0.0003698700000000, 0.0004265100000000, -0.0009071400000000 ] - [ 0.0001766900000000, 0.0001854700000000, 0.0003580600000000 ] - [ 0.0000290000000000, 0.0000439600000000, -0.0001496000000000 ] - [ 0.0040785000000000, 0.0007810900000000, 0.0023442300000000 ] - [ 0.0007489800000000, 0.0000995900000000, 0.0004929300000000 ] - [ 0.0001996500000000, -0.0010106300000000, -0.0014753100000000 ] - [ 0.0001669200000000, -0.0008356800000000, -0.0007105000000000 ] - [ -0.0006366600000000, 0.0002528600000000, -0.0019684100000000 ] - [ -0.0000880800000000, -0.0000163700000000, -0.0003105000000000 ] - [ 0.0001116700000000, 0.0007535500000000, -0.0011647400000000 ] - [ -0.0003286600000000, -0.0000873200000000, -0.0009989700000000 ] - [ 0.0013398000000000, -0.0004741100000000, 0.0014835300000000 ] - [ 0.0017243700000000, -0.0007949100000000, 0.0015932600000000 ] - [ -0.0013844500000000, 0.0020469900000000, -0.0024821700000000 ] - [ -0.0004316000000000, -0.0000524700000000, -0.0014075200000000 ] - [ 0.0008502600000000, 0.0023354400000000, -0.0027332100000000 ] - [ -0.0006401500000000, -0.0006490800000000, -0.0020149100000000 ] - [ -0.0030560900000000, 0.0008174600000000, 0.0004302800000000 ] - [ 0.0016288200000000, -0.0046094700000000, 0.0054857200000000 ] - [ 0.0014989000000000, 0.0006632700000000, 0.0016027700000000 ] - [ -0.0003998600000000, -0.0003930200000000, -0.0009550800000000 ] - [ 0.0034766300000000, -0.0014865200000000, -0.0026076900000000 ] - [ 0.0004431900000000, -0.0004166700000000, -0.0002760700000000 ] - [ -0.0001281200000000, -0.0001657200000000, -0.0002190200000000 ]- atom: 54 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ 0.0001054100000000, -0.0002383700000000, 0.0000765000000000 ] - [ 0.0002883900000000, -0.0006141700000000, 0.0010155900000000 ] - [ 0.0002200700000000, -0.0004892400000000, -0.0001779300000000 ] - [ -0.0004486700000000, -0.0004420600000000, -0.0002133400000000 ] - [ 0.0004597600000000, -0.0000105600000000, 0.0011724100000000 ] - [ -0.0006854700000000, -0.0005655500000000, 0.0003714500000000 ] - [ -0.0011690600000000, -0.0010446500000000, 0.0001106200000000 ] - [ 0.0002206700000000, -0.0001236400000000, 0.0006461500000000 ] - [ -0.0005545400000000, -0.0014214000000000, -0.0016691200000000 ] - [ 0.0488481000000000, 0.0319000600000000, -0.0058457900000000 ] - [ -0.0000636800000000, 0.0003507400000000, 0.0001181100000000 ] - [ -0.0012065400000000, 0.0001680300000000, 0.0000945600000000 ] - [ -0.0055323900000000, 0.0013167500000000, 0.0006995700000000 ] - [ -0.0000363200000000, -0.0008921000000000, -0.0000674100000000 ] - [ 0.0000331800000000, -0.0003143100000000, -0.0002323900000000 ] - [ 0.0012923000000000, -0.0013395800000000, -0.0005029100000000 ] - [ 0.0003806900000000, 0.0006603500000000, 0.0010212800000000 ] - [ -0.0016326000000000, 0.0007243900000000, 0.0002945400000000 ] - [ -0.0026266200000000, -0.0000782800000000, -0.0003201700000000 ] - [ 0.0010387100000000, 0.0006381900000000, -0.0001609300000000 ] - [ -0.0000644400000000, -0.0005924600000000, -0.0003843600000000 ] - [ -0.0000693700000000, -0.0007758000000000, 0.0000033700000000 ] - [ 0.0000495800000000, -0.0003692700000000, -0.0001315500000000 ] - [ -0.0001089800000000, 0.0001715700000000, -0.0000440000000000 ] - [ 0.0009502500000000, -0.0001658600000000, -0.0003798600000000 ] - [ 0.0067111600000000, -0.0020870100000000, -0.0043382500000000 ] - [ -0.0008239200000000, 0.0006979100000000, -0.0001025400000000 ] - [ 0.0003627400000000, -0.0000623100000000, 0.0003104400000000 ] - [ 0.0018012000000000, 0.0003325300000000, -0.0000760700000000 ] - [ 0.0461528600000000, -0.0173449000000000, -0.0047124200000000 ] - [ -0.0000653800000000, 0.0008195100000000, -0.0014141100000000 ] - [ 0.0082584900000000, 0.0000052400000000, -0.0002258400000000 ] - [ 0.0006124400000000, -0.0003327500000000, 0.0007967500000000 ] - [ -0.0006388200000000, 0.0003025800000000, 0.0004839000000000 ] - [ -0.0002445200000000, 0.0001851700000000, 0.0002077200000000 ] - [ -0.0011840200000000, -0.0069298000000000, -0.0055145100000000 ] - [ -0.0008176600000000, 0.0008620600000000, -0.0010170400000000 ] - [ -0.0010242100000000, -0.0017634200000000, 0.0021968700000000 ] - [ -0.0030114100000000, 0.0010497400000000, 0.0006238000000000 ] - [ -0.0001934300000000, -0.0003998900000000, -0.0000154900000000 ] - [ 0.0086163900000000, -0.0009257100000000, 0.0036657200000000 ] - [ 0.0005834900000000, 0.0009144800000000, 0.0010760200000000 ] - [ -0.0036646700000000, 0.0072074400000000, -0.0081251800000000 ] - [ -0.0074727000000000, 0.0003013500000000, 0.0003030900000000 ] - [ 0.0013456100000000, -0.0003103500000000, 0.0004419800000000 ] - [ -0.0003127400000000, -0.0001521800000000, -0.0000783200000000 ] - [ -0.0102014000000000, -0.0002595600000000, 0.0019056700000000 ] - [ 0.0046882300000000, 0.0002654300000000, 0.0017372300000000 ] - [ -0.0002488800000000, -0.0002823100000000, 0.0000713600000000 ] - [ 0.0002686800000000, -0.0001538200000000, -0.0005974500000000 ] - [ -0.0012464700000000, 0.0059548100000000, -0.0027859400000000 ] - [ -0.0021949700000000, 0.0027613400000000, 0.0017657900000000 ] - [ 0.0012852700000000, 0.0008192100000000, 0.0018622300000000 ] - [ -0.1384484300000000, -0.0196477400000000, 0.0186450800000000 ] - [ 0.0002424300000000, -0.0000377500000000, 0.0000095700000000 ] - [ 0.0005514000000000, 0.0005548600000000, -0.0001010000000000 ] - [ -0.0000758500000000, -0.0003125700000000, -0.0002163200000000 ] - [ 0.0021675400000000, 0.0005425700000000, -0.0010007100000000 ] - [ 0.0002603800000000, 0.0002624700000000, -0.0001081200000000 ] - [ -0.0001447000000000, -0.0002409000000000, -0.0000610600000000 ] - [ 0.0003434100000000, -0.0001028600000000, 0.0003016700000000 ] - [ -0.0001465700000000, -0.0008537200000000, 0.0002517500000000 ] - [ -0.0018370200000000, 0.0001153600000000, -0.0008527800000000 ] - [ 0.0017500800000000, -0.0004077900000000, -0.0007884500000000 ] - [ 0.0015841300000000, 0.0004471100000000, -0.0006523900000000 ] - [ 0.0020927600000000, -0.0017371000000000, 0.0027909800000000 ] - [ -0.0061716600000000, 0.0022862600000000, 0.0019214800000000 ] - [ 0.0000715100000000, -0.0006538800000000, 0.0001504700000000 ] - [ -0.0004067400000000, 0.0001877500000000, -0.0008708600000000 ] - [ -0.0003813400000000, 0.0000775100000000, -0.0000459200000000 ] - [ 0.0007266400000000, 0.0003179600000000, 0.0001536800000000 ] - [ 0.0020706200000000, -0.0024147200000000, 0.0013057600000000 ] - [ 0.0002832200000000, 0.0002675200000000, -0.0001666700000000 ] - [ -0.0002266800000000, 0.0005068000000000, 0.0010379400000000 ] - [ -0.0004044800000000, 0.0003241200000000, 0.0000206700000000 ] - [ 0.0002037600000000, -0.0002237600000000, -0.0001863700000000 ] - [ 0.0006841700000000, -0.0002832800000000, -0.0004584800000000 ] - [ 0.0003155700000000, 0.0002792200000000, -0.0002123000000000 ] - [ -0.0001875500000000, -0.0002113400000000, -0.0001560300000000 ] - [ 0.0005509100000000, 0.0004468700000000, -0.0004189100000000 ] - [ -0.0005021600000000, -0.0002517400000000, -0.0000395100000000 ] - [ -0.0025032000000000, -0.0100197000000000, -0.0051641200000000 ] - [ -0.0000639800000000, -0.0003942300000000, 0.0002621000000000 ] - [ -0.0001410300000000, -0.0001719000000000, -0.0005614400000000 ] - [ -0.0020110000000000, 0.0001648700000000, -0.0006400300000000 ] - [ 0.0001734800000000, -0.0002435200000000, 0.0000554900000000 ] - [ 0.0149053100000000, 0.0068280400000000, -0.0126158200000000 ] - [ -0.0006079700000000, -0.0003553300000000, -0.0004682800000000 ] - [ 0.0101100300000000, 0.0038552200000000, 0.0075846000000000 ] - [ -0.0001830100000000, -0.0001363000000000, -0.0004074500000000 ] - [ 0.0028251000000000, -0.0008290300000000, -0.0016663400000000 ] - [ 0.0007677300000000, 0.0001926500000000, -0.0001753600000000 ] - [ -0.0021370100000000, -0.0020754400000000, 0.0035242000000000 ] - [ -0.0002260900000000, 0.0001603800000000, 0.0004612500000000 ] - [ 0.0000505600000000, 0.0002179400000000, 0.0002593400000000 ] - [ -0.0000656700000000, 0.0000622600000000, -0.0012417800000000 ] - [ 0.0003510500000000, -0.0000699200000000, 0.0002355500000000 ] - [ 0.0008759400000000, 0.0018205500000000, 0.0001225900000000 ] - [ 0.0003479800000000, 0.0000994200000000, 0.0012327800000000 ] - [ 0.0013986900000000, -0.0000097700000000, -0.0001336900000000 ] - [ 0.0030150300000000, 0.0004063200000000, 0.0012236000000000 ] - [ 0.0002457800000000, -0.0008407400000000, -0.0004201200000000 ] - [ -0.0000895500000000, -0.0002673400000000, 0.0001754000000000 ] - [ -0.0003886700000000, 0.0001938200000000, -0.0010022200000000 ] - [ 0.0000133200000000, -0.0001724800000000, -0.0003391700000000 ] - [ -0.0001826400000000, 0.0002881300000000, -0.0000408000000000 ] - [ -0.0000547700000000, 0.0001165900000000, 0.0001368400000000 ] - [ 0.0027828100000000, 0.0023020000000000, -0.0011755200000000 ] - [ 0.0011137000000000, 0.0001767100000000, -0.0002004500000000 ] - [ -0.0012949800000000, 0.0006722600000000, -0.0007647000000000 ] - [ 0.0000091100000000, -0.0001913700000000, 0.0003238000000000 ] - [ -0.0002710500000000, -0.0001756900000000, -0.0003655100000000 ] - [ -0.0003514600000000, -0.0006521900000000, -0.0006306800000000 ] - [ -0.0020019400000000, -0.0000396700000000, 0.0008688600000000 ] - [ 0.0101780800000000, -0.0013110400000000, 0.0096191800000000 ] - [ 0.0035008100000000, 0.0006809700000000, 0.0002495300000000 ] - [ -0.0006896100000000, 0.0000367000000000, 0.0001968500000000 ] - [ 0.0019377400000000, 0.0027822800000000, -0.0008064500000000 ] - [ 0.0059319300000000, -0.0016608500000000, -0.0054041700000000 ] - [ 0.0007343000000000, 0.0013945400000000, 0.0034991700000000 ]- atom: 54 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ -0.0002501700000000, -0.0002594900000000, -0.0001410500000000 ] - [ -0.0000770800000000, -0.0000977100000000, -0.0005292700000000 ] - [ 0.0003100800000000, -0.0004693800000000, -0.0004060500000000 ] - [ -0.0002773000000000, -0.0004014100000000, -0.0003795800000000 ] - [ -0.0002297500000000, 0.0007195500000000, -0.0006689100000000 ] - [ 0.0004037900000000, -0.0006248100000000, 0.0006317200000000 ] - [ 0.0006347800000000, 0.0000849900000000, 0.0004668700000000 ] - [ -0.0000748300000000, -0.0003747900000000, -0.0005643600000000 ] - [ 0.0003241800000000, 0.0030739300000000, 0.0018288600000000 ] - [ -0.0510895600000000, -0.0344759300000000, 0.0057402900000000 ] - [ -0.0002273400000000, 0.0008411500000000, 0.0008847200000000 ] - [ 0.0019296200000000, 0.0006754500000000, 0.0005057600000000 ] - [ 0.0053194100000000, -0.0005960900000000, -0.0011754600000000 ] - [ -0.0001837600000000, -0.0007489200000000, 0.0002278900000000 ] - [ 0.0002058500000000, -0.0003164100000000, -0.0004000200000000 ] - [ -0.0005644900000000, 0.0004949500000000, 0.0011040600000000 ] - [ -0.0002310600000000, -0.0001576900000000, -0.0009548300000000 ] - [ 0.0013878300000000, -0.0000981400000000, 0.0003411900000000 ] - [ 0.0024785000000000, 0.0005675900000000, 0.0002373700000000 ] - [ -0.0008996300000000, -0.0009391100000000, 0.0004599400000000 ] - [ 0.0003543800000000, -0.0005976300000000, -0.0006175100000000 ] - [ 0.0002895800000000, -0.0008629900000000, -0.0001621200000000 ] - [ -0.0002728500000000, -0.0003439600000000, -0.0003690000000000 ] - [ -0.0000311400000000, 0.0001319400000000, -0.0002619000000000 ] - [ -0.0014824000000000, 0.0011210400000000, 0.0009562600000000 ] - [ -0.0063202400000000, 0.0030677700000000, 0.0030724700000000 ] - [ 0.0009685100000000, -0.0003946100000000, 0.0004115900000000 ] - [ -0.0006001500000000, -0.0005686000000000, 0.0003260600000000 ] - [ -0.0013045300000000, 0.0006202700000000, -0.0005124700000000 ] - [ -0.0429603600000000, 0.0164751300000000, 0.0035075100000000 ] - [ -0.0006251400000000, 0.0000286900000000, 0.0008260200000000 ] - [ -0.0080184400000000, 0.0016507400000000, 0.0000482000000000 ] - [ 0.0002206400000000, -0.0004740800000000, -0.0001512700000000 ] - [ -0.0012942600000000, 0.0003442600000000, -0.0006391500000000 ] - [ 0.0000556500000000, 0.0001275500000000, 0.0007901800000000 ] - [ 0.0010319800000000, 0.0065677200000000, 0.0064626400000000 ] - [ -0.0008278500000000, 0.0009979200000000, -0.0006159000000000 ] - [ 0.0029452300000000, 0.0024279300000000, -0.0020498700000000 ] - [ 0.0021913600000000, -0.0002523600000000, -0.0012782400000000 ] - [ -0.0006397200000000, -0.0004059000000000, -0.0006248100000000 ] - [ -0.0069706300000000, -0.0009352000000000, -0.0020571800000000 ] - [ 0.0010640300000000, 0.0009463500000000, 0.0005577200000000 ] - [ 0.0020016800000000, -0.0091038700000000, 0.0065636000000000 ] - [ 0.0055190700000000, -0.0009543000000000, -0.0004809300000000 ] - [ 0.0005917000000000, -0.0003366000000000, -0.0002858400000000 ] - [ 0.0004961600000000, -0.0001614600000000, -0.0009173700000000 ] - [ 0.0110117000000000, 0.0010759600000000, -0.0012733600000000 ] - [ -0.0044937000000000, 0.0000514400000000, -0.0027071500000000 ] - [ -0.0002893100000000, -0.0001927700000000, -0.0000633300000000 ] - [ 0.0009275900000000, 0.0000513900000000, 0.0000044600000000 ] - [ 0.0019717000000000, -0.0057961600000000, 0.0038655800000000 ] - [ 0.0023989100000000, -0.0032781800000000, -0.0017431900000000 ] - [ -0.0020103500000000, -0.0009786200000000, -0.0029467100000000 ] - [ 0.1375883700000000, 0.0241923000000000, -0.0181002600000000 ] - [ 0.0002327400000000, -0.0001170600000000, -0.0001981100000000 ] - [ -0.0001827900000000, 0.0007551300000000, 0.0010277800000000 ] - [ 0.0000174000000000, -0.0002659800000000, -0.0000117100000000 ] - [ -0.0009688800000000, -0.0004393900000000, 0.0004097200000000 ] - [ -0.0000592900000000, 0.0002431400000000, 0.0001205100000000 ] - [ -0.0008593700000000, -0.0003922500000000, 0.0000343300000000 ] - [ 0.0003777000000000, -0.0000671400000000, 0.0007966500000000 ] - [ -0.0003622100000000, -0.0008909800000000, 0.0006678300000000 ] - [ 0.0011421600000000, -0.0000694000000000, 0.0005104500000000 ] - [ -0.0015500400000000, 0.0009383900000000, 0.0006543600000000 ] - [ -0.0020943000000000, 0.0001050500000000, 0.0005065100000000 ] - [ -0.0012715100000000, 0.0013772700000000, -0.0010506800000000 ] - [ 0.0062627400000000, -0.0019132400000000, -0.0016570900000000 ] - [ 0.0003042000000000, -0.0006566400000000, 0.0007779900000000 ] - [ -0.0000433500000000, 0.0001968500000000, -0.0002037200000000 ] - [ -0.0003396600000000, 0.0000921900000000, -0.0010509700000000 ] - [ 0.0002801700000000, 0.0003161200000000, -0.0001315400000000 ] - [ -0.0013868700000000, 0.0024989300000000, -0.0009661700000000 ] - [ 0.0002154800000000, 0.0002905700000000, 0.0003187100000000 ] - [ 0.0001010700000000, -0.0000109400000000, -0.0013159700000000 ] - [ -0.0000552300000000, 0.0002726900000000, 0.0001012400000000 ] - [ -0.0000441300000000, -0.0002368800000000, -0.0000740200000000 ] - [ -0.0008888400000000, 0.0007037000000000, -0.0004383600000000 ] - [ 0.0001452900000000, 0.0003165500000000, 0.0000883200000000 ] - [ 0.0002449100000000, -0.0003671900000000, 0.0003833200000000 ] - [ -0.0000123800000000, 0.0000310800000000, 0.0004071200000000 ] - [ 0.0000013100000000, -0.0003064500000000, -0.0001135900000000 ] - [ 0.0016786000000000, 0.0096043900000000, 0.0034210900000000 ] - [ -0.0000989900000000, -0.0000663800000000, -0.0000004900000000 ] - [ -0.0000146100000000, -0.0002357500000000, -0.0003512500000000 ] - [ 0.0015009600000000, 0.0015722400000000, 0.0015659300000000 ] - [ -0.0000409000000000, -0.0002537800000000, 0.0002168200000000 ] - [ -0.0143379200000000, -0.0073325500000000, 0.0123163600000000 ] - [ 0.0011498800000000, -0.0001225200000000, 0.0004512500000000 ] - [ -0.0105195800000000, -0.0033558500000000, -0.0074720400000000 ] - [ -0.0005104900000000, 0.0000877600000000, 0.0000562600000000 ] - [ -0.0027564000000000, 0.0013961900000000, 0.0018839000000000 ] - [ -0.0009553200000000, -0.0007241800000000, 0.0003110300000000 ] - [ 0.0019910200000000, 0.0015750200000000, -0.0035094900000000 ] - [ 0.0000703300000000, 0.0003011500000000, -0.0001995100000000 ] - [ -0.0002520600000000, 0.0002878700000000, -0.0002708200000000 ] - [ -0.0003773100000000, -0.0004505800000000, 0.0001698800000000 ] - [ 0.0003427400000000, 0.0000221600000000, 0.0001145700000000 ] - [ -0.0004107500000000, -0.0016519200000000, -0.0003089400000000 ] - [ 0.0004661200000000, 0.0002672400000000, 0.0005147200000000 ] - [ -0.0018623300000000, -0.0005824900000000, 0.0002615800000000 ] - [ -0.0025602700000000, -0.0000155300000000, -0.0001387400000000 ] - [ 0.0002621800000000, -0.0009027700000000, -0.0004991900000000 ] - [ 0.0002481300000000, -0.0001417900000000, 0.0007354300000000 ] - [ -0.0004256000000000, 0.0001742000000000, -0.0007457400000000 ] - [ -0.0004896500000000, 0.0003253600000000, 0.0005249800000000 ] - [ -0.0000119000000000, 0.0002406300000000, 0.0001761300000000 ] - [ -0.0000806500000000, -0.0006144400000000, -0.0004099600000000 ] - [ -0.0026107500000000, -0.0018716900000000, 0.0020737200000000 ] - [ -0.0011776500000000, 0.0004060000000000, -0.0000271100000000 ] - [ 0.0008201700000000, -0.0008270300000000, 0.0009456300000000 ] - [ 0.0004403100000000, -0.0001916000000000, 0.0007521300000000 ] - [ 0.0004638800000000, -0.0003544200000000, 0.0002303100000000 ] - [ -0.0000232400000000, -0.0006555900000000, -0.0002955300000000 ] - [ 0.0009877200000000, 0.0006679000000000, -0.0009016800000000 ] - [ -0.0097708700000000, 0.0030432200000000, -0.0106556800000000 ] - [ -0.0038679500000000, 0.0006293400000000, -0.0011722200000000 ] - [ -0.0005086200000000, 0.0000662000000000, 0.0003951100000000 ] - [ -0.0031658200000000, -0.0029340200000000, 0.0014138000000000 ] - [ -0.0054068500000000, 0.0011043000000000, 0.0055762300000000 ] - [ 0.0002318400000000, -0.0020292600000000, -0.0034852200000000 ]- atom: 54 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000813300000000, -0.0001960000000000, -0.0000664100000000 ] - [ -0.0003189400000000, 0.0003377200000000, 0.0005025100000000 ] - [ 0.0002800700000000, -0.0004281300000000, -0.0003619200000000 ] - [ -0.0003727600000000, -0.0003775900000000, -0.0003394100000000 ] - [ 0.0001745100000000, -0.0000998400000000, 0.0001527200000000 ] - [ 0.0000709300000000, -0.0008197500000000, 0.0010327900000000 ] - [ -0.0001500500000000, -0.0006607900000000, 0.0000269800000000 ] - [ -0.0001817800000000, -0.0008605000000000, 0.0002033000000000 ] - [ -0.0012116500000000, 0.0007506700000000, -0.0013042500000000 ] - [ 0.0341235300000000, 0.0323079700000000, -0.0037381900000000 ] - [ -0.0002126500000000, 0.0005720600000000, 0.0002545300000000 ] - [ 0.0000343000000000, 0.0007280000000000, 0.0003767100000000 ] - [ -0.0004207200000000, 0.0013562000000000, -0.0001555900000000 ] - [ -0.0000484200000000, -0.0009180800000000, 0.0000660800000000 ] - [ 0.0001172800000000, -0.0003466700000000, -0.0003186400000000 ] - [ 0.0007671900000000, -0.0015622400000000, -0.0006036200000000 ] - [ 0.0005929600000000, 0.0008196000000000, -0.0002733000000000 ] - [ -0.0002411100000000, -0.0001391700000000, 0.0004088700000000 ] - [ 0.0000422300000000, -0.0004470100000000, -0.0000349100000000 ] - [ -0.0001155700000000, -0.0013655200000000, 0.0006389800000000 ] - [ 0.0001697400000000, -0.0005956900000000, -0.0005179800000000 ] - [ 0.0000821200000000, -0.0008074800000000, -0.0001523000000000 ] - [ -0.0001400600000000, -0.0004100500000000, -0.0002802600000000 ] - [ -0.0000569600000000, 0.0001143900000000, -0.0002276500000000 ] - [ -0.0006838200000000, 0.0022943800000000, 0.0003676300000000 ] - [ -0.0049784400000000, 0.0315757700000000, 0.0349464800000000 ] - [ 0.0002229700000000, 0.0004176600000000, -0.0000370000000000 ] - [ 0.0001659600000000, 0.0001326900000000, 0.0006600500000000 ] - [ 0.0041378300000000, -0.0057155700000000, -0.0000770800000000 ] - [ -0.0132389100000000, 0.0130088400000000, -0.0000303300000000 ] - [ -0.0042124800000000, -0.0051853900000000, 0.0002434500000000 ] - [ -0.0004787900000000, 0.0068759500000000, -0.0002088300000000 ] - [ 0.0004506000000000, -0.0003203600000000, 0.0001002300000000 ] - [ -0.0010198700000000, 0.0004005400000000, -0.0000381300000000 ] - [ 0.0000847400000000, 0.0002434600000000, 0.0006448800000000 ] - [ -0.0038320600000000, 0.0025327200000000, 0.0018028600000000 ] - [ -0.0008853700000000, 0.0008470400000000, -0.0010463600000000 ] - [ -0.0005238800000000, -0.0009221400000000, 0.0010628500000000 ] - [ 0.0010281200000000, -0.0003508200000000, -0.0005690600000000 ] - [ -0.0004058200000000, -0.0004226700000000, -0.0001953400000000 ] - [ -0.0000283000000000, -0.0065254500000000, -0.0062709400000000 ] - [ 0.0007864900000000, 0.0009756200000000, 0.0007941900000000 ] - [ 0.0037926600000000, 0.0049933500000000, -0.0004789100000000 ] - [ 0.0024152800000000, -0.0001130600000000, 0.0001524500000000 ] - [ 0.0009842700000000, -0.0003405200000000, -0.0001889700000000 ] - [ 0.0000720500000000, -0.0000677900000000, -0.0006331300000000 ] - [ -0.0018436700000000, -0.0007489300000000, 0.0008690900000000 ] - [ 0.0035366800000000, -0.0026684400000000, 0.0053470900000000 ] - [ -0.0002981400000000, -0.0001659200000000, -0.0000918200000000 ] - [ 0.0006020500000000, 0.0000712300000000, -0.0002899500000000 ] - [ -0.0000304200000000, 0.0117673600000000, -0.0058445200000000 ] - [ 0.0012685200000000, 0.0052118100000000, 0.0026754800000000 ] - [ 0.0002850800000000, -0.0004916300000000, -0.0005182200000000 ] - [ -0.0210969100000000, -0.1256622900000000, -0.0354845300000000 ] - [ 0.0002194100000000, -0.0001926800000000, -0.0001426200000000 ] - [ -0.0003489800000000, 0.0008309200000000, 0.0011545200000000 ] - [ -0.0000181300000000, -0.0003203200000000, -0.0001304500000000 ] - [ 0.0000052200000000, -0.0007197800000000, 0.0000685200000000 ] - [ 0.0000723000000000, 0.0002591800000000, 0.0000436800000000 ] - [ -0.0004509900000000, -0.0003385700000000, 0.0000699800000000 ] - [ 0.0003557800000000, -0.0001062000000000, 0.0005963600000000 ] - [ -0.0002413800000000, -0.0009376900000000, 0.0005267500000000 ] - [ -0.0004003700000000, 0.0002601100000000, 0.0017063700000000 ] - [ -0.0005266500000000, 0.0009430300000000, 0.0003379800000000 ] - [ 0.0000231200000000, 0.0005133200000000, -0.0003592800000000 ] - [ -0.0002460900000000, -0.0010247300000000, 0.0008295900000000 ] - [ 0.0025276500000000, 0.0269783000000000, 0.0020770800000000 ] - [ 0.0002028700000000, -0.0006220300000000, 0.0002742200000000 ] - [ -0.0002273500000000, 0.0002558600000000, -0.0002779700000000 ] - [ -0.0005502600000000, 0.0000663700000000, -0.0011038300000000 ] - [ 0.0004699200000000, 0.0002874000000000, -0.0000177900000000 ] - [ -0.0021739400000000, -0.0001234400000000, -0.0012797500000000 ] - [ 0.0001928600000000, 0.0002746200000000, 0.0000910200000000 ] - [ 0.0000900100000000, -0.0000990400000000, 0.0002326500000000 ] - [ -0.0002561600000000, 0.0003327000000000, -0.0000292600000000 ] - [ 0.0000754900000000, -0.0002172500000000, -0.0001008200000000 ] - [ -0.0000754900000000, -0.0003569300000000, -0.0004725300000000 ] - [ 0.0002705800000000, 0.0002926100000000, -0.0000442100000000 ] - [ 0.0000748100000000, -0.0001066700000000, 0.0001391500000000 ] - [ 0.0002808800000000, 0.0002645100000000, 0.0000830900000000 ] - [ -0.0002996500000000, -0.0002557200000000, 0.0000368600000000 ] - [ -0.0017936700000000, 0.0139725700000000, 0.0040443200000000 ] - [ -0.0002441000000000, -0.0003397300000000, 0.0000006400000000 ] - [ -0.0000673700000000, -0.0001466500000000, -0.0004764100000000 ] - [ -0.0000058100000000, 0.0045291300000000, 0.0010297000000000 ] - [ 0.0000752200000000, -0.0002708800000000, 0.0001693600000000 ] - [ 0.0063656400000000, -0.0022860900000000, -0.0030510600000000 ] - [ 0.0000657000000000, -0.0005043500000000, -0.0013364800000000 ] - [ -0.0018096800000000, -0.0023327600000000, -0.0014901900000000 ] - [ -0.0003083900000000, 0.0000925500000000, -0.0001358200000000 ] - [ 0.0009655100000000, -0.0003659600000000, -0.0007569500000000 ] - [ 0.0004128900000000, 0.0008830900000000, 0.0002148600000000 ] - [ -0.0040953200000000, -0.0009463900000000, -0.0054968500000000 ] - [ -0.0000120600000000, 0.0007160700000000, 0.0005016700000000 ] - [ -0.0001159400000000, 0.0002585100000000, 0.0000996000000000 ] - [ 0.0002218500000000, -0.0000569700000000, -0.0012692500000000 ] - [ 0.0003639100000000, -0.0001051600000000, 0.0003057600000000 ] - [ 0.0015616300000000, -0.0001798100000000, 0.0000480600000000 ] - [ 0.0004985700000000, 0.0000801900000000, 0.0012325600000000 ] - [ -0.0000248000000000, 0.0000679400000000, 0.0001211400000000 ] - [ -0.0004891700000000, -0.0001992500000000, 0.0000720100000000 ] - [ 0.0002570600000000, -0.0007997100000000, -0.0003907300000000 ] - [ 0.0001665800000000, -0.0003964100000000, 0.0004529900000000 ] - [ -0.0003672900000000, 0.0001776500000000, -0.0008318800000000 ] - [ -0.0002492000000000, -0.0000885600000000, 0.0000489300000000 ] - [ -0.0001178000000000, 0.0001960500000000, 0.0001528500000000 ] - [ -0.0000531000000000, 0.0001835000000000, -0.0001017800000000 ] - [ 0.0002821200000000, 0.0007070000000000, 0.0002539200000000 ] - [ -0.0006078200000000, 0.0013784500000000, -0.0004377500000000 ] - [ -0.0008140100000000, 0.0021069600000000, -0.0012021200000000 ] - [ 0.0002728700000000, -0.0002064400000000, 0.0005694300000000 ] - [ 0.0000581400000000, -0.0005785900000000, 0.0000136800000000 ] - [ -0.0002134800000000, -0.0006558900000000, -0.0004286900000000 ] - [ -0.0014316200000000, 0.0021394600000000, -0.0003634600000000 ] - [ 0.0037217200000000, -0.0029415500000000, 0.0030043100000000 ] - [ 0.0005156700000000, 0.0003741800000000, -0.0002383400000000 ] - [ -0.0006192300000000, 0.0001188800000000, 0.0003812200000000 ] - [ -0.0003093200000000, 0.0004218400000000, 0.0006725300000000 ] - [ -0.0034580200000000, -0.0002980000000000, 0.0036422800000000 ] - [ 0.0031774300000000, 0.0005577300000000, 0.0037140300000000 ]- atom: 54 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000636600000000, -0.0003025400000000, 0.0000024400000000 ] - [ 0.0005404300000000, -0.0010553400000000, -0.0000157400000000 ] - [ 0.0002493200000000, -0.0005302700000000, -0.0002218100000000 ] - [ -0.0003525800000000, -0.0004653000000000, -0.0002530700000000 ] - [ 0.0000463300000000, 0.0008163000000000, 0.0003514600000000 ] - [ -0.0003698500000000, -0.0003724000000000, -0.0000344400000000 ] - [ -0.0003863400000000, -0.0002927000000000, 0.0005562300000000 ] - [ 0.0003402900000000, 0.0003657900000000, -0.0001233400000000 ] - [ 0.0010038500000000, 0.0008739600000000, 0.0014685400000000 ] - [ -0.0360813100000000, -0.0335491900000000, 0.0034949100000000 ] - [ -0.0000766400000000, 0.0006164400000000, 0.0007512800000000 ] - [ 0.0006930600000000, 0.0001130200000000, 0.0002141500000000 ] - [ 0.0002082800000000, -0.0006483300000000, -0.0003394600000000 ] - [ -0.0001737200000000, -0.0007230200000000, 0.0000943900000000 ] - [ 0.0001218200000000, -0.0002852500000000, -0.0003130900000000 ] - [ -0.0000443300000000, 0.0007278100000000, 0.0012035000000000 ] - [ -0.0004525300000000, -0.0003259700000000, 0.0003400700000000 ] - [ 0.0000058200000000, 0.0007745400000000, 0.0002239300000000 ] - [ -0.0001933900000000, 0.0009549700000000, -0.0000508700000000 ] - [ 0.0002588100000000, 0.0010705900000000, -0.0003291000000000 ] - [ 0.0001205400000000, -0.0005947900000000, -0.0004837700000000 ] - [ 0.0001399800000000, -0.0008316700000000, -0.0000053700000000 ] - [ -0.0000838800000000, -0.0003030200000000, -0.0002198000000000 ] - [ -0.0000835100000000, 0.0001885200000000, -0.0000776900000000 ] - [ 0.0001566700000000, -0.0013439400000000, 0.0002181100000000 ] - [ 0.0050030000000000, -0.0294483900000000, -0.0343197300000000 ] - [ -0.0000797700000000, -0.0001201200000000, 0.0003538200000000 ] - [ -0.0004076600000000, -0.0007680700000000, -0.0000295400000000 ] - [ -0.0035665200000000, 0.0066732300000000, -0.0005032500000000 ] - [ 0.0138735600000000, -0.0123508100000000, -0.0006877600000000 ] - [ 0.0034464500000000, 0.0060321100000000, -0.0008537900000000 ] - [ 0.0008551300000000, -0.0046155600000000, -0.0004509800000000 ] - [ 0.0003780300000000, -0.0004867600000000, 0.0005458400000000 ] - [ -0.0009211600000000, 0.0002463200000000, -0.0001165200000000 ] - [ -0.0002694000000000, 0.0000696300000000, 0.0003552500000000 ] - [ 0.0036563200000000, -0.0028050900000000, -0.0007980200000000 ] - [ -0.0007637700000000, 0.0010139700000000, -0.0005852000000000 ] - [ 0.0024703100000000, 0.0015466500000000, -0.0008999000000000 ] - [ -0.0018691900000000, 0.0011465000000000, -0.0000733800000000 ] - [ -0.0004220500000000, -0.0003836000000000, -0.0004469100000000 ] - [ 0.0016637200000000, 0.0046818100000000, 0.0079650500000000 ] - [ 0.0008609800000000, 0.0008851600000000, 0.0008420900000000 ] - [ -0.0054420000000000, -0.0068057000000000, -0.0011512600000000 ] - [ -0.0043714000000000, -0.0005333200000000, -0.0003050000000000 ] - [ 0.0009543100000000, -0.0003074000000000, 0.0003493100000000 ] - [ 0.0001135600000000, -0.0002460700000000, -0.0003639100000000 ] - [ 0.0027031400000000, 0.0015517200000000, -0.0002403000000000 ] - [ -0.0033541900000000, 0.0029784500000000, -0.0063935400000000 ] - [ -0.0002401000000000, -0.0003076600000000, 0.0000945900000000 ] - [ 0.0005969600000000, -0.0001762500000000, -0.0003015400000000 ] - [ 0.0007314300000000, -0.0116731200000000, 0.0070135800000000 ] - [ -0.0010968600000000, -0.0057744100000000, -0.0027142500000000 ] - [ -0.0010112500000000, 0.0003183500000000, -0.0005846300000000 ] - [ 0.0227245100000000, 0.1254084100000000, 0.0340665700000000 ] - [ 0.0002566700000000, 0.0000348700000000, -0.0000491300000000 ] - [ 0.0007282000000000, 0.0004785600000000, -0.0002399600000000 ] - [ -0.0000399200000000, -0.0002577300000000, -0.0000939900000000 ] - [ 0.0011956100000000, 0.0008265500000000, -0.0006629100000000 ] - [ 0.0001265100000000, 0.0002469500000000, -0.0000301400000000 ] - [ -0.0005519700000000, -0.0002928400000000, -0.0000954900000000 ] - [ 0.0003660400000000, -0.0000623800000000, 0.0004986100000000 ] - [ -0.0002682900000000, -0.0008013000000000, 0.0003903500000000 ] - [ -0.0002945400000000, -0.0002006400000000, -0.0020772400000000 ] - [ 0.0007248500000000, -0.0004208100000000, -0.0004751800000000 ] - [ -0.0005282000000000, 0.0000503600000000, 0.0002045100000000 ] - [ 0.0010595100000000, 0.0006512600000000, 0.0009152800000000 ] - [ -0.0023548800000000, -0.0260581100000000, -0.0017331300000000 ] - [ 0.0001708700000000, -0.0006866900000000, 0.0006478900000000 ] - [ -0.0002187500000000, 0.0001283300000000, -0.0007968300000000 ] - [ -0.0001720700000000, 0.0001019000000000, 0.0000067200000000 ] - [ 0.0005294400000000, 0.0003441600000000, 0.0000430600000000 ] - [ 0.0028498700000000, 0.0001691400000000, 0.0016203800000000 ] - [ 0.0003162300000000, 0.0002829000000000, 0.0000613500000000 ] - [ -0.0002254600000000, 0.0005982600000000, -0.0005051400000000 ] - [ -0.0001976700000000, 0.0002645600000000, 0.0001495600000000 ] - [ 0.0000867600000000, -0.0002449600000000, -0.0001606300000000 ] - [ -0.0000725300000000, 0.0007804500000000, -0.0004287200000000 ] - [ 0.0001829400000000, 0.0003051300000000, -0.0000756700000000 ] - [ -0.0000164800000000, -0.0004724100000000, 0.0000829400000000 ] - [ 0.0002570500000000, 0.0002079100000000, -0.0000880500000000 ] - [ -0.0002086400000000, -0.0003025600000000, -0.0001913900000000 ] - [ 0.0010423000000000, -0.0144418600000000, -0.0058343100000000 ] - [ 0.0000849700000000, -0.0001217900000000, 0.0002605100000000 ] - [ -0.0000893500000000, -0.0002638700000000, -0.0004321900000000 ] - [ -0.0005033700000000, -0.0028203100000000, -0.0001279300000000 ] - [ 0.0000565400000000, -0.0002262900000000, 0.0001025000000000 ] - [ -0.0059347500000000, 0.0016339700000000, 0.0029565800000000 ] - [ 0.0004723500000000, 0.0000405800000000, 0.0013442000000000 ] - [ 0.0012273000000000, 0.0027897200000000, 0.0014606300000000 ] - [ -0.0003879100000000, -0.0001470500000000, -0.0002183700000000 ] - [ -0.0009064900000000, 0.0009448600000000, 0.0009811500000000 ] - [ -0.0006170900000000, -0.0014097500000000, -0.0000797400000000 ] - [ 0.0038921100000000, 0.0004122700000000, 0.0054663200000000 ] - [ -0.0001519500000000, -0.0002569100000000, -0.0002467200000000 ] - [ -0.0000818900000000, 0.0002479500000000, -0.0001169100000000 ] - [ -0.0006751400000000, -0.0003248200000000, 0.0001982400000000 ] - [ 0.0003327700000000, 0.0000528800000000, 0.0000452800000000 ] - [ -0.0010801600000000, 0.0003203100000000, -0.0002300600000000 ] - [ 0.0003161400000000, 0.0002874200000000, 0.0005094300000000 ] - [ -0.0004289300000000, -0.0006637300000000, -0.0000016600000000 ] - [ 0.0009374400000000, 0.0005775700000000, 0.0010031600000000 ] - [ 0.0002527500000000, -0.0009410000000000, -0.0005287800000000 ] - [ -0.0000108400000000, -0.0000132300000000, 0.0004539900000000 ] - [ -0.0004482500000000, 0.0001890000000000, -0.0009152300000000 ] - [ -0.0002261700000000, 0.0002461300000000, 0.0001414000000000 ] - [ -0.0000758100000000, 0.0003344500000000, -0.0000236500000000 ] - [ -0.0000769300000000, -0.0006852700000000, -0.0001714200000000 ] - [ -0.0001315600000000, -0.0003040200000000, 0.0006594400000000 ] - [ 0.0005633300000000, -0.0008031600000000, 0.0002140700000000 ] - [ 0.0003403700000000, -0.0022814900000000, 0.0014135400000000 ] - [ 0.0001731000000000, -0.0001782400000000, 0.0005010400000000 ] - [ 0.0001366600000000, 0.0000505000000000, -0.0001460000000000 ] - [ -0.0001597000000000, -0.0006521200000000, -0.0004904600000000 ] - [ 0.0004440300000000, -0.0015029500000000, 0.0003589000000000 ] - [ -0.0031926600000000, 0.0046732900000000, -0.0038909100000000 ] - [ -0.0008942100000000, 0.0009301400000000, -0.0006804300000000 ] - [ -0.0005789500000000, -0.0000177800000000, 0.0002065900000000 ] - [ -0.0008703300000000, -0.0005040600000000, -0.0001112200000000 ] - [ 0.0040041900000000, -0.0002649100000000, -0.0034857200000000 ] - [ -0.0021946000000000, -0.0012054900000000, -0.0036803900000000 ]- atom: 54 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ -0.0001824700000000, -0.0002646300000000, -0.0012741100000000 ] - [ 0.0003161500000000, 0.0004230700000000, -0.0012362500000000 ] - [ 0.0002870000000000, -0.0002709700000000, -0.0013316500000000 ] - [ -0.0003641500000000, -0.0005322800000000, -0.0014156100000000 ] - [ -0.0000257300000000, 0.0009567500000000, -0.0008912100000000 ] - [ -0.0001923000000000, -0.0006777800000000, 0.0005498100000000 ] - [ 0.0002982700000000, -0.0004491600000000, -0.0005482700000000 ] - [ 0.0001129000000000, -0.0009205500000000, -0.0011225000000000 ] - [ -0.0003962000000000, 0.0011410300000000, 0.0006935300000000 ] - [ -0.0242243500000000, -0.0159603200000000, 0.0092351700000000 ] - [ -0.0001727100000000, 0.0005773800000000, -0.0003066200000000 ] - [ 0.0009964300000000, 0.0004300800000000, -0.0006642100000000 ] - [ 0.0020964500000000, -0.0001376100000000, 0.0025668300000000 ] - [ -0.0001724800000000, -0.0008157200000000, -0.0007178100000000 ] - [ 0.0001341400000000, -0.0002080700000000, -0.0013155100000000 ] - [ 0.0000699000000000, -0.0009427300000000, -0.0013163200000000 ] - [ 0.0002424500000000, -0.0004368400000000, -0.0012937600000000 ] - [ 0.0004850900000000, 0.0007379500000000, -0.0000071500000000 ] - [ 0.0009437800000000, 0.0004565500000000, 0.0028490500000000 ] - [ -0.0001086400000000, 0.0007050100000000, -0.0013848700000000 ] - [ 0.0002987400000000, -0.0006203500000000, -0.0015914600000000 ] - [ 0.0002131700000000, -0.0008523000000000, -0.0010648400000000 ] - [ -0.0002726500000000, -0.0003119600000000, -0.0014892800000000 ] - [ -0.0000604400000000, -0.0000021000000000, -0.0012282700000000 ] - [ -0.0009634800000000, 0.0000117800000000, -0.0019007000000000 ] - [ -0.0072406800000000, 0.0256722200000000, 0.0399324600000000 ] - [ 0.0006220200000000, 0.0001517800000000, -0.0006388900000000 ] - [ -0.0005611500000000, -0.0002889300000000, -0.0008158700000000 ] - [ 0.0003142000000000, 0.0009894100000000, 0.0029055300000000 ] - [ -0.0257259400000000, 0.0101233900000000, 0.0093715100000000 ] - [ -0.0007461600000000, -0.0007682400000000, 0.0028815200000000 ] - [ -0.0031434200000000, 0.0036421300000000, 0.0069778700000000 ] - [ 0.0004483600000000, -0.0004652100000000, -0.0018922800000000 ] - [ -0.0008461700000000, 0.0005414700000000, -0.0022102000000000 ] - [ -0.0004059600000000, 0.0001614700000000, -0.0013372200000000 ] - [ -0.0048074500000000, 0.0020638500000000, 0.0054924100000000 ] - [ -0.0009770200000000, 0.0008406600000000, -0.0023971000000000 ] - [ 0.0023456000000000, 0.0020876700000000, 0.0001589400000000 ] - [ 0.0009566900000000, 0.0000166400000000, 0.0008072400000000 ] - [ -0.0003692600000000, -0.0003566500000000, -0.0020713700000000 ] - [ -0.0026622900000000, -0.0037823700000000, 0.0002100400000000 ] - [ 0.0010220400000000, 0.0010089900000000, -0.0006908800000000 ] - [ -0.0054069100000000, -0.0018717900000000, 0.0044398400000000 ] - [ 0.0083752400000000, -0.0005338400000000, 0.0005156800000000 ] - [ 0.0009664100000000, -0.0002866100000000, -0.0016569000000000 ] - [ 0.0002242000000000, -0.0002117800000000, -0.0021326100000000 ] - [ 0.0101868500000000, 0.0011560900000000, -0.0005259500000000 ] - [ -0.0030349600000000, 0.0019062000000000, -0.0022236400000000 ] - [ -0.0002027600000000, -0.0006540700000000, 0.0010260800000000 ] - [ 0.0005136000000000, 0.0000790000000000, 0.0006249100000000 ] - [ 0.0005657500000000, -0.0066210300000000, 0.0022127900000000 ] - [ 0.0017643800000000, 0.0006184500000000, -0.0016678000000000 ] - [ -0.0000555600000000, -0.0005350000000000, -0.0012853800000000 ] - [ 0.0789643200000000, -0.0214866400000000, -0.0827923200000000 ] - [ 0.0002308900000000, 0.0002855100000000, 0.0007385200000000 ] - [ -0.0004297600000000, 0.0007429900000000, 0.0003005000000000 ] - [ -0.0001166700000000, 0.0000029000000000, 0.0007646100000000 ] - [ -0.0012967400000000, -0.0010938700000000, 0.0007323300000000 ] - [ -0.0000963600000000, 0.0002866800000000, 0.0009260600000000 ] - [ -0.0006616700000000, -0.0004315500000000, 0.0008112500000000 ] - [ 0.0006340700000000, -0.0000240900000000, 0.0016136700000000 ] - [ -0.0002732700000000, -0.0010238600000000, 0.0012807600000000 ] - [ 0.0001614500000000, 0.0014392400000000, 0.0009204000000000 ] - [ -0.0022367300000000, 0.0017213100000000, 0.0011777100000000 ] - [ -0.0010213100000000, 0.0000269300000000, -0.0001638800000000 ] - [ 0.0007586000000000, 0.0001132500000000, 0.0001914300000000 ] - [ 0.0041624100000000, 0.0024492000000000, -0.0080323400000000 ] - [ 0.0003512400000000, -0.0006706200000000, 0.0014512300000000 ] - [ -0.0000056000000000, 0.0002344300000000, 0.0004345100000000 ] - [ 0.0002228700000000, 0.0001462200000000, 0.0009404400000000 ] - [ 0.0004709200000000, 0.0002196100000000, 0.0007693500000000 ] - [ 0.0002706100000000, -0.0003341800000000, -0.0024249500000000 ] - [ -0.0001470600000000, 0.0002668400000000, 0.0008665300000000 ] - [ 0.0003523100000000, 0.0004310500000000, 0.0000181300000000 ] - [ -0.0004165100000000, 0.0001467300000000, 0.0007613700000000 ] - [ -0.0000250200000000, -0.0002602000000000, 0.0006209300000000 ] - [ -0.0006775400000000, 0.0001991400000000, -0.0017274600000000 ] - [ -0.0001462300000000, 0.0004370900000000, 0.0007490000000000 ] - [ 0.0000074000000000, -0.0005053600000000, 0.0012412800000000 ] - [ 0.0001684100000000, -0.0002192000000000, 0.0008992700000000 ] - [ -0.0004639800000000, -0.0002691100000000, 0.0005505100000000 ] - [ -0.0006453900000000, 0.0090389300000000, -0.0005699700000000 ] - [ 0.0000268500000000, -0.0002717400000000, 0.0004834800000000 ] - [ -0.0000606900000000, -0.0004863500000000, 0.0003126500000000 ] - [ 0.0004055200000000, 0.0010664300000000, 0.0005572100000000 ] - [ 0.0000844100000000, -0.0002543000000000, 0.0009455100000000 ] - [ -0.0169876000000000, -0.0069369200000000, 0.0104316400000000 ] - [ 0.0006890600000000, -0.0009094900000000, 0.0010931200000000 ] - [ -0.0023450200000000, -0.0012467500000000, -0.0045818400000000 ] - [ -0.0003965100000000, 0.0004553000000000, 0.0006754200000000 ] - [ -0.0022827800000000, 0.0014122700000000, 0.0017813500000000 ] - [ -0.0006041800000000, -0.0010777500000000, -0.0010877900000000 ] - [ 0.0062234800000000, -0.0023858600000000, 0.0051596000000000 ] - [ 0.0002806900000000, -0.0000696500000000, 0.0004009800000000 ] - [ -0.0002499100000000, 0.0002292400000000, 0.0007097100000000 ] - [ -0.0007604100000000, -0.0004218700000000, -0.0006024000000000 ] - [ 0.0003904100000000, -0.0003966700000000, 0.0010334500000000 ] - [ 0.0008714500000000, 0.0004187400000000, -0.0018176700000000 ] - [ 0.0008293200000000, 0.0001891800000000, 0.0018863400000000 ] - [ -0.0005476600000000, -0.0004675600000000, -0.0003822200000000 ] - [ -0.0023190900000000, 0.0003052500000000, -0.0016130800000000 ] - [ 0.0003303500000000, -0.0007099600000000, 0.0002835200000000 ] - [ 0.0001518800000000, 0.0000731900000000, 0.0014427900000000 ] - [ -0.0002120600000000, 0.0001222300000000, -0.0000068900000000 ] - [ -0.0003530600000000, 0.0005616000000000, 0.0009882600000000 ] - [ -0.0001891500000000, -0.0000420700000000, 0.0008555000000000 ] - [ 0.0002910500000000, 0.0000283100000000, 0.0004059000000000 ] - [ -0.0021893300000000, -0.0018236500000000, 0.0018344600000000 ] - [ -0.0007352100000000, 0.0008664500000000, -0.0013638300000000 ] - [ 0.0002378800000000, -0.0002645900000000, 0.0008675800000000 ] - [ 0.0005761100000000, -0.0002023600000000, 0.0017164200000000 ] - [ -0.0000113500000000, -0.0006066800000000, 0.0010354400000000 ] - [ 0.0001217800000000, -0.0006552300000000, 0.0007350300000000 ] - [ 0.0008739300000000, -0.0002110300000000, -0.0011452800000000 ] - [ -0.0001025700000000, 0.0015747100000000, -0.0044374100000000 ] - [ -0.0032589500000000, 0.0004438500000000, -0.0029652500000000 ] - [ -0.0006807900000000, 0.0003062700000000, 0.0010755700000000 ] - [ -0.0031648500000000, -0.0017975100000000, -0.0001010900000000 ] - [ -0.0099028800000000, 0.0021850600000000, 0.0075153600000000 ] - [ 0.0053957000000000, 0.0024104100000000, 0.0030248400000000 ]- atom: 54 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ 0.0000372800000000, -0.0002336600000000, 0.0012085600000000 ] - [ -0.0001000200000000, -0.0011298400000000, 0.0017188600000000 ] - [ 0.0002431400000000, -0.0006878100000000, 0.0007468800000000 ] - [ -0.0003616500000000, -0.0003114600000000, 0.0008219300000000 ] - [ 0.0002551500000000, -0.0002488000000000, 0.0013953600000000 ] - [ -0.0000935600000000, -0.0005134200000000, 0.0004570000000000 ] - [ -0.0008269500000000, -0.0005068500000000, 0.0011276000000000 ] - [ 0.0000353100000000, 0.0004176300000000, 0.0012037800000000 ] - [ 0.0001695700000000, 0.0004946800000000, -0.0005457800000000 ] - [ 0.0238086200000000, 0.0153685800000000, -0.0098031100000000 ] - [ -0.0001176600000000, 0.0006130200000000, 0.0013061700000000 ] - [ -0.0002793800000000, 0.0004126400000000, 0.0012581600000000 ] - [ -0.0023012900000000, 0.0008535800000000, -0.0030530700000000 ] - [ -0.0000488000000000, -0.0008247900000000, 0.0008793400000000 ] - [ 0.0001047200000000, -0.0004231700000000, 0.0006830500000000 ] - [ 0.0006548300000000, 0.0000992200000000, 0.0019179500000000 ] - [ -0.0000954700000000, 0.0009416200000000, 0.0013621200000000 ] - [ -0.0007324900000000, -0.0001083200000000, 0.0006392200000000 ] - [ -0.0010946300000000, 0.0000363700000000, -0.0029299300000000 ] - [ 0.0002474900000000, -0.0010113800000000, 0.0016861400000000 ] - [ -0.0000090600000000, -0.0005695600000000, 0.0005893000000000 ] - [ 0.0000090300000000, -0.0007859800000000, 0.0009054800000000 ] - [ 0.0000478400000000, -0.0004016900000000, 0.0009874100000000 ] - [ -0.0000792800000000, 0.0003059700000000, 0.0009217600000000 ] - [ 0.0004401100000000, 0.0009460300000000, 0.0024898600000000 ] - [ 0.0074704200000000, -0.0227653000000000, -0.0394588300000000 ] - [ -0.0004725300000000, 0.0001487700000000, 0.0009511400000000 ] - [ 0.0003194900000000, -0.0003437000000000, 0.0014480700000000 ] - [ 0.0001935400000000, -0.0000272200000000, -0.0034785200000000 ] - [ 0.0269295500000000, -0.0099313700000000, -0.0099116800000000 ] - [ 0.0000459000000000, 0.0016206600000000, -0.0034725500000000 ] - [ 0.0034645500000000, -0.0015832900000000, -0.0074069300000000 ] - [ 0.0003785900000000, -0.0003428800000000, 0.0025335700000000 ] - [ -0.0010879100000000, 0.0001033900000000, 0.0020548800000000 ] - [ 0.0002189900000000, 0.0001521800000000, 0.0023327400000000 ] - [ 0.0046311500000000, -0.0023561200000000, -0.0044707000000000 ] - [ -0.0006698300000000, 0.0010199700000000, 0.0007644900000000 ] - [ -0.0004118700000000, -0.0014255500000000, -0.0000021600000000 ] - [ -0.0017825500000000, 0.0007857500000000, -0.0014586500000000 ] - [ -0.0004599100000000, -0.0004492900000000, 0.0014286000000000 ] - [ 0.0043159800000000, 0.0019580100000000, 0.0013856900000000 ] - [ 0.0006262400000000, 0.0008523300000000, 0.0023240600000000 ] - [ 0.0037491700000000, 0.0000430800000000, -0.0061019700000000 ] - [ -0.0102747100000000, -0.0001161200000000, -0.0006655000000000 ] - [ 0.0009722400000000, -0.0003606100000000, 0.0018137100000000 ] - [ -0.0000398200000000, -0.0001003600000000, 0.0011349000000000 ] - [ -0.0093973500000000, -0.0003470800000000, 0.0011671300000000 ] - [ 0.0032213600000000, -0.0015661200000000, 0.0012468500000000 ] - [ -0.0003332800000000, 0.0001814300000000, -0.0010248500000000 ] - [ 0.0006847800000000, -0.0001805900000000, -0.0012122700000000 ] - [ 0.0001569300000000, 0.0067619400000000, -0.0011434500000000 ] - [ -0.0015718200000000, -0.0011007900000000, 0.0017145700000000 ] - [ -0.0006699300000000, 0.0003641400000000, 0.0001859900000000 ] - [ -0.0796407100000000, 0.0204454600000000, 0.0814848700000000 ] - [ 0.0002450500000000, -0.0004441800000000, -0.0009309900000000 ] - [ 0.0008046600000000, 0.0005632400000000, 0.0006250600000000 ] - [ 0.0000584900000000, -0.0005826900000000, -0.0009863600000000 ] - [ 0.0024818300000000, 0.0011893900000000, -0.0013166700000000 ] - [ 0.0002950600000000, 0.0002191400000000, -0.0009090600000000 ] - [ -0.0003356500000000, -0.0001977500000000, -0.0008356800000000 ] - [ 0.0000856800000000, -0.0001454100000000, -0.0005209300000000 ] - [ -0.0002381500000000, -0.0007191100000000, -0.0003614100000000 ] - [ -0.0008605400000000, -0.0014081000000000, -0.0012778400000000 ] - [ 0.0024150700000000, -0.0011811500000000, -0.0013009500000000 ] - [ 0.0005067600000000, 0.0005263100000000, 0.0000131800000000 ] - [ 0.0000592300000000, -0.0004859200000000, 0.0015593900000000 ] - [ -0.0040329400000000, -0.0020183200000000, 0.0083093300000000 ] - [ 0.0000258900000000, -0.0006378200000000, -0.0005300800000000 ] - [ -0.0004428500000000, 0.0001473400000000, -0.0015076700000000 ] - [ -0.0009430000000000, 0.0000229900000000, -0.0020311500000000 ] - [ 0.0005310100000000, 0.0004098700000000, -0.0007443900000000 ] - [ 0.0004342800000000, 0.0003888500000000, 0.0027793200000000 ] - [ 0.0006522400000000, 0.0002895000000000, -0.0007150200000000 ] - [ -0.0004838900000000, 0.0000669100000000, -0.0002880100000000 ] - [ -0.0000401300000000, 0.0004517600000000, -0.0006415200000000 ] - [ 0.0001872300000000, -0.0002000100000000, -0.0008786300000000 ] - [ 0.0005130900000000, 0.0002116800000000, 0.0008329200000000 ] - [ 0.0006027800000000, 0.0001620600000000, -0.0008670600000000 ] - [ 0.0000527600000000, -0.0000731400000000, -0.0010186200000000 ] - [ 0.0003689700000000, 0.0006954000000000, -0.0009017100000000 ] - [ -0.0000435400000000, -0.0002872400000000, -0.0007017600000000 ] - [ -0.0001702400000000, -0.0094326900000000, -0.0011291700000000 ] - [ -0.0001904300000000, -0.0001882700000000, -0.0002256800000000 ] - [ -0.0000936100000000, 0.0000777500000000, -0.0012180500000000 ] - [ -0.0009183100000000, 0.0006667100000000, 0.0003764700000000 ] - [ 0.0000482000000000, -0.0002439400000000, -0.0006693100000000 ] - [ 0.0176863200000000, 0.0064453700000000, -0.0107158700000000 ] - [ -0.0001491500000000, 0.0004254200000000, -0.0010933100000000 ] - [ 0.0017785300000000, 0.0016959400000000, 0.0045614100000000 ] - [ -0.0003007100000000, -0.0005076100000000, -0.0010265800000000 ] - [ 0.0023613900000000, -0.0008451900000000, -0.0015741400000000 ] - [ 0.0004109700000000, 0.0005453300000000, 0.0012151300000000 ] - [ -0.0064635800000000, 0.0018974900000000, -0.0052044200000000 ] - [ -0.0004423300000000, 0.0005303100000000, -0.0001377500000000 ] - [ 0.0000502800000000, 0.0002776300000000, -0.0007275400000000 ] - [ 0.0003124500000000, 0.0000358600000000, -0.0004759100000000 ] - [ 0.0003057000000000, 0.0003445200000000, -0.0006816800000000 ] - [ -0.0004024200000000, -0.0002625400000000, 0.0016211200000000 ] - [ -0.0000149500000000, 0.0001782900000000, -0.0001447000000000 ] - [ 0.0000948400000000, -0.0001271200000000, 0.0005049000000000 ] - [ 0.0027526800000000, 0.0000783700000000, 0.0026807800000000 ] - [ 0.0001800300000000, -0.0010303300000000, -0.0012003400000000 ] - [ 0.0000052700000000, -0.0004818200000000, -0.0005350500000000 ] - [ -0.0006010800000000, 0.0002457400000000, -0.0017340000000000 ] - [ -0.0001224100000000, -0.0004040700000000, -0.0007962400000000 ] - [ -0.0000067700000000, 0.0005695800000000, -0.0007236900000000 ] - [ -0.0004242400000000, -0.0005283400000000, -0.0006826900000000 ] - [ 0.0023652400000000, 0.0022570900000000, -0.0009451400000000 ] - [ 0.0006739200000000, -0.0002839300000000, 0.0011440500000000 ] - [ -0.0007115400000000, 0.0001033800000000, -0.0006807200000000 ] - [ -0.0001286100000000, -0.0001800900000000, -0.0006424400000000 ] - [ 0.0002036500000000, 0.0000787400000000, -0.0011670500000000 ] - [ -0.0004981800000000, -0.0006519500000000, -0.0016541800000000 ] - [ -0.0018719600000000, 0.0008366700000000, 0.0011102500000000 ] - [ 0.0006518200000000, 0.0001428800000000, 0.0035527800000000 ] - [ 0.0029085400000000, 0.0008640100000000, 0.0020590400000000 ] - [ -0.0005199500000000, -0.0002017600000000, -0.0004862100000000 ] - [ 0.0019219100000000, 0.0016705700000000, 0.0007037300000000 ] - [ 0.0103195400000000, -0.0027126400000000, -0.0072554900000000 ] - [ -0.0043797200000000, -0.0030223400000000, -0.0029932000000000 ]- atom: 55 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ 0.0150396500000000, 0.0008622300000000, -0.0045973900000000 ] - [ 0.0004470300000000, -0.0003850400000000, 0.0004841900000000 ] - [ -0.0039091900000000, -0.0018622100000000, -0.0000571400000000 ] - [ 0.0175552000000000, 0.0075741300000000, 0.0057510300000000 ] - [ -0.0015426900000000, 0.0001383200000000, 0.0000129200000000 ] - [ -0.0002065500000000, -0.0006144300000000, 0.0005262400000000 ] - [ -0.0003619300000000, -0.0004810200000000, 0.0001426300000000 ] - [ 0.0004354100000000, -0.0002111100000000, 0.0002874000000000 ] - [ 0.0000170500000000, 0.0005540400000000, 0.0004261400000000 ] - [ 0.0000372200000000, -0.0002167000000000, -0.0000328800000000 ] - [ 0.0028016900000000, 0.0005604900000000, 0.0005466200000000 ] - [ -0.0002149900000000, -0.0026277200000000, 0.0054645600000000 ] - [ -0.0001023700000000, 0.0003089500000000, -0.0000671700000000 ] - [ -0.0005817500000000, -0.0008792800000000, 0.0001184400000000 ] - [ 0.0010217800000000, 0.0003890700000000, -0.0012898100000000 ] - [ 0.0001542700000000, -0.0004839300000000, 0.0005506700000000 ] - [ -0.0016884700000000, 0.0005515000000000, -0.0002419200000000 ] - [ 0.0002537900000000, 0.0010786200000000, 0.0016337600000000 ] - [ -0.0000721600000000, 0.0003061000000000, 0.0001353100000000 ] - [ 0.0003082500000000, -0.0015211000000000, -0.0011233000000000 ] - [ -0.0061860200000000, 0.0013979300000000, -0.0025018600000000 ] - [ 0.0002066700000000, 0.0004217900000000, -0.0028136000000000 ] - [ 0.0019137400000000, -0.0030414100000000, 0.0005564900000000 ] - [ -0.0019001500000000, 0.0001919200000000, -0.0001151700000000 ] - [ 0.0007087900000000, 0.0014716300000000, -0.0017395900000000 ] - [ 0.0001595400000000, 0.0006036200000000, -0.0004223700000000 ] - [ -0.0001183900000000, 0.0002078800000000, -0.0000936400000000 ] - [ -0.0003568700000000, -0.0002313800000000, 0.0006249100000000 ] - [ 0.0003652900000000, 0.0005741500000000, -0.0001956300000000 ] - [ 0.0000139500000000, 0.0002610500000000, -0.0002400500000000 ] - [ -0.0004502000000000, 0.0004624900000000, -0.0002168400000000 ] - [ -0.0000599200000000, 0.0008667700000000, -0.0002514700000000 ] - [ 0.0040921400000000, -0.0005093300000000, 0.0022861200000000 ] - [ -0.0078099700000000, 0.0004369900000000, -0.0084563000000000 ] - [ 0.0471568700000000, -0.0348496800000000, -0.0192589500000000 ] - [ -0.0002240100000000, -0.0001452800000000, 0.0006372500000000 ] - [ -0.0024444300000000, 0.0010559100000000, -0.0004323900000000 ] - [ 0.0010461400000000, 0.0003274700000000, 0.0002660200000000 ] - [ -0.0007395000000000, 0.0004036200000000, -0.0000539800000000 ] - [ -0.0014354100000000, 0.0007554500000000, 0.0006121300000000 ] - [ 0.0009063100000000, -0.0010239400000000, 0.0005257800000000 ] - [ 0.0009451900000000, 0.0002178400000000, 0.0000211800000000 ] - [ 0.0007581000000000, -0.0010492900000000, -0.0003801800000000 ] - [ -0.0008585700000000, -0.0002904200000000, 0.0000531000000000 ] - [ -0.0004581000000000, 0.0021255400000000, -0.0019586400000000 ] - [ -0.0040356800000000, -0.0007228300000000, -0.0001328900000000 ] - [ -0.0001500000000000, 0.0006055500000000, 0.0009743100000000 ] - [ 0.0000633900000000, 0.0001304100000000, -0.0002421500000000 ] - [ -0.0075431700000000, -0.0015485500000000, 0.0007267200000000 ] - [ 0.0015764400000000, 0.0007315400000000, 0.0012166100000000 ] - [ 0.0002998500000000, 0.0000961900000000, 0.0004216600000000 ] - [ -0.0001460200000000, -0.0001942200000000, 0.0000219200000000 ] - [ -0.0003266700000000, -0.0000853300000000, -0.0005674900000000 ] - [ 0.0000867100000000, 0.0002115200000000, -0.0001353300000000 ] - [ -0.0962089100000000, 0.0248215000000000, 0.0309893900000000 ] - [ 0.0005093200000000, 0.0006891700000000, 0.0004140400000000 ] - [ -0.0049455600000000, -0.0046396800000000, -0.0047302100000000 ] - [ 0.0004816500000000, 0.0000342100000000, -0.0002704100000000 ] - [ 0.0006827200000000, 0.0006146500000000, 0.0003709800000000 ] - [ 0.0023497400000000, 0.0046323600000000, -0.0026006400000000 ] - [ 0.0021436600000000, 0.0001966900000000, 0.0011479600000000 ] - [ -0.0003100400000000, -0.0004581000000000, 0.0012385800000000 ] - [ -0.0005458700000000, -0.0001455900000000, 0.0000901200000000 ] - [ -0.0000125300000000, 0.0002368700000000, -0.0000861900000000 ] - [ -0.0002447300000000, 0.0002840600000000, -0.0001338400000000 ] - [ -0.0005708900000000, -0.0003461400000000, -0.0004721000000000 ] - [ 0.0000334700000000, 0.0002366100000000, 0.0001287100000000 ] - [ -0.0003204100000000, -0.0011399700000000, -0.0004439900000000 ] - [ 0.0009565900000000, 0.0000459900000000, 0.0004195700000000 ] - [ -0.0048531000000000, 0.0066689400000000, 0.0052209100000000 ] - [ 0.0113913200000000, -0.0123214400000000, -0.0122280100000000 ] - [ 0.0000110600000000, -0.0000941300000000, -0.0001152800000000 ] - [ 0.0053189300000000, -0.0000633100000000, 0.0003862100000000 ] - [ -0.0017636800000000, 0.0007856500000000, -0.0011709400000000 ] - [ -0.0000935400000000, 0.0001951800000000, -0.0001552500000000 ] - [ 0.0007283500000000, -0.0015466400000000, 0.0009136800000000 ] - [ 0.0000031200000000, 0.0002212700000000, -0.0005587100000000 ] - [ -0.0012794700000000, 0.0001699400000000, 0.0007050500000000 ] - [ -0.0005087700000000, 0.0000366200000000, -0.0005290700000000 ] - [ 0.0015826500000000, 0.0003508500000000, -0.0008773500000000 ] - [ -0.0003584900000000, -0.0024768300000000, 0.0006462000000000 ] - [ -0.0003067800000000, -0.0001467300000000, -0.0007889000000000 ] - [ 0.0001699600000000, -0.0002413900000000, 0.0001282400000000 ] - [ -0.0003682700000000, -0.0009038900000000, -0.0001412800000000 ] - [ -0.0003075600000000, 0.0010109400000000, 0.0007335700000000 ] - [ 0.0092129000000000, -0.0003479600000000, 0.0041336500000000 ] - [ 0.0006408000000000, -0.0003026800000000, -0.0002002500000000 ] - [ 0.0003160000000000, -0.0002943500000000, -0.0001694500000000 ] - [ -0.0002198000000000, 0.0002134400000000, -0.0000820900000000 ] - [ -0.0003876300000000, 0.0001900200000000, 0.0001545600000000 ] - [ 0.0007939900000000, 0.0002259200000000, -0.0005038800000000 ] - [ -0.0001091600000000, -0.0003242500000000, -0.0000344200000000 ] - [ -0.0007097400000000, -0.0004245600000000, 0.0009641700000000 ] - [ -0.0011350400000000, 0.0008028600000000, 0.0001195100000000 ] - [ 0.0005932900000000, 0.0001240700000000, 0.0001793900000000 ] - [ -0.0003567200000000, -0.0001692900000000, -0.0007035000000000 ] - [ 0.0021863500000000, -0.0004143800000000, 0.0001814700000000 ] - [ 0.0002880200000000, 0.0000917800000000, -0.0001716400000000 ] - [ 0.0008821400000000, 0.0001134900000000, 0.0006746700000000 ] - [ -0.0001678300000000, -0.0003652900000000, -0.0001407700000000 ] - [ 0.0001771600000000, 0.0001884000000000, 0.0004250600000000 ] - [ 0.0009588800000000, -0.0007257600000000, -0.0006622100000000 ] - [ -0.0003556100000000, -0.0003911200000000, -0.0000516800000000 ] - [ -0.0010766800000000, -0.0000571500000000, -0.0006357400000000 ] - [ 0.0012822900000000, 0.0006939800000000, -0.0004577800000000 ] - [ 0.0040258700000000, -0.0021366500000000, -0.0002639400000000 ] - [ 0.0001040200000000, -0.0002338300000000, -0.0001885900000000 ] - [ 0.0005434400000000, 0.0002347200000000, 0.0002127600000000 ] - [ 0.0000612300000000, 0.0002950400000000, -0.0002159800000000 ] - [ -0.0001664200000000, 0.0000015300000000, -0.0000928300000000 ] - [ 0.0142797900000000, 0.0107645700000000, 0.0068926800000000 ] - [ 0.0014588500000000, -0.0006694300000000, 0.0014817100000000 ] - [ -0.0007875400000000, 0.0015681800000000, -0.0051335400000000 ] - [ -0.0004171700000000, 0.0003047700000000, -0.0000891400000000 ] - [ -0.0000184200000000, 0.0008971700000000, -0.0007265500000000 ] - [ -0.0001531400000000, 0.0006300000000000, -0.0007290000000000 ] - [ 0.0003058600000000, 0.0005167500000000, 0.0000929300000000 ] - [ -0.0006165600000000, 0.0000077100000000, 0.0001883300000000 ] - [ 0.0001778700000000, -0.0002855500000000, 0.0000097800000000 ] - [ 0.0005774600000000, -0.0003363400000000, -0.0000946900000000 ]- atom: 55 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ -0.0141264100000000, -0.0014338000000000, 0.0036564100000000 ] - [ -0.0002302000000000, -0.0003279300000000, 0.0000038300000000 ] - [ 0.0044445500000000, 0.0009113000000000, -0.0005217500000000 ] - [ -0.0186403200000000, -0.0090618100000000, -0.0068425000000000 ] - [ 0.0017672400000000, 0.0005765500000000, 0.0004862000000000 ] - [ -0.0000839500000000, -0.0005772000000000, 0.0004770200000000 ] - [ -0.0001736600000000, -0.0004770600000000, 0.0004377900000000 ] - [ -0.0002816900000000, -0.0002876700000000, -0.0002056700000000 ] - [ -0.0002392400000000, 0.0010844100000000, -0.0002606600000000 ] - [ -0.0001812400000000, -0.0000859500000000, -0.0002774000000000 ] - [ -0.0030879400000000, 0.0006311900000000, 0.0004477000000000 ] - [ 0.0009301100000000, 0.0034815400000000, -0.0048868500000000 ] - [ -0.0001153400000000, 0.0004039700000000, -0.0004183400000000 ] - [ 0.0003618700000000, -0.0007623300000000, 0.0000433800000000 ] - [ -0.0008045900000000, -0.0010198800000000, 0.0006319600000000 ] - [ 0.0005711200000000, -0.0003606800000000, 0.0000442800000000 ] - [ 0.0018337500000000, -0.0000514600000000, 0.0003022500000000 ] - [ -0.0005003500000000, -0.0004502400000000, -0.0010051100000000 ] - [ -0.0000818200000000, 0.0001924500000000, -0.0002150300000000 ] - [ -0.0001494200000000, 0.0012422900000000, 0.0014513700000000 ] - [ 0.0064895300000000, -0.0026067900000000, 0.0015047900000000 ] - [ 0.0000123900000000, -0.0020678400000000, 0.0026665700000000 ] - [ -0.0021045300000000, 0.0023195200000000, -0.0010608100000000 ] - [ 0.0017586400000000, 0.0001108500000000, -0.0001889600000000 ] - [ -0.0012209900000000, -0.0005325500000000, 0.0023284400000000 ] - [ 0.0001305300000000, 0.0005882500000000, -0.0005782700000000 ] - [ 0.0002622500000000, 0.0000938600000000, 0.0004077700000000 ] - [ 0.0001180900000000, -0.0003998900000000, 0.0000077300000000 ] - [ 0.0001698400000000, 0.0003836200000000, -0.0003817900000000 ] - [ 0.0002261600000000, 0.0003716600000000, -0.0003918400000000 ] - [ -0.0002751400000000, 0.0003821200000000, -0.0003751200000000 ] - [ 0.0002848800000000, 0.0007746400000000, 0.0000944000000000 ] - [ -0.0032559500000000, -0.0002947300000000, -0.0016455200000000 ] - [ 0.0058760200000000, 0.0002104300000000, 0.0082437000000000 ] - [ -0.0466995800000000, 0.0346596500000000, 0.0199061600000000 ] - [ 0.0000374000000000, -0.0001700400000000, 0.0003615400000000 ] - [ 0.0007967800000000, 0.0008055800000000, -0.0011997600000000 ] - [ 0.0008984200000000, 0.0003203700000000, -0.0001056200000000 ] - [ -0.0000920500000000, 0.0004025900000000, -0.0005905700000000 ] - [ 0.0006099200000000, -0.0015720200000000, -0.0012836300000000 ] - [ 0.0007434300000000, -0.0008347200000000, 0.0011097600000000 ] - [ 0.0006912300000000, 0.0016499100000000, 0.0016082400000000 ] - [ -0.0024162300000000, -0.0008112300000000, -0.0012476800000000 ] - [ -0.0010842200000000, -0.0003574700000000, -0.0002081900000000 ] - [ 0.0024016600000000, -0.0027551800000000, 0.0021025700000000 ] - [ 0.0042121100000000, 0.0004160800000000, -0.0008680700000000 ] - [ 0.0009783000000000, 0.0001984100000000, -0.0003354100000000 ] - [ 0.0001239800000000, 0.0001843200000000, -0.0007532500000000 ] - [ 0.0070210400000000, 0.0010190700000000, -0.0007225400000000 ] - [ -0.0003964500000000, -0.0008256300000000, -0.0017820700000000 ] - [ 0.0004196100000000, 0.0000726000000000, 0.0006700400000000 ] - [ 0.0003434800000000, -0.0003120600000000, -0.0000065000000000 ] - [ -0.0003928600000000, -0.0000833500000000, -0.0005253200000000 ] - [ 0.0000770200000000, 0.0002495800000000, -0.0001249200000000 ] - [ 0.0954164900000000, -0.0240355500000000, -0.0296637900000000 ] - [ -0.0001328200000000, 0.0006173800000000, 0.0005055200000000 ] - [ 0.0048367000000000, 0.0040847300000000, 0.0045440600000000 ] - [ 0.0007188700000000, 0.0000705800000000, -0.0003204600000000 ] - [ -0.0004814900000000, -0.0001119900000000, -0.0003570200000000 ] - [ -0.0033447800000000, -0.0053055300000000, 0.0025873700000000 ] - [ -0.0014178100000000, -0.0003708600000000, -0.0000497200000000 ] - [ -0.0001979900000000, -0.0012837800000000, -0.0003246200000000 ] - [ -0.0001517000000000, 0.0001986400000000, -0.0004428600000000 ] - [ 0.0002088900000000, 0.0002894000000000, -0.0000476700000000 ] - [ -0.0002660600000000, 0.0002719300000000, -0.0000188100000000 ] - [ 0.0013904900000000, -0.0000203600000000, 0.0022165800000000 ] - [ 0.0000985900000000, 0.0002616900000000, 0.0001462900000000 ] - [ 0.0006939500000000, -0.0001730500000000, 0.0013572400000000 ] - [ -0.0014024700000000, 0.0003340900000000, -0.0014853100000000 ] - [ 0.0040850400000000, -0.0065389200000000, -0.0063197300000000 ] - [ -0.0105741400000000, 0.0131662400000000, 0.0124912700000000 ] - [ 0.0006860400000000, 0.0001474800000000, 0.0004684100000000 ] - [ -0.0047926300000000, 0.0006189900000000, -0.0002248500000000 ] - [ 0.0016383700000000, -0.0002829300000000, 0.0008854500000000 ] - [ -0.0003613900000000, 0.0004015900000000, 0.0002753700000000 ] - [ -0.0005562200000000, 0.0010963600000000, -0.0011745200000000 ] - [ -0.0001589900000000, 0.0001894700000000, -0.0003451500000000 ] - [ 0.0017369300000000, 0.0004331900000000, -0.0008199800000000 ] - [ 0.0005654800000000, -0.0006131300000000, 0.0007470400000000 ] - [ -0.0010457600000000, 0.0001227200000000, 0.0008806700000000 ] - [ -0.0001579200000000, 0.0019012100000000, -0.0007908900000000 ] - [ -0.0005079000000000, -0.0002202800000000, -0.0009547900000000 ] - [ -0.0003335300000000, -0.0002189500000000, 0.0001294500000000 ] - [ 0.0002090300000000, 0.0004829200000000, -0.0007530900000000 ] - [ -0.0002046300000000, 0.0007282500000000, 0.0001833100000000 ] - [ -0.0091800100000000, -0.0001470400000000, -0.0039005100000000 ] - [ -0.0001864300000000, -0.0002976700000000, 0.0000835500000000 ] - [ 0.0002200400000000, -0.0001805500000000, 0.0001675600000000 ] - [ -0.0003177300000000, 0.0002603500000000, 0.0000810400000000 ] - [ -0.0003061400000000, -0.0002449900000000, -0.0005073500000000 ] - [ -0.0007360900000000, 0.0003530300000000, 0.0007296600000000 ] - [ -0.0000884400000000, -0.0002066700000000, 0.0001637300000000 ] - [ 0.0005145200000000, -0.0000784900000000, -0.0009949700000000 ] - [ 0.0009782600000000, -0.0003509900000000, 0.0001347100000000 ] - [ -0.0007932900000000, 0.0003825800000000, -0.0001980800000000 ] - [ -0.0000905500000000, -0.0002140400000000, -0.0003678200000000 ] - [ -0.0015054700000000, 0.0003593100000000, 0.0001720100000000 ] - [ 0.0001890200000000, 0.0000677900000000, -0.0000239200000000 ] - [ -0.0000694600000000, 0.0002537100000000, 0.0010654500000000 ] - [ -0.0002844500000000, -0.0002345000000000, 0.0002577600000000 ] - [ 0.0002706900000000, 0.0001960600000000, 0.0006469500000000 ] - [ -0.0004487600000000, -0.0010129600000000, -0.0002560100000000 ] - [ 0.0005098300000000, -0.0000198400000000, 0.0009556900000000 ] - [ 0.0002726000000000, 0.0004368400000000, -0.0010898200000000 ] - [ -0.0017577000000000, -0.0005374500000000, 0.0006543100000000 ] - [ -0.0041762600000000, 0.0026355100000000, 0.0003893700000000 ] - [ -0.0002369700000000, -0.0002657200000000, -0.0000887500000000 ] - [ -0.0003888800000000, 0.0001769600000000, 0.0006931600000000 ] - [ -0.0001175600000000, 0.0002837200000000, -0.0000055100000000 ] - [ -0.0003092200000000, -0.0001608200000000, 0.0002857800000000 ] - [ -0.0136384900000000, -0.0109642600000000, -0.0057750300000000 ] - [ -0.0012657100000000, 0.0001430300000000, -0.0016000100000000 ] - [ 0.0004062600000000, -0.0028535600000000, 0.0041857200000000 ] - [ -0.0005818800000000, 0.0003234200000000, 0.0000635100000000 ] - [ 0.0005302900000000, 0.0008414500000000, -0.0001929900000000 ] - [ -0.0002235500000000, 0.0006796100000000, -0.0001901900000000 ] - [ -0.0015081700000000, -0.0004121200000000, 0.0004943500000000 ] - [ -0.0005828300000000, -0.0001087400000000, 0.0003981500000000 ] - [ 0.0003273300000000, -0.0002700100000000, 0.0001408500000000 ] - [ 0.0004213300000000, -0.0002918000000000, 0.0001180800000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0050800200000000, 0.0066388800000000, -0.0021201000000000 ] - [ -0.0000337600000000, 0.0000351100000000, -0.0005243900000000 ] - [ 0.0001566400000000, -0.0006278800000000, -0.0007297300000000 ] - [ 0.0069536100000000, 0.0055046300000000, 0.0034487900000000 ] - [ -0.0006557000000000, -0.0007573900000000, 0.0005246800000000 ] - [ -0.0001030500000000, -0.0006564000000000, 0.0000523700000000 ] - [ -0.0002399300000000, -0.0007158600000000, 0.0000776900000000 ] - [ 0.0000389800000000, -0.0008994300000000, -0.0006000000000000 ] - [ -0.0000272600000000, 0.0003027700000000, 0.0003283300000000 ] - [ -0.0000431000000000, 0.0000222800000000, -0.0006272300000000 ] - [ 0.0003748500000000, -0.0037377300000000, 0.0055986300000000 ] - [ 0.0003824300000000, 0.0042544300000000, -0.0016958300000000 ] - [ -0.0001229100000000, 0.0004266900000000, -0.0006811000000000 ] - [ 0.0005586000000000, -0.0013942500000000, -0.0001693000000000 ] - [ 0.0037077800000000, -0.0033417000000000, 0.0063353400000000 ] - [ 0.0002993000000000, -0.0005473500000000, 0.0000370500000000 ] - [ -0.0003205000000000, 0.0011341000000000, 0.0004932600000000 ] - [ 0.0006427500000000, -0.0009130700000000, 0.0001954500000000 ] - [ 0.0000095400000000, 0.0001636900000000, -0.0005117500000000 ] - [ -0.0015775500000000, -0.0040153400000000, -0.0026663800000000 ] - [ 0.0026242900000000, 0.0015775400000000, 0.0032212200000000 ] - [ 0.0004006900000000, 0.0008798900000000, -0.0003719600000000 ] - [ -0.0054123800000000, -0.0029020300000000, 0.0039518700000000 ] - [ 0.0002412700000000, -0.0011206000000000, 0.0000279900000000 ] - [ -0.0004932600000000, 0.0042752900000000, -0.0005686400000000 ] - [ 0.0001700800000000, 0.0005872100000000, -0.0009826200000000 ] - [ 0.0000791200000000, 0.0004524700000000, -0.0001614800000000 ] - [ 0.0000432100000000, 0.0002366900000000, -0.0003827900000000 ] - [ 0.0002435100000000, 0.0002061200000000, -0.0007733200000000 ] - [ 0.0000265700000000, 0.0003644600000000, -0.0006371400000000 ] - [ -0.0004411500000000, 0.0003762000000000, -0.0007129800000000 ] - [ -0.0003235400000000, 0.0006889500000000, -0.0007913600000000 ] - [ 0.0001786800000000, 0.0008689500000000, 0.0018755400000000 ] - [ -0.0039058900000000, 0.0014993800000000, -0.0022753600000000 ] - [ -0.0390822400000000, 0.1866400000000000, 0.0836814900000000 ] - [ -0.0001184400000000, -0.0001856400000000, -0.0001391200000000 ] - [ -0.0009664400000000, 0.0016150300000000, -0.0008408800000000 ] - [ 0.0009533000000000, 0.0002662800000000, -0.0007250700000000 ] - [ -0.0002868000000000, 0.0004111300000000, -0.0004582400000000 ] - [ 0.0006037300000000, -0.0095753400000000, -0.0037441100000000 ] - [ 0.0007384100000000, -0.0014517400000000, 0.0004658600000000 ] - [ 0.0002057400000000, 0.0006095000000000, 0.0002694700000000 ] - [ 0.0000935400000000, -0.0002332900000000, -0.0025460600000000 ] - [ -0.0009266100000000, -0.0002854500000000, -0.0007136400000000 ] - [ 0.0040840000000000, -0.0031548000000000, 0.0013959600000000 ] - [ -0.0061693900000000, 0.0002199600000000, 0.0030033500000000 ] - [ 0.0006206800000000, 0.0002943200000000, -0.0003671800000000 ] - [ 0.0001135800000000, 0.0000633700000000, -0.0013663800000000 ] - [ -0.0018267400000000, 0.0206675100000000, -0.0043614800000000 ] - [ 0.0023871500000000, 0.0008520700000000, -0.0002955400000000 ] - [ 0.0004784300000000, 0.0000769300000000, 0.0009975900000000 ] - [ 0.0000532000000000, -0.0001569100000000, 0.0002818800000000 ] - [ -0.0002542000000000, -0.0001135000000000, -0.0001980300000000 ] - [ 0.0001194000000000, 0.0001174300000000, 0.0003019000000000 ] - [ 0.0264527900000000, -0.2426295800000000, -0.1199783800000000 ] - [ 0.0002023200000000, 0.0006477400000000, 0.0002430100000000 ] - [ -0.0056994900000000, 0.0120328000000000, 0.0206093600000000 ] - [ 0.0005674600000000, -0.0001350700000000, -0.0000025000000000 ] - [ 0.0001107500000000, 0.0005677300000000, 0.0001349000000000 ] - [ 0.0075794700000000, 0.0085458500000000, -0.0057612600000000 ] - [ 0.0011859700000000, 0.0004510100000000, 0.0003714600000000 ] - [ -0.0000539200000000, -0.0008990600000000, 0.0007657800000000 ] - [ -0.0004146600000000, -0.0000481900000000, -0.0002080100000000 ] - [ 0.0000330600000000, 0.0004228700000000, 0.0001807700000000 ] - [ -0.0003742300000000, 0.0002838900000000, 0.0002217700000000 ] - [ 0.0002995800000000, -0.0002638400000000, 0.0021994900000000 ] - [ 0.0001610500000000, 0.0003296700000000, 0.0005218200000000 ] - [ 0.0009473400000000, 0.0011696200000000, 0.0026948500000000 ] - [ -0.0009980700000000, 0.0004910800000000, -0.0018034800000000 ] - [ 0.0049553800000000, 0.0046797200000000, 0.0120413100000000 ] - [ -0.0089220900000000, -0.0007101900000000, 0.0057733500000000 ] - [ 0.0002109000000000, 0.0003884300000000, 0.0009004600000000 ] - [ 0.0007544800000000, 0.0000872100000000, 0.0001980400000000 ] - [ 0.0001651000000000, -0.0010787200000000, -0.0027556600000000 ] - [ -0.0026565800000000, 0.0018949600000000, 0.0019228900000000 ] - [ -0.0016631000000000, -0.0004868400000000, -0.0014048900000000 ] - [ -0.0000914900000000, 0.0001820000000000, -0.0002972500000000 ] - [ 0.0003094500000000, -0.0004193800000000, -0.0013203700000000 ] - [ 0.0000235600000000, -0.0001666900000000, -0.0000865600000000 ] - [ 0.0015614800000000, 0.0020327000000000, -0.0019688400000000 ] - [ -0.0032718600000000, 0.0048454400000000, -0.0008938800000000 ] - [ -0.0002738700000000, -0.0000963000000000, -0.0006152700000000 ] - [ -0.0003291500000000, -0.0003983300000000, 0.0005446200000000 ] - [ 0.0006552600000000, 0.0045648000000000, -0.0029809900000000 ] - [ -0.0001310400000000, 0.0012665400000000, 0.0008030100000000 ] - [ 0.0051185100000000, -0.0025539700000000, 0.0009805400000000 ] - [ 0.0002857700000000, -0.0003462400000000, 0.0001565200000000 ] - [ 0.0002692000000000, -0.0001290400000000, 0.0004856200000000 ] - [ -0.0002450200000000, 0.0003488600000000, 0.0003453600000000 ] - [ -0.0001493400000000, 0.0003441300000000, 0.0001263500000000 ] - [ -0.0001838800000000, 0.0000157100000000, 0.0003787800000000 ] - [ -0.0001684400000000, -0.0000370500000000, 0.0004540900000000 ] - [ -0.0003281600000000, -0.0007018600000000, 0.0022785100000000 ] - [ -0.0008308200000000, 0.0024267500000000, -0.0000466200000000 ] - [ -0.0002148200000000, 0.0000296100000000, 0.0000402200000000 ] - [ 0.0000157000000000, -0.0002247300000000, 0.0001175000000000 ] - [ 0.0006810300000000, -0.0009097300000000, 0.0004620800000000 ] - [ 0.0002258600000000, 0.0000111400000000, 0.0001836700000000 ] - [ 0.0004973100000000, -0.0000247900000000, 0.0008933500000000 ] - [ -0.0004047500000000, -0.0001709800000000, 0.0001294800000000 ] - [ 0.0003274300000000, 0.0001664600000000, 0.0009470700000000 ] - [ 0.0001946600000000, -0.0007975800000000, -0.0007988100000000 ] - [ 0.0001424700000000, -0.0013333200000000, 0.0006090000000000 ] - [ 0.0000474700000000, 0.0011577500000000, -0.0011380100000000 ] - [ 0.0003767200000000, -0.0015608500000000, -0.0011020600000000 ] - [ -0.0029366100000000, 0.0015718800000000, -0.0005053500000000 ] - [ -0.0001311600000000, -0.0000496200000000, 0.0001423700000000 ] - [ 0.0000760200000000, 0.0004643800000000, 0.0005474200000000 ] - [ -0.0000648000000000, 0.0002662000000000, 0.0000808500000000 ] - [ -0.0003186800000000, -0.0000596400000000, 0.0004500400000000 ] - [ 0.0072711800000000, 0.0002555000000000, 0.0012540100000000 ] - [ 0.0009828600000000, -0.0017546200000000, 0.0001836100000000 ] - [ 0.0003062800000000, -0.0017544100000000, -0.0026539700000000 ] - [ -0.0005313900000000, 0.0003883300000000, 0.0003536800000000 ] - [ 0.0001203400000000, 0.0001849100000000, -0.0002513300000000 ] - [ -0.0002427100000000, 0.0006448400000000, -0.0000540200000000 ] - [ -0.0007780000000000, 0.0018196900000000, 0.0007237700000000 ] - [ -0.0006527200000000, -0.0002117600000000, 0.0006578200000000 ] - [ 0.0001145900000000, -0.0003055800000000, 0.0003599600000000 ] - [ 0.0004998300000000, -0.0002658100000000, 0.0003323900000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0052450300000000, -0.0071719100000000, 0.0020639800000000 ] - [ 0.0002491800000000, -0.0007512700000000, 0.0010074500000000 ] - [ 0.0003619600000000, -0.0003465400000000, 0.0001459900000000 ] - [ -0.0083477900000000, -0.0068465500000000, -0.0045605600000000 ] - [ 0.0008828200000000, 0.0014708100000000, -0.0000227100000000 ] - [ -0.0001865800000000, -0.0005356400000000, 0.0009472100000000 ] - [ -0.0002944500000000, -0.0002409700000000, 0.0004986000000000 ] - [ 0.0001128400000000, 0.0004041500000000, 0.0006785200000000 ] - [ -0.0001943600000000, 0.0013353900000000, -0.0001696300000000 ] - [ -0.0001019300000000, -0.0003226300000000, 0.0003114900000000 ] - [ -0.0006638900000000, 0.0049327100000000, -0.0046142600000000 ] - [ 0.0003400300000000, -0.0033912900000000, 0.0022787200000000 ] - [ -0.0000934700000000, 0.0002860600000000, 0.0001916800000000 ] - [ -0.0007817500000000, -0.0002466600000000, 0.0003280000000000 ] - [ -0.0034160200000000, 0.0027033700000000, -0.0068805200000000 ] - [ 0.0004267600000000, -0.0002953200000000, 0.0005521000000000 ] - [ 0.0004685500000000, -0.0006363000000000, -0.0004264600000000 ] - [ -0.0008794500000000, 0.0015407400000000, 0.0004322300000000 ] - [ -0.0001622900000000, 0.0003351400000000, 0.0004275300000000 ] - [ 0.0017054100000000, 0.0036823300000000, 0.0029569300000000 ] - [ -0.0023238100000000, -0.0027379400000000, -0.0041928300000000 ] - [ -0.0001826900000000, -0.0025029400000000, 0.0001978600000000 ] - [ 0.0051203600000000, 0.0022058300000000, -0.0044096800000000 ] - [ -0.0003801700000000, 0.0014215400000000, -0.0003282000000000 ] - [ -0.0000437000000000, -0.0032945400000000, 0.0011582200000000 ] - [ 0.0001195200000000, 0.0006046800000000, -0.0000239700000000 ] - [ 0.0000652800000000, -0.0001504300000000, 0.0004695500000000 ] - [ -0.0002826300000000, -0.0008722600000000, 0.0010126500000000 ] - [ 0.0002900900000000, 0.0007489800000000, 0.0001906200000000 ] - [ 0.0002122200000000, 0.0002658100000000, 0.0000019200000000 ] - [ -0.0002843900000000, 0.0004685200000000, 0.0001158400000000 ] - [ 0.0005419600000000, 0.0009513500000000, 0.0006269100000000 ] - [ 0.0006289500000000, -0.0016679500000000, -0.0012606100000000 ] - [ 0.0019711200000000, -0.0008504000000000, 0.0021548000000000 ] - [ 0.0362904600000000, -0.1775563700000000, -0.0769701700000000 ] - [ -0.0000671300000000, -0.0001296300000000, 0.0011309000000000 ] - [ -0.0006727900000000, 0.0002575800000000, -0.0008030200000000 ] - [ 0.0009841300000000, 0.0003806900000000, 0.0008771200000000 ] - [ -0.0005402300000000, 0.0003952300000000, -0.0001884300000000 ] - [ -0.0014202300000000, 0.0087061900000000, 0.0030565600000000 ] - [ 0.0009083200000000, -0.0004099000000000, 0.0011661200000000 ] - [ 0.0014423200000000, 0.0012469000000000, 0.0013590600000000 ] - [ -0.0017365400000000, -0.0016260300000000, 0.0009008900000000 ] - [ -0.0010079500000000, -0.0003622400000000, 0.0005503500000000 ] - [ -0.0021687500000000, 0.0024813700000000, -0.0012176500000000 ] - [ 0.0063664200000000, -0.0005491600000000, -0.0039860700000000 ] - [ 0.0002106400000000, 0.0005125700000000, 0.0010049800000000 ] - [ 0.0000719100000000, 0.0002513600000000, 0.0003634700000000 ] - [ 0.0012168400000000, -0.0205149100000000, 0.0042316900000000 ] - [ -0.0011808200000000, -0.0009559900000000, -0.0003025900000000 ] - [ 0.0002446400000000, 0.0000907100000000, 0.0001026100000000 ] - [ 0.0001468900000000, -0.0003498300000000, -0.0002655300000000 ] - [ -0.0004670000000000, -0.0000548400000000, -0.0008946300000000 ] - [ 0.0000403000000000, 0.0003438000000000, -0.0005593900000000 ] - [ -0.0225414500000000, 0.2337311900000000, 0.1143280600000000 ] - [ 0.0001709400000000, 0.0006598100000000, 0.0006794700000000 ] - [ 0.0056832000000000, -0.0125638400000000, -0.0209616200000000 ] - [ 0.0006290900000000, 0.0002360200000000, -0.0005830300000000 ] - [ 0.0000888100000000, -0.0000573000000000, -0.0001186300000000 ] - [ -0.0086623700000000, -0.0092447300000000, 0.0057715900000000 ] - [ -0.0004750800000000, -0.0006117900000000, 0.0007119800000000 ] - [ -0.0004568500000000, -0.0008368300000000, 0.0001565900000000 ] - [ -0.0002811500000000, 0.0001000100000000, -0.0001434900000000 ] - [ 0.0001597900000000, 0.0001062600000000, -0.0003101700000000 ] - [ -0.0001339000000000, 0.0002737100000000, -0.0003730100000000 ] - [ 0.0005132400000000, -0.0001028300000000, -0.0004451700000000 ] - [ -0.0000299000000000, 0.0001682400000000, -0.0002467100000000 ] - [ -0.0005832200000000, -0.0024792500000000, -0.0017882000000000 ] - [ 0.0005547100000000, -0.0001029600000000, 0.0007292500000000 ] - [ -0.0055697400000000, -0.0044240300000000, -0.0128433500000000 ] - [ 0.0096938900000000, 0.0013290900000000, -0.0056198100000000 ] - [ 0.0004835200000000, -0.0003323400000000, -0.0005415000000000 ] - [ -0.0002549000000000, 0.0004706900000000, -0.0000505600000000 ] - [ -0.0003009500000000, 0.0015812300000000, 0.0024868400000000 ] - [ 0.0022164400000000, -0.0012937400000000, -0.0018077800000000 ] - [ 0.0018074900000000, 0.0000131100000000, 0.0011348500000000 ] - [ -0.0000648300000000, 0.0002259500000000, -0.0006101900000000 ] - [ 0.0001533300000000, 0.0010034400000000, 0.0011965700000000 ] - [ 0.0000375000000000, -0.0004178900000000, 0.0003194500000000 ] - [ -0.0010338800000000, -0.0015612600000000, 0.0019684000000000 ] - [ 0.0028125300000000, -0.0054436300000000, 0.0007426900000000 ] - [ -0.0005397600000000, -0.0002717300000000, -0.0011277600000000 ] - [ 0.0001703800000000, -0.0000606100000000, -0.0002821500000000 ] - [ -0.0008033600000000, -0.0049545800000000, 0.0020485000000000 ] - [ -0.0003790200000000, 0.0004757900000000, 0.0001156000000000 ] - [ -0.0049177400000000, 0.0020398700000000, -0.0006994600000000 ] - [ 0.0001705100000000, -0.0002500700000000, -0.0002764100000000 ] - [ 0.0002691900000000, -0.0003459300000000, -0.0004889300000000 ] - [ -0.0002925900000000, 0.0001277000000000, -0.0003354700000000 ] - [ -0.0005475900000000, -0.0003951200000000, -0.0004752600000000 ] - [ 0.0002399100000000, 0.0005609700000000, -0.0001525400000000 ] - [ -0.0000272900000000, -0.0004922800000000, -0.0003205400000000 ] - [ 0.0001330400000000, 0.0001937300000000, -0.0022751600000000 ] - [ 0.0006712400000000, -0.0019622600000000, 0.0003107900000000 ] - [ 0.0000154000000000, 0.0004739900000000, -0.0000524900000000 ] - [ -0.0004621400000000, -0.0001592300000000, -0.0011872400000000 ] - [ 0.0000155500000000, 0.0008501000000000, -0.0001021500000000 ] - [ 0.0002509000000000, 0.0001449600000000, -0.0003719400000000 ] - [ 0.0003163600000000, 0.0003907100000000, 0.0008591200000000 ] - [ -0.0000531800000000, -0.0004254200000000, -0.0000059100000000 ] - [ 0.0001196500000000, 0.0002190200000000, 0.0001284600000000 ] - [ 0.0003121400000000, -0.0009505100000000, -0.0001217800000000 ] - [ 0.0000157100000000, 0.0009250400000000, 0.0003048700000000 ] - [ -0.0008631800000000, -0.0007629800000000, -0.0006007400000000 ] - [ -0.0008573700000000, 0.0017160300000000, 0.0012886500000000 ] - [ 0.0027434800000000, -0.0010272800000000, 0.0006314100000000 ] - [ 0.0000011900000000, -0.0004489700000000, -0.0004127700000000 ] - [ 0.0000788600000000, -0.0000538600000000, 0.0003629900000000 ] - [ 0.0000072100000000, 0.0003100100000000, -0.0003019200000000 ] - [ -0.0001568500000000, -0.0000981400000000, -0.0002567300000000 ] - [ -0.0068004200000000, -0.0007076900000000, -0.0002291400000000 ] - [ -0.0007863700000000, 0.0012212900000000, -0.0003238300000000 ] - [ -0.0006772100000000, 0.0004077000000000, 0.0017700300000000 ] - [ -0.0004715100000000, 0.0002433300000000, -0.0003752000000000 ] - [ 0.0003887900000000, 0.0015524600000000, -0.0006638500000000 ] - [ -0.0001316400000000, 0.0006645300000000, -0.0008633900000000 ] - [ -0.0004099100000000, -0.0017208500000000, -0.0001421100000000 ] - [ -0.0005453500000000, 0.0001082100000000, -0.0000659300000000 ] - [ 0.0003894600000000, -0.0002524700000000, -0.0002036700000000 ] - [ 0.0005031600000000, -0.0003651000000000, -0.0003041100000000 ]- atom: 55 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ -0.0105804300000000, 0.0002027100000000, 0.0100001500000000 ] - [ -0.0004963700000000, -0.0002334800000000, -0.0014428100000000 ] - [ 0.0017450700000000, -0.0008662100000000, 0.0004300900000000 ] - [ -0.0027159500000000, 0.0000825900000000, 0.0050237200000000 ] - [ 0.0006298500000000, -0.0002084700000000, 0.0005492400000000 ] - [ -0.0000093300000000, -0.0006174800000000, -0.0004859200000000 ] - [ -0.0002291600000000, -0.0007075700000000, -0.0003234000000000 ] - [ -0.0005174600000000, -0.0004967900000000, -0.0015738500000000 ] - [ 0.0000024600000000, 0.0015806200000000, -0.0018141800000000 ] - [ -0.0002103600000000, 0.0001771900000000, -0.0015268000000000 ] - [ -0.0016708000000000, 0.0030083300000000, 0.0023791900000000 ] - [ 0.0032328100000000, 0.0032695800000000, -0.0043396200000000 ] - [ -0.0001047900000000, 0.0003849600000000, -0.0014809100000000 ] - [ 0.0010176200000000, -0.0011743000000000, -0.0003722700000000 ] - [ -0.0011411900000000, -0.0005913200000000, 0.0019237200000000 ] - [ 0.0007847200000000, -0.0003625900000000, -0.0010043200000000 ] - [ 0.0006966100000000, 0.0007769200000000, 0.0004257300000000 ] - [ 0.0008050800000000, -0.0007358800000000, -0.0006536200000000 ] - [ -0.0000039300000000, 0.0001867200000000, -0.0012724000000000 ] - [ -0.0024857900000000, -0.0032120300000000, -0.0022575500000000 ] - [ 0.0052022900000000, -0.0000589200000000, 0.0055334500000000 ] - [ -0.0011434300000000, -0.0007055200000000, 0.0008178700000000 ] - [ -0.0001409000000000, 0.0014922200000000, 0.0023599700000000 ] - [ 0.0007964600000000, 0.0001326100000000, 0.0010646400000000 ] - [ -0.0033357200000000, 0.0021550000000000, -0.0021259100000000 ] - [ 0.0002100400000000, 0.0005764600000000, -0.0016990100000000 ] - [ 0.0001813800000000, 0.0003950500000000, -0.0004839700000000 ] - [ 0.0004503200000000, -0.0001948000000000, -0.0011102000000000 ] - [ 0.0001750800000000, 0.0001077700000000, -0.0015371200000000 ] - [ 0.0000407300000000, 0.0002622300000000, -0.0012000400000000 ] - [ -0.0003974200000000, 0.0004236900000000, -0.0014306900000000 ] - [ -0.0003260900000000, 0.0006785000000000, -0.0012157500000000 ] - [ -0.0026307300000000, 0.0003441600000000, -0.0045348900000000 ] - [ -0.0001388500000000, -0.0001147400000000, 0.0082484400000000 ] - [ -0.0400693500000000, 0.0856473000000000, 0.0745612600000000 ] - [ 0.0000140000000000, -0.0002229100000000, -0.0012181800000000 ] - [ 0.0013251000000000, 0.0013757200000000, -0.0014593500000000 ] - [ 0.0009287800000000, 0.0002819100000000, -0.0018532400000000 ] - [ 0.0004170200000000, 0.0003273300000000, -0.0015371700000000 ] - [ 0.0011975300000000, -0.0067953100000000, -0.0051422500000000 ] - [ 0.0004003700000000, -0.0009257400000000, -0.0004354800000000 ] - [ -0.0003212400000000, 0.0009648800000000, 0.0007626600000000 ] - [ -0.0005730200000000, -0.0010126700000000, -0.0035534100000000 ] - [ -0.0010151300000000, -0.0003694400000000, -0.0018900900000000 ] - [ 0.0005716300000000, -0.0027296300000000, 0.0047212900000000 ] - [ 0.0020169100000000, 0.0004479600000000, 0.0025776700000000 ] - [ 0.0009797500000000, 0.0001802200000000, -0.0011935000000000 ] - [ 0.0001462400000000, 0.0001108200000000, -0.0026393600000000 ] - [ 0.0037903900000000, -0.0011143700000000, -0.0082310800000000 ] - [ 0.0025444400000000, -0.0001639300000000, -0.0022874900000000 ] - [ 0.0007341300000000, 0.0000254500000000, 0.0017861800000000 ] - [ 0.0003233400000000, -0.0003953900000000, 0.0010025900000000 ] - [ -0.0001180500000000, -0.0001327500000000, 0.0004034500000000 ] - [ 0.0001714400000000, 0.0001995100000000, 0.0007589400000000 ] - [ 0.0703236700000000, -0.1170303700000000, -0.1143149400000000 ] - [ 0.0000539800000000, 0.0006061600000000, 0.0006182100000000 ] - [ -0.0023550800000000, 0.0175767400000000, 0.0215287700000000 ] - [ 0.0006850600000000, -0.0002483200000000, 0.0004543800000000 ] - [ 0.0000551200000000, 0.0002889600000000, -0.0004970700000000 ] - [ -0.0015296400000000, -0.0022267300000000, -0.0019834900000000 ] - [ -0.0011338400000000, 0.0000903600000000, -0.0015564900000000 ] - [ 0.0001417600000000, -0.0009990400000000, 0.0004527400000000 ] - [ 0.0002067000000000, -0.0003354500000000, 0.0002577100000000 ] - [ 0.0001766000000000, 0.0006049600000000, 0.0006978500000000 ] - [ -0.0005676200000000, 0.0002610100000000, 0.0006433200000000 ] - [ 0.0005587300000000, 0.0000164700000000, 0.0028410800000000 ] - [ 0.0002266600000000, 0.0003203100000000, 0.0010033500000000 ] - [ 0.0013521600000000, 0.0007778700000000, 0.0033391400000000 ] - [ -0.0011839800000000, 0.0004286300000000, -0.0024943100000000 ] - [ 0.0061613000000000, 0.0106794400000000, 0.0073865100000000 ] - [ -0.0150100700000000, 0.0131065100000000, 0.0067157800000000 ] - [ 0.0003520500000000, 0.0007256300000000, 0.0014742000000000 ] - [ -0.0024575300000000, 0.0003293500000000, -0.0013248400000000 ] - [ -0.0002545200000000, -0.0019385200000000, 0.0034720900000000 ] - [ -0.0026348100000000, 0.0012874200000000, 0.0020706800000000 ] - [ -0.0000162200000000, 0.0002467000000000, -0.0022241400000000 ] - [ -0.0002121200000000, 0.0004005000000000, 0.0001558400000000 ] - [ 0.0017912000000000, -0.0003338300000000, 0.0001248400000000 ] - [ 0.0002952700000000, -0.0009879500000000, 0.0016908400000000 ] - [ -0.0004664700000000, 0.0010746300000000, -0.0007053300000000 ] - [ 0.0010339600000000, 0.0004225100000000, -0.0024461200000000 ] - [ -0.0001194100000000, -0.0001493900000000, -0.0001006600000000 ] - [ -0.0005803200000000, -0.0002681600000000, 0.0008225000000000 ] - [ 0.0001006100000000, 0.0025948000000000, -0.0013386700000000 ] - [ 0.0000605300000000, 0.0009852600000000, 0.0008626600000000 ] - [ 0.0011417200000000, -0.0009547100000000, -0.0024688200000000 ] - [ -0.0000301000000000, -0.0003853900000000, 0.0005128600000000 ] - [ 0.0001852700000000, 0.0001977300000000, 0.0012152900000000 ] - [ -0.0002753700000000, 0.0005858300000000, 0.0009221400000000 ] - [ -0.0000056300000000, 0.0001075200000000, 0.0000297200000000 ] - [ -0.0007300900000000, 0.0003477800000000, 0.0008470500000000 ] - [ -0.0002273100000000, 0.0001719600000000, 0.0009907500000000 ] - [ 0.0000432100000000, -0.0003567400000000, 0.0020597200000000 ] - [ -0.0003619000000000, 0.0011327400000000, 0.0005119900000000 ] - [ -0.0005413200000000, 0.0001637200000000, 0.0002483200000000 ] - [ 0.0002998100000000, -0.0002384100000000, 0.0008042900000000 ] - [ -0.0007480000000000, -0.0001649600000000, 0.0001821500000000 ] - [ 0.0001483800000000, -0.0001717900000000, 0.0006751400000000 ] - [ -0.0003080300000000, 0.0001361800000000, 0.0015508900000000 ] - [ -0.0010604200000000, -0.0003183500000000, 0.0008117300000000 ] - [ 0.0005403600000000, 0.0001733900000000, 0.0016433300000000 ] - [ -0.0006136300000000, -0.0012608000000000, -0.0006580000000000 ] - [ 0.0003695300000000, -0.0001251900000000, 0.0018816600000000 ] - [ 0.0008320600000000, 0.0005955000000000, -0.0013161800000000 ] - [ -0.0014241800000000, -0.0012690500000000, -0.0007238200000000 ] - [ -0.0029296200000000, 0.0024836400000000, -0.0012831000000000 ] - [ -0.0003093800000000, -0.0001438200000000, 0.0005180800000000 ] - [ -0.0002966500000000, 0.0002246100000000, 0.0008532400000000 ] - [ -0.0002616600000000, 0.0000431900000000, 0.0006461800000000 ] - [ -0.0004374600000000, -0.0004325400000000, 0.0011689100000000 ] - [ -0.0071576900000000, -0.0062961700000000, -0.0081216200000000 ] - [ 0.0010547300000000, -0.0001851500000000, -0.0014625500000000 ] - [ -0.0012970100000000, -0.0047015900000000, 0.0057538600000000 ] - [ -0.0006815000000000, 0.0004595600000000, 0.0009393000000000 ] - [ 0.0002777400000000, 0.0007409900000000, 0.0009169200000000 ] - [ -0.0002274000000000, 0.0006865700000000, 0.0005451500000000 ] - [ -0.0008328400000000, -0.0003007700000000, -0.0008642600000000 ] - [ -0.0007268000000000, -0.0004397300000000, 0.0012333800000000 ] - [ 0.0000174400000000, -0.0002962700000000, 0.0008541100000000 ] - [ 0.0003639100000000, -0.0001720800000000, 0.0009513600000000 ]- atom: 55 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ 0.0118584000000000, -0.0008029600000000, -0.0108271600000000 ] - [ 0.0007162200000000, -0.0004792200000000, 0.0019292400000000 ] - [ -0.0012246300000000, -0.0001028100000000, -0.0010154100000000 ] - [ 0.0020895400000000, -0.0008879400000000, -0.0055403700000000 ] - [ -0.0004056800000000, 0.0009186300000000, -0.0000427000000000 ] - [ -0.0002814800000000, -0.0005738500000000, 0.0014864900000000 ] - [ -0.0003061300000000, -0.0002495500000000, 0.0008998900000000 ] - [ 0.0006726200000000, -0.0000023000000000, 0.0016543000000000 ] - [ -0.0002235400000000, 0.0000653000000000, 0.0019689000000000 ] - [ 0.0000664600000000, -0.0004780800000000, 0.0012118200000000 ] - [ 0.0013808000000000, -0.0018174100000000, -0.0013457900000000 ] - [ -0.0024878100000000, -0.0024110900000000, 0.0049083500000000 ] - [ -0.0001131100000000, 0.0003272200000000, 0.0009926400000000 ] - [ -0.0012433300000000, -0.0004655300000000, 0.0005295500000000 ] - [ 0.0013693500000000, -0.0000357300000000, -0.0025817600000000 ] - [ -0.0000611000000000, -0.0004809800000000, 0.0015971700000000 ] - [ -0.0005503500000000, -0.0002763200000000, -0.0003562600000000 ] - [ -0.0010418500000000, 0.0013610600000000, 0.0012864700000000 ] - [ -0.0001491200000000, 0.0003120600000000, 0.0011896300000000 ] - [ 0.0026211500000000, 0.0028882000000000, 0.0025538000000000 ] - [ -0.0048929000000000, -0.0011141700000000, -0.0064909800000000 ] - [ 0.0013695200000000, -0.0009263700000000, -0.0009905300000000 ] - [ -0.0000694300000000, -0.0022043400000000, -0.0028849100000000 ] - [ -0.0009372000000000, 0.0001706800000000, -0.0013729100000000 ] - [ 0.0027890200000000, -0.0011879700000000, 0.0027042800000000 ] - [ 0.0000801000000000, 0.0006148500000000, 0.0006952300000000 ] - [ -0.0000388500000000, -0.0000939400000000, 0.0007930000000000 ] - [ -0.0006911000000000, -0.0004398400000000, 0.0017420100000000 ] - [ 0.0003602500000000, 0.0008489300000000, 0.0009557100000000 ] - [ 0.0001973600000000, 0.0003704000000000, 0.0005670500000000 ] - [ -0.0003293500000000, 0.0004209400000000, 0.0008361500000000 ] - [ 0.0005466400000000, 0.0009618500000000, 0.0010543900000000 ] - [ 0.0034787600000000, -0.0011489800000000, 0.0051894500000000 ] - [ -0.0017937100000000, 0.0007683400000000, -0.0083632300000000 ] - [ 0.0397965900000000, -0.0823713500000000, -0.0728835300000000 ] - [ -0.0002013900000000, -0.0000929900000000, 0.0022136600000000 ] - [ -0.0029810100000000, 0.0004952400000000, -0.0001884300000000 ] - [ 0.0010057100000000, 0.0003662000000000, 0.0020077900000000 ] - [ -0.0012424600000000, 0.0004783800000000, 0.0008933700000000 ] - [ -0.0020236200000000, 0.0059836500000000, 0.0044904900000000 ] - [ 0.0012438200000000, -0.0009341600000000, 0.0020702300000000 ] - [ 0.0019688300000000, 0.0008934400000000, 0.0008639100000000 ] - [ -0.0010730200000000, -0.0008512300000000, 0.0019135200000000 ] - [ -0.0009170800000000, -0.0002782000000000, 0.0017315000000000 ] - [ 0.0013656600000000, 0.0020834800000000, -0.0045583300000000 ] - [ -0.0018569800000000, -0.0007557400000000, -0.0035522700000000 ] - [ -0.0001511200000000, 0.0006245100000000, 0.0018340400000000 ] - [ 0.0000403000000000, 0.0002043100000000, 0.0016398200000000 ] - [ -0.0043314100000000, 0.0006112400000000, 0.0081920300000000 ] - [ -0.0013322200000000, 0.0000690800000000, 0.0017016700000000 ] - [ -0.0000125600000000, 0.0001428200000000, -0.0006918100000000 ] - [ -0.0001248500000000, -0.0001116500000000, -0.0009850700000000 ] - [ -0.0006029400000000, -0.0000359300000000, -0.0014932100000000 ] - [ -0.0000093700000000, 0.0002627600000000, -0.0010145600000000 ] - [ -0.0711315900000000, 0.1137481000000000, 0.1142458800000000 ] - [ 0.0003218900000000, 0.0006998300000000, 0.0002998700000000 ] - [ 0.0022906100000000, -0.0184063700000000, -0.0220691300000000 ] - [ 0.0005144600000000, 0.0003505800000000, -0.0010406200000000 ] - [ 0.0001440500000000, 0.0002189000000000, 0.0005168400000000 ] - [ 0.0005598800000000, 0.0016103700000000, 0.0019232900000000 ] - [ 0.0018595900000000, -0.0002580000000000, 0.0026462100000000 ] - [ -0.0006533400000000, -0.0007375900000000, 0.0004694800000000 ] - [ -0.0009011100000000, 0.0003893300000000, -0.0006111700000000 ] - [ 0.0000167800000000, -0.0000768900000000, -0.0008270700000000 ] - [ 0.0000575300000000, 0.0002954400000000, -0.0007939100000000 ] - [ 0.0002534300000000, -0.0003820500000000, -0.0010956300000000 ] - [ -0.0000938900000000, 0.0001763400000000, -0.0007271000000000 ] - [ -0.0009820300000000, -0.0020910100000000, -0.0024294400000000 ] - [ 0.0007352000000000, -0.0000459100000000, 0.0014180700000000 ] - [ -0.0067759000000000, -0.0103151000000000, -0.0083168300000000 ] - [ 0.0156553000000000, -0.0122092300000000, -0.0065895900000000 ] - [ 0.0003441600000000, -0.0006688500000000, -0.0011172100000000 ] - [ 0.0029588500000000, 0.0002254700000000, 0.0014695800000000 ] - [ 0.0001159900000000, 0.0024076700000000, -0.0037035900000000 ] - [ 0.0021963500000000, -0.0006934700000000, -0.0019606100000000 ] - [ 0.0001822500000000, -0.0007095100000000, 0.0019632200000000 ] - [ 0.0000568000000000, 0.0000098000000000, -0.0010591700000000 ] - [ -0.0013472100000000, 0.0009360800000000, -0.0002381500000000 ] - [ -0.0002395200000000, 0.0004125300000000, -0.0014750200000000 ] - [ 0.0010074900000000, -0.0005932600000000, 0.0006949100000000 ] - [ -0.0015533300000000, -0.0009788700000000, 0.0022954200000000 ] - [ -0.0006929200000000, -0.0002180300000000, -0.0016405600000000 ] - [ 0.0004201800000000, -0.0001922000000000, -0.0005633100000000 ] - [ -0.0002572700000000, -0.0030305600000000, 0.0004482200000000 ] - [ -0.0005723200000000, 0.0007537900000000, 0.0000535300000000 ] - [ -0.0009529900000000, 0.0004516200000000, 0.0027590700000000 ] - [ 0.0004836000000000, -0.0002134100000000, -0.0006303600000000 ] - [ 0.0003515500000000, -0.0006705200000000, -0.0012149100000000 ] - [ -0.0002605800000000, -0.0001126400000000, -0.0009197800000000 ] - [ -0.0006923100000000, -0.0001605700000000, -0.0003788700000000 ] - [ 0.0007865700000000, 0.0002311600000000, -0.0006238900000000 ] - [ 0.0000304800000000, -0.0006988700000000, -0.0008578900000000 ] - [ -0.0002402500000000, -0.0001493800000000, -0.0020691400000000 ] - [ 0.0001992700000000, -0.0006701600000000, -0.0002581900000000 ] - [ 0.0003430000000000, 0.0003398800000000, -0.0002586500000000 ] - [ -0.0007480300000000, -0.0001438000000000, -0.0018755800000000 ] - [ 0.0014407900000000, 0.0000996000000000, 0.0001860700000000 ] - [ 0.0003261400000000, 0.0003285300000000, -0.0008660900000000 ] - [ 0.0011273100000000, 0.0002288400000000, 0.0001958200000000 ] - [ 0.0006040000000000, -0.0002815200000000, -0.0006921800000000 ] - [ -0.0000931200000000, 0.0002094200000000, -0.0005686600000000 ] - [ 0.0011275900000000, -0.0004806300000000, -0.0002555200000000 ] - [ -0.0002161800000000, -0.0002854100000000, -0.0009786600000000 ] - [ -0.0016474700000000, -0.0002311900000000, -0.0004215600000000 ] - [ 0.0009493900000000, 0.0014191200000000, 0.0009097400000000 ] - [ 0.0027565300000000, -0.0019550000000000, 0.0014015500000000 ] - [ 0.0001780500000000, -0.0003538600000000, -0.0007908200000000 ] - [ 0.0004507200000000, 0.0001897500000000, 0.0000504300000000 ] - [ 0.0002027900000000, 0.0005362700000000, -0.0008668800000000 ] - [ -0.0000358700000000, 0.0002746700000000, -0.0009758700000000 ] - [ 0.0075876700000000, 0.0059231300000000, 0.0091947000000000 ] - [ -0.0008571700000000, -0.0003451700000000, 0.0013268300000000 ] - [ 0.0009451000000000, 0.0034520300000000, -0.0067514500000000 ] - [ -0.0003152100000000, 0.0001699000000000, -0.0009626400000000 ] - [ 0.0002330400000000, 0.0009988300000000, -0.0018293300000000 ] - [ -0.0001492100000000, 0.0006209600000000, -0.0014629800000000 ] - [ -0.0003716900000000, 0.0003993800000000, 0.0014504500000000 ] - [ -0.0004749000000000, 0.0003361900000000, -0.0006434200000000 ] - [ 0.0004902200000000, -0.0002604000000000, -0.0007010200000000 ] - [ 0.0006344200000000, -0.0004570100000000, -0.0009250600000000 ]- atom: 56 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ -0.0005966000000000, -0.0000634600000000, -0.0005645600000000 ] - [ -0.0001264800000000, -0.0003951200000000, -0.0001487200000000 ] - [ 0.0008612000000000, -0.0004752300000000, -0.0006856400000000 ] - [ -0.0005368800000000, -0.0005657800000000, -0.0002610100000000 ] - [ 0.0058521700000000, -0.0011984000000000, 0.0003626800000000 ] - [ 0.0003489200000000, -0.0005987400000000, 0.0000864700000000 ] - [ -0.0002526100000000, -0.0006115700000000, -0.0001858100000000 ] - [ -0.0001419000000000, -0.0002215600000000, -0.0003443300000000 ] - [ -0.0084156000000000, -0.0028501300000000, 0.0024367000000000 ] - [ -0.0015150300000000, 0.0002561800000000, 0.0003447500000000 ] - [ -0.0013274300000000, 0.0001485600000000, 0.0012224900000000 ] - [ -0.0003635400000000, 0.0000753600000000, 0.0012829500000000 ] - [ -0.0017258300000000, -0.0017463400000000, -0.0021170000000000 ] - [ -0.0000408800000000, -0.0007831000000000, -0.0003087900000000 ] - [ 0.0000366400000000, -0.0002676200000000, -0.0004452200000000 ] - [ 0.0004754800000000, -0.0005018800000000, -0.0000700800000000 ] - [ 0.0046744300000000, 0.0000533700000000, 0.0012393300000000 ] - [ -0.0020616000000000, 0.0051421300000000, 0.0047761500000000 ] - [ -0.0011629000000000, 0.0018208500000000, -0.0014688400000000 ] - [ -0.0026241600000000, -0.0005139700000000, -0.0016050700000000 ] - [ 0.0005407500000000, -0.0006522100000000, -0.0005805800000000 ] - [ 0.0001055200000000, -0.0008579000000000, -0.0002933900000000 ] - [ -0.0006582700000000, -0.0005201200000000, -0.0007829200000000 ] - [ 0.0004700900000000, 0.0001697000000000, -0.0005355000000000 ] - [ -0.0025742900000000, 0.0026788900000000, -0.0014843200000000 ] - [ 0.0001680700000000, 0.0004479100000000, 0.0000957800000000 ] - [ 0.0000778900000000, 0.0002706700000000, -0.0003369500000000 ] - [ -0.0000235300000000, -0.0003192900000000, 0.0000597600000000 ] - [ -0.0014126700000000, 0.0001627900000000, 0.0001512000000000 ] - [ 0.0037866700000000, 0.0020117100000000, 0.0004479300000000 ] - [ 0.0029822200000000, -0.0011256200000000, 0.0002176900000000 ] - [ 0.0005882800000000, -0.0010611800000000, 0.0014650900000000 ] - [ 0.0002798600000000, -0.0004002400000000, -0.0002564900000000 ] - [ -0.0000171100000000, 0.0004092400000000, -0.0014135000000000 ] - [ -0.0009220100000000, 0.0001973200000000, 0.0005446600000000 ] - [ 0.0004149700000000, -0.0001653600000000, -0.0006241300000000 ] - [ -0.0006627100000000, 0.0008844400000000, -0.0014991600000000 ] - [ 0.0002741800000000, 0.0003162500000000, -0.0013205000000000 ] - [ 0.0960941800000000, -0.0012559400000000, 0.0875722800000000 ] - [ -0.0005192200000000, -0.0003615200000000, -0.0009463100000000 ] - [ -0.0176381900000000, -0.0016488900000000, 0.0117529900000000 ] - [ 0.0009259500000000, 0.0009346700000000, 0.0003478600000000 ] - [ -0.0037298600000000, -0.0009140800000000, 0.0006063900000000 ] - [ -0.0015938700000000, -0.0003359600000000, -0.0008824400000000 ] - [ -0.0012229900000000, -0.0005074200000000, -0.0033429100000000 ] - [ 0.0011529400000000, -0.0013599400000000, 0.0021480500000000 ] - [ 0.0022514500000000, 0.0006607100000000, 0.0004472100000000 ] - [ 0.0000094700000000, 0.0001211400000000, -0.0000434100000000 ] - [ 0.0000198000000000, -0.0002478400000000, 0.0000536100000000 ] - [ 0.0002696700000000, 0.0010367700000000, 0.0005493900000000 ] - [ 0.0009280300000000, 0.0001048000000000, 0.0000727000000000 ] - [ 0.0051362300000000, -0.0003062500000000, -0.0017635200000000 ] - [ -0.0001803000000000, -0.0001382200000000, 0.0001786800000000 ] - [ 0.0004490700000000, -0.0003059900000000, -0.0006355000000000 ] - [ 0.0005590700000000, -0.0000625600000000, -0.0000822100000000 ] - [ -0.1334563600000000, 0.0086764400000000, -0.1128676300000000 ] - [ 0.0001148400000000, -0.0001921700000000, 0.0001608000000000 ] - [ 0.0007268500000000, -0.0000071700000000, 0.0000092100000000 ] - [ -0.0000654100000000, 0.0002554000000000, 0.0002804300000000 ] - [ -0.0001962200000000, -0.0000465900000000, -0.0003626800000000 ] - [ -0.0006472300000000, 0.0000538700000000, 0.0000881500000000 ] - [ -0.0002570700000000, -0.0009189500000000, 0.0006886400000000 ] - [ 0.0157818800000000, -0.0062712900000000, 0.0000338700000000 ] - [ 0.0002144000000000, 0.0003602300000000, 0.0002522900000000 ] - [ -0.0002583100000000, 0.0002333400000000, 0.0005908100000000 ] - [ 0.0010188200000000, -0.0007364400000000, 0.0006441800000000 ] - [ 0.0001487700000000, 0.0006264300000000, -0.0009725600000000 ] - [ 0.0003412000000000, -0.0006573200000000, 0.0008314300000000 ] - [ 0.0028988600000000, 0.0003348600000000, 0.0102346800000000 ] - [ 0.0002581500000000, -0.0000195100000000, -0.0005141200000000 ] - [ 0.0008297500000000, 0.0003083200000000, -0.0002928900000000 ] - [ 0.0015427900000000, -0.0004376600000000, -0.0000318900000000 ] - [ -0.0007288100000000, 0.0002916100000000, 0.0003794100000000 ] - [ 0.0027094700000000, 0.0008981800000000, -0.0005333700000000 ] - [ -0.0002996300000000, 0.0002632700000000, 0.0003164700000000 ] - [ -0.0000375100000000, -0.0002464500000000, -0.0000057900000000 ] - [ -0.0019829600000000, 0.0063351000000000, 0.0067682700000000 ] - [ 0.0002387400000000, 0.0003291600000000, 0.0001135100000000 ] - [ 0.0000411400000000, -0.0003671900000000, 0.0003691600000000 ] - [ 0.0000542300000000, -0.0002643700000000, -0.0037452900000000 ] - [ 0.0012196800000000, -0.0002047300000000, 0.0001483600000000 ] - [ 0.0030789000000000, -0.0017028600000000, -0.0115624400000000 ] - [ -0.0002449600000000, -0.0002563600000000, 0.0003961200000000 ] - [ 0.0000715600000000, -0.0003131600000000, -0.0001650900000000 ] - [ 0.0095331000000000, 0.0075278800000000, -0.0023672800000000 ] - [ -0.0000095300000000, -0.0001977500000000, 0.0001934900000000 ] - [ -0.0015253700000000, -0.0002083100000000, -0.0002354700000000 ] - [ 0.0003009500000000, -0.0002533400000000, 0.0000388700000000 ] - [ -0.0010705100000000, 0.0010649500000000, 0.0011354000000000 ] - [ -0.0003705500000000, 0.0000831700000000, 0.0000944500000000 ] - [ -0.0015436700000000, 0.0012722000000000, -0.0006899600000000 ] - [ 0.0006822900000000, -0.0001646400000000, 0.0007056300000000 ] - [ 0.0019494400000000, 0.0001373900000000, -0.0008456500000000 ] - [ 0.0036107600000000, -0.0004767400000000, -0.0014586500000000 ] - [ -0.0002716200000000, 0.0002530400000000, 0.0004164700000000 ] - [ 0.0002325700000000, -0.0001964100000000, 0.0000432200000000 ] - [ 0.0002247300000000, -0.0002625000000000, 0.0006029700000000 ] - [ -0.0002676500000000, -0.0006878200000000, 0.0009563500000000 ] - [ 0.0004669500000000, 0.0002109900000000, 0.0012240200000000 ] - [ 0.0237244800000000, -0.0036532000000000, 0.0075062500000000 ] - [ 0.0005740200000000, 0.0001991200000000, 0.0010395400000000 ] - [ 0.0001887300000000, -0.0007780500000000, -0.0000521800000000 ] - [ 0.0001372900000000, -0.0001216000000000, 0.0006833400000000 ] - [ -0.0003414500000000, 0.0001498800000000, -0.0007070300000000 ] - [ -0.0008510500000000, 0.0005667700000000, -0.0014552400000000 ] - [ 0.0001415300000000, -0.0005663400000000, 0.0015622200000000 ] - [ -0.0001893400000000, -0.0001914000000000, 0.0001613500000000 ] - [ -0.0023939100000000, -0.0025202000000000, 0.0000018200000000 ] - [ -0.0038750100000000, -0.0032281300000000, 0.0043033100000000 ] - [ -0.0002034600000000, -0.0000236200000000, 0.0000720400000000 ] - [ 0.0005056300000000, -0.0001769100000000, 0.0011539400000000 ] - [ -0.0006360300000000, -0.0012425500000000, 0.0008031100000000 ] - [ -0.0000075700000000, -0.0006535100000000, -0.0000438200000000 ] - [ -0.0008978500000000, 0.0003798500000000, -0.0004976800000000 ] - [ 0.0015067300000000, 0.0016661100000000, -0.0007334700000000 ] - [ -0.0004106300000000, 0.0009819400000000, -0.0013167100000000 ] - [ -0.0004223500000000, 0.0008074000000000, 0.0016446300000000 ] - [ 0.0003552800000000, -0.0001843700000000, 0.0009274500000000 ] - [ 0.0005930200000000, -0.0002527000000000, 0.0000811800000000 ] - [ -0.0002422300000000, -0.0001486500000000, 0.0003660300000000 ]- atom: 56 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ 0.0004503100000000, -0.0004337700000000, 0.0004985300000000 ] - [ 0.0003434900000000, -0.0003182400000000, 0.0006323500000000 ] - [ -0.0003334600000000, -0.0004809400000000, 0.0000961300000000 ] - [ -0.0001857100000000, -0.0002745500000000, -0.0003368900000000 ] - [ -0.0056222900000000, 0.0019597800000000, 0.0001517400000000 ] - [ -0.0006397700000000, -0.0005931800000000, 0.0009135400000000 ] - [ -0.0002822400000000, -0.0003456400000000, 0.0007628900000000 ] - [ 0.0002957400000000, -0.0002766800000000, 0.0004221300000000 ] - [ 0.0081428500000000, 0.0044498100000000, -0.0022527500000000 ] - [ 0.0013700100000000, -0.0005610800000000, -0.0006647200000000 ] - [ 0.0010410900000000, 0.0010417000000000, -0.0002037800000000 ] - [ 0.0011136300000000, 0.0007663600000000, -0.0006841000000000 ] - [ 0.0015073100000000, 0.0024557300000000, 0.0016328400000000 ] - [ -0.0001805300000000, -0.0008585700000000, 0.0004672600000000 ] - [ 0.0002042200000000, -0.0003641700000000, -0.0001896500000000 ] - [ 0.0002497100000000, -0.0003413100000000, 0.0006622700000000 ] - [ -0.0045083800000000, 0.0003861200000000, -0.0011668600000000 ] - [ 0.0018442400000000, -0.0044721300000000, -0.0040932700000000 ] - [ 0.0010157500000000, -0.0013153700000000, 0.0013885600000000 ] - [ 0.0027622400000000, 0.0002172600000000, 0.0019295300000000 ] - [ -0.0002489600000000, -0.0005365100000000, -0.0004250000000000 ] - [ 0.0001163800000000, -0.0007809700000000, 0.0001306300000000 ] - [ 0.0004340900000000, -0.0001934000000000, 0.0002801600000000 ] - [ -0.0006127400000000, 0.0001309200000000, 0.0002247700000000 ] - [ 0.0020418700000000, -0.0017355400000000, 0.0020881700000000 ] - [ 0.0001214000000000, 0.0007454300000000, -0.0011025500000000 ] - [ 0.0000664400000000, 0.0000303500000000, 0.0006468600000000 ] - [ -0.0002161100000000, -0.0003125500000000, 0.0005708200000000 ] - [ 0.0019446700000000, 0.0007972100000000, -0.0007413100000000 ] - [ -0.0035499400000000, -0.0013874600000000, -0.0010705600000000 ] - [ -0.0037093800000000, 0.0019737400000000, -0.0008136900000000 ] - [ -0.0003789900000000, 0.0027147300000000, -0.0016321100000000 ] - [ 0.0005465900000000, -0.0004065400000000, 0.0008966600000000 ] - [ -0.0019290100000000, 0.0002365400000000, 0.0012573400000000 ] - [ 0.0007443700000000, 0.0001168000000000, 0.0004611800000000 ] - [ -0.0006009300000000, -0.0001505200000000, 0.0016235400000000 ] - [ -0.0009847700000000, 0.0009772700000000, -0.0001401200000000 ] - [ 0.0016609700000000, 0.0003283500000000, 0.0014724500000000 ] - [ -0.0949070300000000, 0.0018670800000000, -0.0839357000000000 ] - [ -0.0003063000000000, -0.0004451300000000, 0.0002995800000000 ] - [ 0.0193864700000000, -0.0002339200000000, -0.0101695900000000 ] - [ 0.0007216200000000, 0.0009272300000000, 0.0012829800000000 ] - [ 0.0020998300000000, -0.0009499200000000, -0.0022322900000000 ] - [ -0.0003369700000000, -0.0003118700000000, 0.0007233700000000 ] - [ 0.0031335800000000, -0.0001439200000000, 0.0034609700000000 ] - [ -0.0009527700000000, 0.0010400200000000, -0.0031818400000000 ] - [ -0.0014494600000000, 0.0001404800000000, 0.0002426200000000 ] - [ 0.0001776700000000, 0.0001940100000000, -0.0009617300000000 ] - [ -0.0005614000000000, -0.0002286300000000, -0.0000455100000000 ] - [ 0.0009310800000000, -0.0011458900000000, -0.0011491200000000 ] - [ -0.0002041100000000, 0.0000639800000000, 0.0010316900000000 ] - [ -0.0049282200000000, -0.0001976100000000, 0.0017879900000000 ] - [ -0.0005428000000000, -0.0000296500000000, -0.0012760300000000 ] - [ -0.0002855600000000, 0.0007711900000000, 0.0003763200000000 ] - [ -0.0000850600000000, -0.0000952300000000, -0.0001092400000000 ] - [ 0.1316713500000000, -0.0071082200000000, 0.1091238800000000 ] - [ -0.0001728400000000, -0.0003847900000000, -0.0003844600000000 ] - [ 0.0004693300000000, 0.0001084400000000, -0.0005982500000000 ] - [ 0.0002628800000000, 0.0002518700000000, -0.0002622700000000 ] - [ -0.0008261600000000, -0.0005873900000000, 0.0003469000000000 ] - [ 0.0013761600000000, -0.0002197100000000, 0.0010218900000000 ] - [ -0.0002512500000000, -0.0008228000000000, 0.0002328100000000 ] - [ -0.0167456800000000, 0.0065120600000000, -0.0004597900000000 ] - [ -0.0000222700000000, 0.0001704800000000, -0.0003835000000000 ] - [ -0.0002504600000000, 0.0003248500000000, -0.0007420900000000 ] - [ -0.0002213900000000, 0.0003638600000000, 0.0010949500000000 ] - [ -0.0000159200000000, -0.0001329300000000, 0.0012511000000000 ] - [ 0.0000312400000000, -0.0006514600000000, 0.0000931200000000 ] - [ -0.0033162400000000, 0.0000458700000000, -0.0113252900000000 ] - [ -0.0009832600000000, 0.0001871400000000, -0.0005915900000000 ] - [ 0.0001684400000000, 0.0003238500000000, 0.0003155700000000 ] - [ -0.0008514900000000, 0.0004852100000000, 0.0003882200000000 ] - [ 0.0012424800000000, 0.0002674100000000, -0.0002250300000000 ] - [ -0.0028526300000000, -0.0003982100000000, 0.0002469600000000 ] - [ -0.0001587600000000, 0.0003320000000000, -0.0001921400000000 ] - [ 0.0001971000000000, -0.0002151300000000, -0.0002521200000000 ] - [ 0.0018009100000000, -0.0058293400000000, -0.0075806700000000 ] - [ 0.0002155100000000, 0.0002676500000000, -0.0002331100000000 ] - [ 0.0000168800000000, -0.0002096600000000, -0.0001428300000000 ] - [ 0.0004464300000000, 0.0007352000000000, 0.0037450400000000 ] - [ -0.0017218800000000, -0.0003521700000000, -0.0003019700000000 ] - [ -0.0038742500000000, 0.0013536000000000, 0.0099181200000000 ] - [ 0.0000852300000000, -0.0002054500000000, -0.0001339100000000 ] - [ -0.0002284800000000, -0.0000962700000000, -0.0007445000000000 ] - [ -0.0101641800000000, -0.0059328000000000, 0.0033108000000000 ] - [ 0.0001397300000000, -0.0003003000000000, 0.0000828700000000 ] - [ 0.0019941800000000, -0.0003878600000000, 0.0001031500000000 ] - [ 0.0002389900000000, -0.0002229500000000, -0.0000454500000000 ] - [ 0.0005337900000000, -0.0005865800000000, -0.0011244700000000 ] - [ -0.0003250800000000, -0.0001340300000000, -0.0004452200000000 ] - [ 0.0015647200000000, -0.0007347500000000, 0.0008894100000000 ] - [ -0.0008815700000000, -0.0003681300000000, -0.0005690900000000 ] - [ -0.0021558500000000, -0.0006470000000000, 0.0008311100000000 ] - [ -0.0037601900000000, 0.0009346500000000, 0.0016958000000000 ] - [ 0.0000718000000000, 0.0002537000000000, -0.0004280400000000 ] - [ -0.0006772700000000, -0.0001881100000000, -0.0011105300000000 ] - [ 0.0004717100000000, 0.0002097800000000, -0.0002483000000000 ] - [ 0.0007467100000000, 0.0008419800000000, -0.0011439400000000 ] - [ 0.0003492600000000, 0.0001560800000000, 0.0005256000000000 ] - [ -0.0235561200000000, 0.0029569300000000, -0.0071987700000000 ] - [ -0.0001304800000000, 0.0001861800000000, 0.0000289300000000 ] - [ 0.0003204100000000, -0.0009636700000000, -0.0008660800000000 ] - [ 0.0000199400000000, -0.0002883100000000, 0.0002278200000000 ] - [ -0.0004731500000000, 0.0002174400000000, -0.0010381000000000 ] - [ 0.0003437300000000, -0.0004141200000000, 0.0016700300000000 ] - [ -0.0003337200000000, 0.0011026300000000, -0.0014342300000000 ] - [ 0.0000592700000000, -0.0003054900000000, -0.0004327700000000 ] - [ 0.0025067100000000, 0.0029737500000000, 0.0008728300000000 ] - [ 0.0037832300000000, 0.0037406300000000, -0.0044406300000000 ] - [ -0.0002715900000000, -0.0001326400000000, 0.0001187000000000 ] - [ -0.0000582200000000, -0.0002083300000000, -0.0000832300000000 ] - [ 0.0008371500000000, 0.0007191600000000, -0.0009449900000000 ] - [ -0.0003633000000000, -0.0006561700000000, -0.0008762200000000 ] - [ -0.0001065900000000, 0.0002529600000000, 0.0004814600000000 ] - [ -0.0010012000000000, 0.0000838100000000, -0.0001834700000000 ] - [ 0.0000300700000000, 0.0003296000000000, 0.0003766800000000 ] - [ -0.0007733100000000, -0.0007113800000000, -0.0010588900000000 ] - [ -0.0015566700000000, 0.0000858000000000, -0.0003356200000000 ] - [ -0.0000878700000000, -0.0003054500000000, 0.0000728800000000 ] - [ 0.0012492800000000, -0.0004841400000000, -0.0003425300000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001376300000000, -0.0002245300000000, -0.0000112000000000 ] - [ 0.0000911500000000, -0.0003588100000000, 0.0002317100000000 ] - [ 0.0003583800000000, -0.0004244300000000, -0.0002357400000000 ] - [ -0.0004370600000000, -0.0003500400000000, -0.0002664100000000 ] - [ 0.0026053000000000, 0.0186404700000000, 0.0093957800000000 ] - [ -0.0000884700000000, -0.0004818100000000, 0.0005661000000000 ] - [ -0.0002510300000000, -0.0004898300000000, 0.0003349600000000 ] - [ 0.0000656500000000, -0.0002297800000000, 0.0000576300000000 ] - [ 0.0009073800000000, 0.0018397500000000, -0.0004416700000000 ] - [ -0.0001940700000000, -0.0000590000000000, -0.0000892100000000 ] - [ 0.0000115100000000, 0.0011199800000000, 0.0005402600000000 ] - [ -0.0013601300000000, -0.0002389100000000, 0.0011504400000000 ] - [ -0.0023349900000000, -0.0027025700000000, -0.0022773700000000 ] - [ -0.0001117200000000, -0.0008160600000000, 0.0001021900000000 ] - [ 0.0001411100000000, -0.0003226400000000, -0.0003262000000000 ] - [ 0.0003324500000000, -0.0004465500000000, 0.0003264200000000 ] - [ -0.0026788200000000, 0.0220047700000000, -0.0110788900000000 ] - [ 0.0024429200000000, -0.0000060900000000, 0.0000563800000000 ] - [ 0.0020451700000000, -0.0020843000000000, 0.0011079700000000 ] - [ -0.0006893200000000, -0.0007187100000000, -0.0006547500000000 ] - [ 0.0002378900000000, -0.0008683100000000, -0.0004075000000000 ] - [ 0.0001164600000000, -0.0008545800000000, -0.0000449600000000 ] - [ -0.0000725900000000, -0.0003213900000000, -0.0002608900000000 ] - [ -0.0001251900000000, 0.0001616300000000, -0.0001836300000000 ] - [ 0.0004048400000000, -0.0007030200000000, 0.0007858600000000 ] - [ 0.0001427900000000, 0.0002866400000000, -0.0004727300000000 ] - [ 0.0000916800000000, 0.0001269700000000, 0.0001580400000000 ] - [ -0.0001167000000000, -0.0003134000000000, 0.0003215100000000 ] - [ 0.0002747600000000, 0.0007424600000000, -0.0002544200000000 ] - [ 0.0025033600000000, -0.0008851500000000, -0.0017251200000000 ] - [ -0.0027603600000000, 0.0010255400000000, 0.0011356200000000 ] - [ 0.0001705200000000, -0.0005274600000000, 0.0003939200000000 ] - [ 0.0004059300000000, -0.0004019700000000, 0.0003400500000000 ] - [ -0.0009632800000000, -0.0020041600000000, -0.0001886000000000 ] - [ -0.0003427800000000, 0.0000456700000000, 0.0004915200000000 ] - [ -0.0003249600000000, -0.0024294700000000, 0.0002022200000000 ] - [ -0.0008308600000000, 0.0009578100000000, -0.0008112400000000 ] - [ 0.0010331200000000, 0.0016814200000000, -0.0000271200000000 ] - [ -0.0034279900000000, 0.0364722400000000, -0.0061230900000000 ] - [ -0.0004233400000000, -0.0004320900000000, -0.0003084100000000 ] - [ 0.0001671600000000, 0.0083895300000000, -0.0002245300000000 ] - [ 0.0008260400000000, 0.0009557200000000, 0.0008237100000000 ] - [ -0.0010368000000000, -0.0015877300000000, -0.0008214400000000 ] - [ -0.0009712400000000, -0.0004513900000000, -0.0001171600000000 ] - [ 0.0008428100000000, -0.0011808800000000, -0.0000722300000000 ] - [ -0.0004319200000000, 0.0057363600000000, -0.0009665700000000 ] - [ 0.0004758800000000, -0.0131312900000000, 0.0003535500000000 ] - [ -0.0000802600000000, 0.0002312400000000, -0.0005459400000000 ] - [ -0.0002212400000000, -0.0001752800000000, -0.0000285200000000 ] - [ 0.0000662500000000, 0.0005887800000000, 0.0004745900000000 ] - [ 0.0004015700000000, -0.0001139100000000, 0.0006352800000000 ] - [ -0.0005542500000000, -0.0013898900000000, 0.0003800300000000 ] - [ -0.0003656500000000, 0.0003548500000000, -0.0005895100000000 ] - [ -0.0000196600000000, 0.0004047300000000, -0.0000762900000000 ] - [ 0.0002751600000000, -0.0000872100000000, -0.0001305400000000 ] - [ 0.0085977800000000, -0.0978265300000000, 0.0069564000000000 ] - [ -0.0000125800000000, -0.0002857400000000, -0.0001048600000000 ] - [ 0.0005830300000000, 0.0000869500000000, -0.0002718300000000 ] - [ 0.0000926700000000, 0.0002677500000000, 0.0000133400000000 ] - [ -0.0004925400000000, -0.0013021500000000, 0.0001704900000000 ] - [ 0.0004279200000000, -0.0007993700000000, 0.0005993800000000 ] - [ -0.0002562200000000, -0.0008836200000000, 0.0004402200000000 ] - [ -0.0090326200000000, -0.0011732400000000, 0.0008257500000000 ] - [ 0.0000942900000000, 0.0002908100000000, -0.0000810200000000 ] - [ -0.0003485900000000, -0.0001964400000000, -0.0000076900000000 ] - [ 0.0003796700000000, 0.0011388900000000, 0.0010334000000000 ] - [ 0.0002993200000000, 0.0003225600000000, -0.0001995900000000 ] - [ 0.0001896300000000, -0.0006452900000000, 0.0004532300000000 ] - [ 0.0000282400000000, -0.0034878500000000, -0.0001683600000000 ] - [ -0.0002763400000000, 0.0003394600000000, -0.0004628300000000 ] - [ 0.0007231400000000, 0.0006689900000000, -0.0001923400000000 ] - [ 0.0003553500000000, 0.0002925000000000, 0.0003232700000000 ] - [ 0.0001674100000000, 0.0009393400000000, 0.0001940900000000 ] - [ -0.0003728100000000, 0.0000527900000000, -0.0002341000000000 ] - [ -0.0002184900000000, 0.0003046900000000, 0.0000540400000000 ] - [ 0.0000802400000000, -0.0001992900000000, -0.0001116400000000 ] - [ 0.0077493900000000, 0.0038951200000000, 0.0138101000000000 ] - [ 0.0002336800000000, 0.0003040200000000, -0.0000684800000000 ] - [ 0.0000306100000000, -0.0002830400000000, 0.0001025000000000 ] - [ -0.0026346500000000, -0.0012240700000000, 0.0042384600000000 ] - [ -0.0002906200000000, -0.0002458900000000, -0.0000817800000000 ] - [ -0.0016800300000000, -0.0038125300000000, 0.0006437600000000 ] - [ -0.0000802000000000, -0.0002323900000000, 0.0001264100000000 ] - [ -0.0000917800000000, -0.0001888800000000, -0.0004747200000000 ] - [ 0.0068427600000000, 0.0017246500000000, -0.0012638000000000 ] - [ 0.0000610000000000, -0.0002342400000000, 0.0000074500000000 ] - [ 0.0000743400000000, 0.0021987900000000, -0.0001677600000000 ] - [ 0.0003180900000000, -0.0002710100000000, -0.0000234500000000 ] - [ -0.0008775800000000, 0.0018631700000000, 0.0014793900000000 ] - [ -0.0003569100000000, -0.0000374800000000, -0.0001776700000000 ] - [ 0.0058075600000000, 0.0157428000000000, 0.0029838900000000 ] - [ -0.0007742600000000, -0.0008280900000000, -0.0004437800000000 ] - [ 0.0000233600000000, 0.0005236600000000, 0.0000650600000000 ] - [ -0.0001111200000000, -0.0000443900000000, 0.0003551900000000 ] - [ -0.0001004100000000, 0.0002422400000000, -0.0000165400000000 ] - [ -0.0002071900000000, -0.0003723500000000, -0.0004914100000000 ] - [ 0.0003270700000000, -0.0000476300000000, 0.0001952900000000 ] - [ 0.0007236400000000, 0.0019078100000000, -0.0014618000000000 ] - [ 0.0004075400000000, 0.0001748000000000, 0.0008643300000000 ] - [ -0.0041989200000000, -0.0062449400000000, -0.0008218800000000 ] - [ 0.0001884000000000, 0.0003722600000000, 0.0004974300000000 ] - [ 0.0002672700000000, -0.0008902300000000, -0.0004948500000000 ] - [ 0.0000807300000000, -0.0002150400000000, 0.0004408100000000 ] - [ -0.0004039600000000, 0.0001823500000000, -0.0008654000000000 ] - [ 0.0019840600000000, -0.0010039000000000, -0.0033664800000000 ] - [ -0.0000239700000000, 0.0000682600000000, 0.0003656500000000 ] - [ -0.0000708200000000, -0.0002535500000000, -0.0001868400000000 ] - [ -0.0059570100000000, 0.0205334100000000, -0.0043670700000000 ] - [ -0.0050385000000000, 0.0009048900000000, -0.0099923200000000 ] - [ -0.0002128700000000, -0.0000867800000000, 0.0000694600000000 ] - [ 0.0002354000000000, 0.0001357700000000, 0.0005556700000000 ] - [ 0.0007719800000000, 0.0001329300000000, -0.0005889400000000 ] - [ -0.0001862800000000, -0.0006708600000000, -0.0004664700000000 ] - [ -0.0003107600000000, 0.0001186200000000, -0.0000949300000000 ] - [ 0.0004725100000000, 0.0011323500000000, -0.0006155600000000 ] - [ -0.0005059200000000, 0.0040170200000000, -0.0012799900000000 ] - [ -0.0006699400000000, -0.0001554600000000, 0.0000120000000000 ] - [ 0.0002995700000000, -0.0006335800000000, 0.0010006100000000 ] - [ 0.0002793000000000, -0.0002245000000000, 0.0000783700000000 ] - [ 0.0005120600000000, 0.0001667400000000, 0.0000868700000000 ]- atom: 56 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000075300000000, -0.0002741400000000, -0.0000516800000000 ] - [ 0.0001256100000000, -0.0003527000000000, 0.0002578700000000 ] - [ 0.0001721600000000, -0.0005346400000000, -0.0003468200000000 ] - [ -0.0002891200000000, -0.0004929200000000, -0.0003242200000000 ] - [ -0.0025985600000000, -0.0187592300000000, -0.0098337900000000 ] - [ -0.0002015600000000, -0.0007098300000000, 0.0004399400000000 ] - [ -0.0002832600000000, -0.0004666800000000, 0.0002474900000000 ] - [ 0.0000875400000000, -0.0002698700000000, 0.0000263000000000 ] - [ -0.0011081200000000, -0.0001832900000000, 0.0005867600000000 ] - [ 0.0000493200000000, -0.0002374900000000, -0.0002243500000000 ] - [ -0.0003020800000000, 0.0000725800000000, 0.0004575900000000 ] - [ 0.0020647600000000, 0.0010873600000000, -0.0005430200000000 ] - [ 0.0021215400000000, 0.0034318700000000, 0.0017944700000000 ] - [ -0.0001096400000000, -0.0008250700000000, 0.0000611700000000 ] - [ 0.0000973000000000, -0.0003086400000000, -0.0003041700000000 ] - [ 0.0003925900000000, -0.0003979000000000, 0.0002703200000000 ] - [ 0.0025515900000000, -0.0205736000000000, 0.0101226500000000 ] - [ -0.0026983500000000, 0.0006083300000000, 0.0005657400000000 ] - [ -0.0021920300000000, 0.0025633200000000, -0.0011859600000000 ] - [ 0.0008320100000000, 0.0004130600000000, 0.0009639100000000 ] - [ 0.0000530300000000, -0.0003223000000000, -0.0005919200000000 ] - [ 0.0001051900000000, -0.0007836700000000, -0.0001120300000000 ] - [ -0.0001514900000000, -0.0003913100000000, -0.0002385000000000 ] - [ -0.0000144400000000, 0.0001427800000000, -0.0001202600000000 ] - [ -0.0009341000000000, 0.0016641300000000, -0.0002019100000000 ] - [ 0.0001464400000000, 0.0009045600000000, -0.0005309700000000 ] - [ 0.0000528100000000, 0.0001743600000000, 0.0001571300000000 ] - [ -0.0001226600000000, -0.0003178400000000, 0.0003134200000000 ] - [ 0.0002623200000000, 0.0002099400000000, -0.0003258600000000 ] - [ -0.0022629700000000, 0.0015340900000000, 0.0010774000000000 ] - [ 0.0020309200000000, -0.0001880500000000, -0.0017238700000000 ] - [ 0.0000608200000000, 0.0021659600000000, -0.0005632000000000 ] - [ 0.0004225200000000, -0.0004032300000000, 0.0003071200000000 ] - [ -0.0009726300000000, 0.0026513700000000, 0.0000328100000000 ] - [ 0.0001529200000000, 0.0002678300000000, 0.0005080900000000 ] - [ 0.0001409200000000, 0.0021107200000000, 0.0007981500000000 ] - [ -0.0008162200000000, 0.0009040900000000, -0.0008205100000000 ] - [ 0.0009048500000000, -0.0010309200000000, 0.0001918600000000 ] - [ 0.0018040900000000, -0.0355689200000000, 0.0043678000000000 ] - [ -0.0004054100000000, -0.0003737700000000, -0.0003301600000000 ] - [ 0.0014633100000000, -0.0102662300000000, 0.0018108900000000 ] - [ 0.0008204400000000, 0.0009067000000000, 0.0008160400000000 ] - [ -0.0006204800000000, -0.0002723300000000, -0.0008333500000000 ] - [ -0.0009634300000000, -0.0001957200000000, -0.0000373900000000 ] - [ 0.0010823900000000, 0.0005301700000000, 0.0002061800000000 ] - [ 0.0006157700000000, -0.0060405400000000, -0.0000320600000000 ] - [ 0.0003771300000000, 0.0139286900000000, 0.0002153000000000 ] - [ 0.0002641000000000, 0.0000828000000000, -0.0004439900000000 ] - [ -0.0003144500000000, -0.0002972400000000, 0.0000288700000000 ] - [ 0.0011467100000000, -0.0006885800000000, -0.0010693200000000 ] - [ 0.0003200100000000, 0.0002816800000000, 0.0004554700000000 ] - [ 0.0007452100000000, 0.0008853300000000, -0.0003554900000000 ] - [ -0.0003569500000000, -0.0005217100000000, -0.0005073700000000 ] - [ 0.0001794800000000, 0.0000525000000000, -0.0001781500000000 ] - [ 0.0002023100000000, -0.0000726700000000, -0.0000637100000000 ] - [ -0.0071821600000000, 0.0990721900000000, -0.0031137700000000 ] - [ -0.0000453700000000, -0.0002934800000000, -0.0001191100000000 ] - [ 0.0006146500000000, 0.0000153900000000, -0.0003170300000000 ] - [ 0.0001046100000000, 0.0002392600000000, 0.0000014000000000 ] - [ -0.0005014300000000, 0.0006724000000000, -0.0001960100000000 ] - [ 0.0002910600000000, 0.0006300100000000, 0.0004907800000000 ] - [ -0.0002547100000000, -0.0008562000000000, 0.0004751500000000 ] - [ 0.0082858000000000, 0.0012141500000000, -0.0011759800000000 ] - [ 0.0000997100000000, 0.0002385000000000, -0.0000502500000000 ] - [ -0.0001609900000000, 0.0007522800000000, -0.0001452700000000 ] - [ 0.0004561200000000, -0.0015026400000000, 0.0007175400000000 ] - [ -0.0001677300000000, 0.0001787700000000, 0.0004780000000000 ] - [ 0.0001838700000000, -0.0006626900000000, 0.0004630100000000 ] - [ -0.0004571300000000, 0.0038689000000000, -0.0008703500000000 ] - [ -0.0004430100000000, -0.0001701300000000, -0.0006297600000000 ] - [ 0.0002785600000000, -0.0000382100000000, 0.0002131400000000 ] - [ 0.0003408300000000, -0.0002309200000000, 0.0000374800000000 ] - [ 0.0003405800000000, -0.0003810000000000, -0.0000435500000000 ] - [ 0.0002434700000000, 0.0004401300000000, -0.0000379300000000 ] - [ -0.0002374500000000, 0.0002943600000000, 0.0000645500000000 ] - [ 0.0000819800000000, -0.0002628300000000, -0.0001479600000000 ] - [ -0.0078560500000000, -0.0034496800000000, -0.0145567700000000 ] - [ 0.0002223200000000, 0.0002942200000000, -0.0000521400000000 ] - [ 0.0000278600000000, -0.0002933900000000, 0.0001168700000000 ] - [ 0.0031915600000000, 0.0017031700000000, -0.0042590400000000 ] - [ -0.0002225400000000, -0.0003104300000000, -0.0000691800000000 ] - [ 0.0009142900000000, 0.0034286700000000, -0.0024223800000000 ] - [ -0.0000808200000000, -0.0002285700000000, 0.0001294500000000 ] - [ -0.0000641500000000, -0.0002211500000000, -0.0004326700000000 ] - [ -0.0074223900000000, 0.0000020900000000, 0.0021956400000000 ] - [ 0.0000699900000000, -0.0002625700000000, 0.0002657100000000 ] - [ 0.0003679000000000, -0.0028009900000000, 0.0000697700000000 ] - [ 0.0002204300000000, -0.0002069300000000, 0.0000163800000000 ] - [ 0.0003415300000000, -0.0013916300000000, -0.0014767500000000 ] - [ -0.0003396600000000, -0.0000185300000000, -0.0001792800000000 ] - [ -0.0056525500000000, -0.0150340700000000, -0.0027629600000000 ] - [ 0.0005759000000000, 0.0002976200000000, 0.0005699600000000 ] - [ -0.0002190200000000, -0.0010315700000000, -0.0000781500000000 ] - [ -0.0000591500000000, 0.0005109800000000, -0.0000892000000000 ] - [ -0.0000961800000000, 0.0002644700000000, -0.0000033600000000 ] - [ -0.0002398900000000, -0.0000123700000000, -0.0005817300000000 ] - [ 0.0003692900000000, -0.0000069600000000, 0.0001577300000000 ] - [ -0.0002443900000000, -0.0017400200000000, 0.0012624500000000 ] - [ 0.0004050800000000, 0.0001919400000000, 0.0008768900000000 ] - [ 0.0036983100000000, 0.0056728900000000, 0.0009291400000000 ] - [ 0.0002567700000000, 0.0000122200000000, 0.0005733300000000 ] - [ 0.0002425600000000, -0.0008498100000000, -0.0004246400000000 ] - [ 0.0000762100000000, -0.0001987000000000, 0.0004624000000000 ] - [ -0.0004088200000000, 0.0001852900000000, -0.0008788400000000 ] - [ -0.0024425000000000, 0.0011601200000000, 0.0035309700000000 ] - [ -0.0001718700000000, 0.0004660400000000, -0.0002402300000000 ] - [ -0.0000597200000000, -0.0002438700000000, -0.0000908900000000 ] - [ 0.0062332200000000, -0.0203874700000000, 0.0053013600000000 ] - [ 0.0049970400000000, -0.0003315100000000, 0.0098838500000000 ] - [ -0.0002622100000000, -0.0000687400000000, 0.0001206700000000 ] - [ 0.0002079700000000, -0.0005188200000000, 0.0005112800000000 ] - [ -0.0005646900000000, -0.0006688600000000, 0.0004511600000000 ] - [ -0.0001887100000000, -0.0006364700000000, -0.0004521800000000 ] - [ -0.0006880200000000, 0.0005111200000000, 0.0000681000000000 ] - [ 0.0000390600000000, 0.0006000300000000, -0.0002970900000000 ] - [ 0.0001457400000000, -0.0027152400000000, 0.0004097600000000 ] - [ -0.0005319000000000, 0.0002527100000000, 0.0005703600000000 ] - [ -0.0014996900000000, 0.0005310000000000, -0.0004142200000000 ] - [ 0.0002291900000000, -0.0003319000000000, 0.0000728200000000 ] - [ 0.0004888400000000, -0.0007957900000000, -0.0000651500000000 ]- atom: 56 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ -0.0006637400000000, 0.0003019600000000, -0.0011337400000000 ] - [ 0.0000236900000000, -0.0004361100000000, -0.0011185900000000 ] - [ 0.0004207800000000, 0.0001478000000000, -0.0020176100000000 ] - [ -0.0000259700000000, -0.0000975600000000, -0.0016700100000000 ] - [ 0.0004332500000000, 0.0070076700000000, 0.0103668100000000 ] - [ -0.0001265200000000, -0.0006105400000000, -0.0010409000000000 ] - [ -0.0003897800000000, -0.0007550700000000, -0.0010459700000000 ] - [ 0.0000562200000000, -0.0002028000000000, -0.0013231200000000 ] - [ 0.0012841100000000, 0.0012919300000000, 0.0019654800000000 ] - [ 0.0006576700000000, -0.0005635600000000, 0.0004034400000000 ] - [ 0.0000999400000000, 0.0007940800000000, 0.0022171000000000 ] - [ 0.0023593200000000, 0.0019463600000000, 0.0018277700000000 ] - [ -0.0025005900000000, -0.0028343500000000, -0.0020946400000000 ] - [ -0.0001596900000000, -0.0007850300000000, -0.0012514200000000 ] - [ 0.0003414700000000, -0.0003726100000000, -0.0012179100000000 ] - [ 0.0004328100000000, -0.0003393900000000, -0.0011343300000000 ] - [ 0.0002424100000000, -0.0084068700000000, 0.0107935600000000 ] - [ 0.0025309000000000, -0.0014770400000000, 0.0030203500000000 ] - [ -0.0032390200000000, 0.0034681800000000, -0.0010936800000000 ] - [ 0.0003030000000000, 0.0000463300000000, 0.0029039300000000 ] - [ 0.0003472400000000, -0.0003921100000000, -0.0013514000000000 ] - [ 0.0001553300000000, -0.0008012500000000, -0.0012659400000000 ] - [ -0.0007337700000000, -0.0008538600000000, -0.0013727900000000 ] - [ 0.0000386600000000, -0.0004711400000000, -0.0018487000000000 ] - [ -0.0002075700000000, -0.0001399100000000, 0.0025277500000000 ] - [ 0.0004678500000000, 0.0007150200000000, -0.0010218300000000 ] - [ -0.0000545600000000, 0.0003778200000000, -0.0012258200000000 ] - [ -0.0000917100000000, -0.0004662300000000, -0.0008547900000000 ] - [ 0.0008930100000000, 0.0008233200000000, 0.0003035600000000 ] - [ 0.0013347000000000, -0.0038846800000000, -0.0010200800000000 ] - [ 0.0015542400000000, 0.0023120100000000, -0.0035077900000000 ] - [ 0.0002418500000000, 0.0015520600000000, 0.0010331100000000 ] - [ 0.0005364700000000, -0.0004451800000000, -0.0015648000000000 ] - [ -0.0018247300000000, 0.0000562600000000, -0.0001179100000000 ] - [ 0.0007196800000000, 0.0002369800000000, 0.0007830600000000 ] - [ -0.0000705300000000, 0.0003517300000000, -0.0019838400000000 ] - [ -0.0007645100000000, 0.0008368500000000, -0.0028009700000000 ] - [ 0.0004118100000000, 0.0003760500000000, -0.0017460800000000 ] - [ 0.0367577300000000, -0.0018797400000000, 0.0883562500000000 ] - [ -0.0003545300000000, -0.0003728400000000, -0.0023731600000000 ] - [ 0.0141388400000000, -0.0004528400000000, 0.0094304000000000 ] - [ 0.0010991300000000, 0.0009738300000000, -0.0012094000000000 ] - [ -0.0000480700000000, -0.0013349600000000, 0.0022481500000000 ] - [ -0.0010720600000000, -0.0004025300000000, -0.0016100600000000 ] - [ -0.0027863300000000, -0.0006679200000000, -0.0054887600000000 ] - [ 0.0026065500000000, 0.0005135200000000, -0.0067690700000000 ] - [ -0.0014738700000000, -0.0000690900000000, 0.0091953800000000 ] - [ 0.0009035000000000, 0.0001180300000000, -0.0027531200000000 ] - [ -0.0003947900000000, -0.0002307400000000, 0.0003380100000000 ] - [ 0.0009501000000000, 0.0001668700000000, -0.0012477100000000 ] - [ 0.0001247800000000, 0.0000032800000000, 0.0015555500000000 ] - [ -0.0020274100000000, -0.0000252000000000, -0.0015835600000000 ] - [ 0.0002117400000000, -0.0002957300000000, 0.0010266300000000 ] - [ -0.0005914900000000, 0.0011018000000000, -0.0003205400000000 ] - [ 0.0000520800000000, -0.0002765000000000, 0.0000428700000000 ] - [ -0.0385822500000000, 0.0015705200000000, -0.1385566000000000 ] - [ -0.0000459900000000, 0.0000010300000000, 0.0008531600000000 ] - [ 0.0005729900000000, -0.0001851300000000, 0.0004912000000000 ] - [ -0.0001336400000000, 0.0003043700000000, 0.0013757100000000 ] - [ -0.0024445700000000, -0.0007922000000000, 0.0011563600000000 ] - [ 0.0006057300000000, -0.0000163900000000, 0.0025954500000000 ] - [ -0.0002282300000000, -0.0010314900000000, 0.0014128500000000 ] - [ -0.0028090300000000, 0.0031150500000000, -0.0056784200000000 ] - [ 0.0000441200000000, 0.0005648200000000, 0.0007181000000000 ] - [ -0.0000789600000000, 0.0002971500000000, 0.0009592800000000 ] - [ -0.0008543400000000, 0.0000207600000000, -0.0009143900000000 ] - [ -0.0008647800000000, -0.0004670200000000, 0.0001581600000000 ] - [ 0.0004461200000000, -0.0006516700000000, 0.0017111700000000 ] - [ 0.0079197300000000, 0.0002436200000000, 0.0147287700000000 ] - [ -0.0004187400000000, 0.0000765700000000, -0.0011661000000000 ] - [ -0.0001786300000000, 0.0001781400000000, 0.0000437900000000 ] - [ 0.0002178000000000, -0.0005331600000000, -0.0010492800000000 ] - [ 0.0007196700000000, 0.0004090300000000, 0.0002490700000000 ] - [ -0.0013408100000000, 0.0001354500000000, -0.0015702200000000 ] - [ -0.0005200800000000, 0.0001627100000000, 0.0009157800000000 ] - [ -0.0001463000000000, -0.0000584900000000, 0.0006612500000000 ] - [ 0.0081476800000000, 0.0076799900000000, 0.0079714200000000 ] - [ -0.0001630000000000, 0.0004114100000000, 0.0007049100000000 ] - [ -0.0001084100000000, -0.0006446200000000, 0.0011007100000000 ] - [ -0.0054410800000000, 0.0024035700000000, 0.0059597100000000 ] - [ 0.0015457700000000, -0.0001786600000000, 0.0003348100000000 ] - [ -0.0127205400000000, 0.0015407400000000, 0.0089993500000000 ] - [ -0.0001538300000000, -0.0001905900000000, 0.0011286900000000 ] - [ 0.0000456600000000, -0.0005050000000000, 0.0003985700000000 ] - [ -0.0044651400000000, -0.0024787500000000, -0.0029242200000000 ] - [ -0.0000972100000000, -0.0005452800000000, 0.0011568900000000 ] - [ 0.0014599700000000, 0.0006498500000000, -0.0024159400000000 ] - [ 0.0001074000000000, 0.0002468400000000, 0.0010975800000000 ] - [ -0.0007957800000000, 0.0013070800000000, 0.0014153400000000 ] - [ -0.0003727700000000, 0.0004367700000000, 0.0008682100000000 ] - [ -0.0013669400000000, -0.0046283000000000, -0.0045081200000000 ] - [ 0.0009077800000000, 0.0000054300000000, 0.0006041600000000 ] - [ -0.0005466500000000, -0.0005708200000000, -0.0014377000000000 ] - [ -0.0011311100000000, 0.0003580400000000, -0.0013325900000000 ] - [ -0.0002909400000000, 0.0002153800000000, 0.0012186600000000 ] - [ 0.0002009000000000, -0.0002297700000000, 0.0007199900000000 ] - [ 0.0003380700000000, -0.0006101500000000, 0.0012493800000000 ] - [ -0.0003341100000000, -0.0015719700000000, 0.0019075700000000 ] - [ 0.0006987700000000, 0.0002660200000000, 0.0019644400000000 ] - [ -0.0037116600000000, -0.0001226700000000, -0.0095275500000000 ] - [ 0.0006236700000000, 0.0001896000000000, 0.0009983200000000 ] - [ 0.0002933400000000, -0.0006409800000000, 0.0005953200000000 ] - [ 0.0000749500000000, 0.0001400600000000, 0.0012938500000000 ] - [ -0.0002272300000000, 0.0001504500000000, 0.0002048500000000 ] - [ -0.0040928200000000, -0.0020958100000000, 0.0049017500000000 ] - [ 0.0005153900000000, -0.0010099400000000, 0.0021571200000000 ] - [ -0.0000154000000000, -0.0002531300000000, 0.0009673200000000 ] - [ -0.0005438500000000, 0.0046360200000000, -0.0050267900000000 ] - [ 0.0074974700000000, -0.0051084800000000, 0.0075439700000000 ] - [ -0.0004947900000000, -0.0004645900000000, 0.0009851800000000 ] - [ 0.0005579000000000, -0.0001285700000000, 0.0008123800000000 ] - [ 0.0003545900000000, 0.0000737700000000, -0.0011736500000000 ] - [ 0.0001016800000000, -0.0006623700000000, 0.0005910700000000 ] - [ -0.0009357900000000, 0.0004791900000000, 0.0016038300000000 ] - [ 0.0001955600000000, 0.0012442400000000, -0.0017876800000000 ] - [ -0.0008386200000000, 0.0012597300000000, -0.0045589700000000 ] - [ -0.0000121500000000, 0.0012481800000000, 0.0021828200000000 ] - [ 0.0003995300000000, -0.0003081700000000, 0.0009764400000000 ] - [ -0.0000246000000000, -0.0002932800000000, 0.0006423600000000 ] - [ -0.0001911300000000, -0.0002205400000000, 0.0011820700000000 ]- atom: 56 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ 0.0005204700000000, -0.0008021800000000, 0.0010660400000000 ] - [ 0.0001935600000000, -0.0002769500000000, 0.0016047000000000 ] - [ 0.0001094100000000, -0.0011078500000000, 0.0014344300000000 ] - [ -0.0007018900000000, -0.0007473900000000, 0.0010764300000000 ] - [ -0.0004037800000000, -0.0067193500000000, -0.0101136300000000 ] - [ -0.0001653700000000, -0.0005817100000000, 0.0020418500000000 ] - [ -0.0001457300000000, -0.0002015400000000, 0.0016245100000000 ] - [ 0.0000968500000000, -0.0002950700000000, 0.0014031400000000 ] - [ -0.0014727500000000, 0.0003669100000000, -0.0018166100000000 ] - [ -0.0007923000000000, 0.0002590700000000, -0.0007086900000000 ] - [ -0.0003910200000000, 0.0003967800000000, -0.0012273300000000 ] - [ -0.0016326100000000, -0.0011120800000000, -0.0012518400000000 ] - [ 0.0022740600000000, 0.0035417500000000, 0.0016035800000000 ] - [ -0.0000609700000000, -0.0008570300000000, 0.0014115300000000 ] - [ -0.0001036400000000, -0.0002570800000000, 0.0005838900000000 ] - [ 0.0002936500000000, -0.0005041600000000, 0.0017274600000000 ] - [ -0.0003294900000000, 0.0093269500000000, -0.0109671900000000 ] - [ -0.0027696000000000, 0.0020999000000000, -0.0024259500000000 ] - [ 0.0030624300000000, -0.0029526400000000, 0.0010113400000000 ] - [ -0.0001586000000000, -0.0003509200000000, -0.0025961800000000 ] - [ -0.0000554000000000, -0.0007998500000000, 0.0003452000000000 ] - [ 0.0000658800000000, -0.0008385100000000, 0.0011068500000000 ] - [ 0.0005114500000000, 0.0001425600000000, 0.0008688000000000 ] - [ -0.0001794100000000, 0.0007760400000000, 0.0015432500000000 ] - [ -0.0003230700000000, 0.0011015400000000, -0.0019473900000000 ] - [ -0.0001770700000000, 0.0004772800000000, 0.0000179100000000 ] - [ 0.0001985500000000, -0.0000771400000000, 0.0015374100000000 ] - [ -0.0001480100000000, -0.0001653800000000, 0.0014867900000000 ] - [ -0.0003504300000000, 0.0001363600000000, -0.0008736000000000 ] - [ -0.0011026800000000, 0.0044841800000000, 0.0003864900000000 ] - [ -0.0022754200000000, -0.0014454400000000, 0.0028910800000000 ] - [ -0.0000213500000000, 0.0000894500000000, -0.0011835900000000 ] - [ 0.0002958400000000, -0.0003620600000000, 0.0022062400000000 ] - [ -0.0001076000000000, 0.0005929600000000, -0.0000564400000000 ] - [ -0.0009091400000000, 0.0000765700000000, 0.0002064700000000 ] - [ -0.0001150200000000, -0.0006633200000000, 0.0029823200000000 ] - [ -0.0008842100000000, 0.0010242000000000, 0.0011653600000000 ] - [ 0.0015211500000000, 0.0002700600000000, 0.0019077600000000 ] - [ -0.0360913800000000, 0.0026007900000000, -0.0880670000000000 ] - [ -0.0004777600000000, -0.0004329600000000, 0.0017301300000000 ] - [ -0.0125023700000000, -0.0014045600000000, -0.0076606500000000 ] - [ 0.0005479000000000, 0.0008871500000000, 0.0028442800000000 ] - [ -0.0015949800000000, -0.0005289500000000, -0.0038737300000000 ] - [ -0.0008613700000000, -0.0002453400000000, 0.0014550500000000 ] - [ 0.0047264300000000, 0.0000208900000000, 0.0056473000000000 ] - [ -0.0024288300000000, -0.0008342900000000, 0.0057936600000000 ] - [ 0.0022846900000000, 0.0008640700000000, -0.0084878400000000 ] - [ -0.0007122700000000, 0.0001978300000000, 0.0017482000000000 ] - [ -0.0001431400000000, -0.0002460300000000, -0.0003266200000000 ] - [ 0.0002600700000000, -0.0002681500000000, 0.0006636600000000 ] - [ 0.0005904600000000, 0.0001641400000000, -0.0004552900000000 ] - [ 0.0021979100000000, -0.0004819500000000, 0.0015820300000000 ] - [ -0.0009338700000000, 0.0001252400000000, -0.0021250900000000 ] - [ 0.0007468000000000, -0.0006300400000000, 0.0000567500000000 ] - [ 0.0004253800000000, 0.0001232300000000, -0.0002280700000000 ] - [ 0.0379509300000000, -0.0001968100000000, 0.1387606700000000 ] - [ -0.0000107300000000, -0.0005773500000000, -0.0010793000000000 ] - [ 0.0006229000000000, 0.0002894500000000, -0.0010846700000000 ] - [ 0.0003331900000000, 0.0002014100000000, -0.0013644300000000 ] - [ 0.0014512500000000, 0.0001605600000000, -0.0011817000000000 ] - [ 0.0001178600000000, -0.0001526100000000, -0.0014997400000000 ] - [ -0.0002800800000000, -0.0007108900000000, -0.0004929500000000 ] - [ 0.0021398800000000, -0.0030727500000000, 0.0053081800000000 ] - [ 0.0001512400000000, -0.0000363800000000, -0.0008538400000000 ] - [ -0.0004255400000000, 0.0002624100000000, -0.0011139500000000 ] - [ 0.0016598900000000, -0.0003863000000000, 0.0026569400000000 ] - [ 0.0009892900000000, 0.0009562500000000, 0.0001104300000000 ] - [ -0.0000731800000000, -0.0006592900000000, -0.0007864000000000 ] - [ -0.0084617600000000, 0.0001381800000000, -0.0159589700000000 ] - [ -0.0003015800000000, 0.0000929100000000, 0.0000719500000000 ] - [ 0.0011866900000000, 0.0004556800000000, -0.0000160000000000 ] - [ 0.0004744300000000, 0.0005827800000000, 0.0013945600000000 ] - [ -0.0002180000000000, 0.0001495900000000, -0.0000899800000000 ] - [ 0.0012107700000000, 0.0003571200000000, 0.0013059500000000 ] - [ 0.0000623000000000, 0.0004327500000000, -0.0007924500000000 ] - [ 0.0003069700000000, -0.0004059600000000, -0.0009218300000000 ] - [ -0.0081494900000000, -0.0071301700000000, -0.0087592500000000 ] - [ 0.0006210000000000, 0.0001838400000000, -0.0008273500000000 ] - [ 0.0001648700000000, 0.0000658800000000, -0.0008723800000000 ] - [ 0.0060580200000000, -0.0019861800000000, -0.0060568500000000 ] - [ -0.0020638600000000, -0.0003807100000000, -0.0004866800000000 ] - [ 0.0116599200000000, -0.0018536500000000, -0.0104611500000000 ] - [ -0.0000055700000000, -0.0002719200000000, -0.0008666900000000 ] - [ -0.0002023000000000, 0.0000956800000000, -0.0013092600000000 ] - [ 0.0039385100000000, 0.0042023700000000, 0.0038117800000000 ] - [ 0.0002303400000000, 0.0000516800000000, -0.0008853900000000 ] - [ -0.0009998500000000, -0.0012428000000000, 0.0022826300000000 ] - [ 0.0004327300000000, -0.0007220900000000, -0.0011065800000000 ] - [ 0.0002573500000000, -0.0008340100000000, -0.0014081600000000 ] - [ -0.0003211300000000, -0.0004868900000000, -0.0012201100000000 ] - [ 0.0014076400000000, 0.0051786500000000, 0.0047336300000000 ] - [ -0.0010976200000000, -0.0005362900000000, -0.0004736200000000 ] - [ 0.0003452100000000, 0.0000627200000000, 0.0014225400000000 ] - [ 0.0009629500000000, 0.0001094500000000, 0.0016064800000000 ] - [ 0.0000898400000000, 0.0002903000000000, -0.0012300000000000 ] - [ -0.0006498200000000, -0.0001566700000000, -0.0017949300000000 ] - [ 0.0003557800000000, 0.0005603200000000, -0.0008968000000000 ] - [ 0.0008072600000000, 0.0017207100000000, -0.0020876000000000 ] - [ 0.0001169100000000, 0.0001017100000000, -0.0002153900000000 ] - [ 0.0031744900000000, -0.0004785600000000, 0.0096251200000000 ] - [ -0.0001773000000000, 0.0001943200000000, 0.0000690500000000 ] - [ 0.0002141000000000, -0.0010997400000000, -0.0015147400000000 ] - [ 0.0000828700000000, -0.0005488700000000, -0.0003815800000000 ] - [ -0.0005872200000000, 0.0002168000000000, -0.0019529300000000 ] - [ 0.0036581100000000, 0.0022910500000000, -0.0047741200000000 ] - [ -0.0007140600000000, 0.0015476200000000, -0.0020317500000000 ] - [ -0.0001164800000000, -0.0002434900000000, -0.0012389100000000 ] - [ 0.0006850200000000, -0.0041545700000000, 0.0059161100000000 ] - [ -0.0074022000000000, 0.0055500200000000, -0.0075929600000000 ] - [ 0.0000176600000000, 0.0003074800000000, -0.0007954800000000 ] - [ -0.0001096700000000, -0.0002569400000000, 0.0002662500000000 ] - [ -0.0001470600000000, -0.0006108500000000, 0.0010513500000000 ] - [ -0.0004733200000000, -0.0006468100000000, -0.0015108300000000 ] - [ -0.0000662100000000, 0.0001545800000000, -0.0016218100000000 ] - [ 0.0003101700000000, 0.0004940900000000, 0.0008617100000000 ] - [ 0.0004674900000000, 0.0000507200000000, 0.0036204600000000 ] - [ -0.0011889900000000, -0.0011541400000000, -0.0016000600000000 ] - [ -0.0015957600000000, 0.0002078900000000, -0.0003880600000000 ] - [ 0.0005289900000000, -0.0002653700000000, -0.0004898100000000 ] - [ 0.0011936200000000, -0.0004139000000000, -0.0011574900000000 ]- atom: 57 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ 0.0190911800000000, 0.0074281400000000, 0.0049575000000000 ] - [ 0.0010199500000000, 0.0009047800000000, -0.0009675600000000 ] - [ -0.0038719000000000, -0.0007275300000000, 0.0001333300000000 ] - [ 0.0270190900000000, 0.0018150600000000, -0.0130111800000000 ] - [ -0.0003881500000000, 0.0006915900000000, 0.0001646000000000 ] - [ -0.0005728200000000, -0.0003850700000000, 0.0013575300000000 ] - [ -0.0014907800000000, -0.0009732700000000, -0.0003225900000000 ] - [ 0.0007094400000000, -0.0019019100000000, -0.0010895900000000 ] - [ -0.0000794600000000, 0.0007714200000000, 0.0003116400000000 ] - [ 0.0000426100000000, -0.0002054200000000, -0.0000135100000000 ] - [ 0.0012582400000000, 0.0003237500000000, 0.0008861900000000 ] - [ 0.0002865200000000, 0.0004679400000000, 0.0007868600000000 ] - [ -0.0002410000000000, 0.0003415000000000, -0.0001141000000000 ] - [ -0.0065348000000000, 0.0014478000000000, 0.0000528100000000 ] - [ 0.0026952700000000, -0.0033389200000000, -0.0000856200000000 ] - [ 0.0007115600000000, -0.0001853600000000, 0.0009037400000000 ] - [ -0.0004346600000000, -0.0000124300000000, -0.0001227700000000 ] - [ -0.0000945600000000, 0.0002880600000000, 0.0006384900000000 ] - [ -0.0002123700000000, 0.0002666400000000, 0.0000907200000000 ] - [ 0.0004077400000000, 0.0001278300000000, 0.0002824600000000 ] - [ -0.0003452200000000, 0.0003311900000000, 0.0005327400000000 ] - [ -0.0008719000000000, 0.0008058200000000, -0.0013450100000000 ] - [ 0.0004069600000000, -0.0001048700000000, -0.0015125400000000 ] - [ -0.0022438400000000, -0.0000670800000000, -0.0001151500000000 ] - [ 0.0001365300000000, 0.0002848800000000, 0.0004754600000000 ] - [ 0.0002966100000000, 0.0005938200000000, -0.0003407500000000 ] - [ -0.0014847600000000, 0.0000445200000000, -0.0008513200000000 ] - [ -0.0002367100000000, -0.0035210300000000, 0.0037356200000000 ] - [ 0.0003790800000000, 0.0005409700000000, -0.0001647000000000 ] - [ 0.0001254200000000, 0.0003098500000000, -0.0001480300000000 ] - [ -0.0003670000000000, 0.0004502200000000, -0.0000509900000000 ] - [ 0.0001529700000000, 0.0008504700000000, 0.0000648500000000 ] - [ 0.0051275100000000, 0.0004064800000000, 0.0015315700000000 ] - [ -0.0015626000000000, -0.0000436700000000, -0.0006241700000000 ] - [ -0.0008897900000000, 0.0023363000000000, 0.0013013500000000 ] - [ -0.0002451200000000, -0.0001286800000000, 0.0010082500000000 ] - [ -0.0026843400000000, 0.0002443300000000, 0.0000905600000000 ] - [ 0.0003699900000000, 0.0003196300000000, -0.0003763200000000 ] - [ -0.0006185100000000, 0.0004242000000000, -0.0001464200000000 ] - [ 0.0437058700000000, -0.0236121500000000, -0.0223086500000000 ] - [ 0.0009109700000000, -0.0008841200000000, 0.0009086000000000 ] - [ -0.0073704000000000, 0.0032282800000000, -0.0068785400000000 ] - [ -0.0008012900000000, -0.0009261900000000, -0.0005255600000000 ] - [ -0.0008703900000000, -0.0004120800000000, -0.0002538100000000 ] - [ 0.0013567600000000, 0.0041265700000000, -0.0040395200000000 ] - [ -0.0028089200000000, -0.0005108700000000, 0.0003196100000000 ] - [ 0.0002929800000000, 0.0003953900000000, 0.0005637800000000 ] - [ 0.0005908700000000, 0.0006969100000000, 0.0001626100000000 ] - [ -0.0007433200000000, -0.0009860300000000, 0.0005961900000000 ] - [ 0.0005688100000000, -0.0002190900000000, -0.0001499100000000 ] - [ 0.0000979300000000, 0.0000177300000000, 0.0002655700000000 ] - [ 0.0000226500000000, -0.0002447100000000, -0.0001072200000000 ] - [ -0.0001870900000000, -0.0000062400000000, -0.0008129700000000 ] - [ 0.0000348700000000, 0.0002419700000000, -0.0002507900000000 ] - [ -0.0046331500000000, -0.0057806600000000, -0.0052204600000000 ] - [ 0.0003317800000000, 0.0006695600000000, 0.0005135600000000 ] - [ -0.1054480400000000, 0.0089547300000000, 0.0431151700000000 ] - [ 0.0005255200000000, -0.0000946000000000, -0.0000314900000000 ] - [ 0.0047783100000000, 0.0000442800000000, 0.0004360000000000 ] - [ 0.0014360300000000, 0.0001099300000000, -0.0021642300000000 ] - [ 0.0020570500000000, -0.0003168200000000, 0.0004393300000000 ] - [ 0.0017208200000000, -0.0017935700000000, 0.0024610800000000 ] - [ -0.0004431100000000, 0.0000726400000000, -0.0001686700000000 ] - [ -0.0000184400000000, 0.0005456400000000, 0.0002243500000000 ] - [ 0.0002930000000000, 0.0002572200000000, -0.0002826100000000 ] - [ 0.0003795300000000, -0.0001958400000000, 0.0006686700000000 ] - [ 0.0000042700000000, 0.0002248500000000, 0.0000131200000000 ] - [ -0.0036305200000000, 0.0043773000000000, 0.0068611300000000 ] - [ 0.0005353500000000, -0.0004884600000000, 0.0009004400000000 ] - [ -0.0009547800000000, -0.0006968600000000, -0.0016473700000000 ] - [ 0.0003225400000000, 0.0001665700000000, -0.0002857800000000 ] - [ 0.0003202200000000, -0.0000330000000000, 0.0000569200000000 ] - [ 0.0010481200000000, 0.0002013100000000, -0.0002016300000000 ] - [ -0.0002599300000000, 0.0002768800000000, -0.0004502700000000 ] - [ 0.0128310000000000, -0.0110009300000000, -0.0176716100000000 ] - [ 0.0012268200000000, 0.0003524400000000, -0.0003337600000000 ] - [ -0.0000147900000000, 0.0001940900000000, -0.0005199100000000 ] - [ -0.0016160000000000, -0.0004692100000000, 0.0005591200000000 ] - [ -0.0009955800000000, 0.0002269400000000, -0.0006233900000000 ] - [ 0.0009871500000000, 0.0006012700000000, -0.0005185800000000 ] - [ -0.0014905700000000, -0.0008447100000000, 0.0013795300000000 ] - [ -0.0004411000000000, -0.0001880500000000, -0.0009800200000000 ] - [ 0.0027098000000000, 0.0007052200000000, -0.0010521100000000 ] - [ -0.0080406300000000, -0.0021220200000000, -0.0005608900000000 ] - [ -0.0003161600000000, 0.0008300800000000, 0.0004196100000000 ] - [ 0.0040033400000000, -0.0014800200000000, -0.0012512700000000 ] - [ 0.0003178200000000, -0.0002740100000000, -0.0001649800000000 ] - [ -0.0004912700000000, -0.0004666300000000, -0.0007496600000000 ] - [ -0.0002033300000000, 0.0001703000000000, -0.0002115200000000 ] - [ 0.0010869300000000, 0.0009603700000000, 0.0023547000000000 ] - [ 0.0001406100000000, 0.0002223500000000, -0.0000686100000000 ] - [ 0.0000005900000000, -0.0002526300000000, 0.0001306500000000 ] - [ -0.0001611100000000, -0.0002457200000000, -0.0002327200000000 ] - [ -0.0002976600000000, 0.0001850700000000, -0.0000059800000000 ] - [ 0.0012463000000000, 0.0001181300000000, -0.0001371700000000 ] - [ 0.0000714500000000, -0.0003584500000000, 0.0004382000000000 ] - [ 0.0023251400000000, 0.0007572200000000, 0.0000807900000000 ] - [ 0.0003275400000000, 0.0001155100000000, -0.0003104000000000 ] - [ 0.0006567000000000, 0.0005856000000000, 0.0006554100000000 ] - [ -0.0001009900000000, -0.0003231900000000, -0.0000782500000000 ] - [ 0.0003060300000000, 0.0001986800000000, 0.0005679100000000 ] - [ 0.0011679800000000, -0.0011429700000000, -0.0001540000000000 ] - [ -0.0029914900000000, 0.0004424300000000, 0.0000278200000000 ] - [ 0.0148941700000000, 0.0130765500000000, 0.0065771400000000 ] - [ 0.0005262700000000, -0.0001300400000000, -0.0003614800000000 ] - [ 0.0062458000000000, -0.0029205600000000, 0.0055461600000000 ] - [ 0.0013699000000000, -0.0011047800000000, -0.0009147400000000 ] - [ 0.0001538300000000, 0.0002759600000000, 0.0003074900000000 ] - [ 0.0000480700000000, 0.0003167300000000, -0.0002220500000000 ] - [ -0.0007784600000000, -0.0000734000000000, 0.0001240000000000 ] - [ -0.0002466700000000, -0.0007270300000000, 0.0006356400000000 ] - [ 0.0001033100000000, -0.0000694200000000, 0.0001985600000000 ] - [ -0.0017489800000000, 0.0051004800000000, -0.0028211100000000 ] - [ -0.0006364100000000, 0.0002087100000000, -0.0002887300000000 ] - [ 0.0002306300000000, 0.0008855300000000, -0.0005843200000000 ] - [ -0.0001749800000000, 0.0006518800000000, -0.0006044600000000 ] - [ -0.0001812000000000, -0.0009444600000000, 0.0006128200000000 ] - [ -0.0005017100000000, -0.0000786100000000, 0.0003755500000000 ] - [ 0.0000213400000000, -0.0002536600000000, 0.0000825000000000 ] - [ 0.0004993500000000, -0.0003394300000000, -0.0002824700000000 ]- atom: 57 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ -0.0187131300000000, -0.0072350000000000, -0.0044864800000000 ] - [ -0.0008111600000000, -0.0016081300000000, 0.0014429600000000 ] - [ 0.0043987400000000, -0.0002285000000000, -0.0007150800000000 ] - [ -0.0292588800000000, -0.0026351200000000, 0.0137666200000000 ] - [ 0.0006140800000000, 0.0000231500000000, 0.0003342800000000 ] - [ 0.0002824600000000, -0.0008075700000000, -0.0003501200000000 ] - [ 0.0009550700000000, 0.0000177400000000, 0.0009061400000000 ] - [ -0.0005663200000000, 0.0013850600000000, 0.0011505000000000 ] - [ -0.0001426500000000, 0.0008670500000000, -0.0001541700000000 ] - [ -0.0001860900000000, -0.0000949900000000, -0.0003009300000000 ] - [ -0.0015492600000000, 0.0008665100000000, 0.0001142400000000 ] - [ 0.0004382400000000, 0.0003732100000000, -0.0001947500000000 ] - [ 0.0000223300000000, 0.0003709300000000, -0.0003739900000000 ] - [ 0.0063112600000000, -0.0030833600000000, 0.0001091700000000 ] - [ -0.0024950200000000, 0.0027153900000000, -0.0005439300000000 ] - [ 0.0000240100000000, -0.0006575800000000, -0.0003107800000000 ] - [ 0.0005810900000000, 0.0005093100000000, 0.0001842900000000 ] - [ -0.0001449200000000, 0.0003438000000000, -0.0000079700000000 ] - [ 0.0000578300000000, 0.0002321600000000, -0.0001732800000000 ] - [ -0.0002680000000000, -0.0004297500000000, 0.0000236200000000 ] - [ 0.0006323200000000, -0.0015279200000000, -0.0015432200000000 ] - [ 0.0010956000000000, -0.0024577300000000, 0.0011929600000000 ] - [ -0.0006095400000000, -0.0006182900000000, 0.0010379400000000 ] - [ 0.0021106300000000, 0.0003743800000000, -0.0001929500000000 ] - [ -0.0006667800000000, 0.0006720800000000, 0.0001091900000000 ] - [ -0.0000055800000000, 0.0005976600000000, -0.0006646400000000 ] - [ 0.0016301000000000, 0.0002545000000000, 0.0011715300000000 ] - [ 0.0000079700000000, 0.0028762800000000, -0.0030943900000000 ] - [ 0.0001566800000000, 0.0004152000000000, -0.0004170000000000 ] - [ 0.0001139200000000, 0.0003220900000000, -0.0004856400000000 ] - [ -0.0003584600000000, 0.0003934400000000, -0.0005447200000000 ] - [ 0.0000688100000000, 0.0007906300000000, -0.0002265400000000 ] - [ -0.0043200600000000, -0.0012205900000000, -0.0008704200000000 ] - [ -0.0003607300000000, 0.0006885600000000, 0.0004732900000000 ] - [ 0.0006908100000000, -0.0020017000000000, -0.0002775500000000 ] - [ 0.0000603300000000, -0.0001870500000000, -0.0000095600000000 ] - [ 0.0010482100000000, 0.0016049300000000, -0.0017119600000000 ] - [ 0.0015594700000000, 0.0003280500000000, 0.0005256100000000 ] - [ -0.0002096000000000, 0.0003823300000000, -0.0005006700000000 ] - [ -0.0450864900000000, 0.0234021800000000, 0.0222243000000000 ] - [ 0.0007372900000000, -0.0009768600000000, 0.0007243500000000 ] - [ 0.0090276100000000, -0.0013736500000000, 0.0085592300000000 ] - [ -0.0008452500000000, -0.0009351200000000, -0.0011127700000000 ] - [ -0.0010716000000000, -0.0002349000000000, 0.0000941600000000 ] - [ 0.0005887500000000, -0.0047466400000000, 0.0041763300000000 ] - [ 0.0029901500000000, 0.0001942100000000, -0.0013215000000000 ] - [ 0.0005363200000000, 0.0004112400000000, 0.0000748800000000 ] - [ -0.0004001200000000, -0.0003784600000000, -0.0011654700000000 ] - [ 0.0002105500000000, 0.0005219100000000, -0.0006028800000000 ] - [ 0.0006267800000000, 0.0001162600000000, -0.0004393100000000 ] - [ 0.0006241700000000, 0.0001493600000000, 0.0008325200000000 ] - [ 0.0001732200000000, -0.0002622100000000, 0.0001247000000000 ] - [ -0.0005324400000000, -0.0001630800000000, -0.0002807100000000 ] - [ 0.0001255600000000, 0.0002214800000000, -0.0000075300000000 ] - [ 0.0051481300000000, 0.0055908400000000, 0.0049993900000000 ] - [ 0.0000416600000000, 0.0006397600000000, 0.0004065100000000 ] - [ 0.1069680600000000, -0.0105611500000000, -0.0455285700000000 ] - [ 0.0006776500000000, 0.0001956800000000, -0.0005577600000000 ] - [ -0.0045983200000000, 0.0004641600000000, -0.0004256000000000 ] - [ -0.0024531800000000, -0.0007337100000000, 0.0021502500000000 ] - [ -0.0013328000000000, 0.0001459600000000, 0.0006614900000000 ] - [ -0.0022381800000000, 0.0000559900000000, -0.0015607200000000 ] - [ -0.0002532800000000, -0.0000184400000000, -0.0001845700000000 ] - [ 0.0002176800000000, -0.0000142200000000, -0.0003557300000000 ] - [ -0.0008007900000000, 0.0003002700000000, 0.0001296700000000 ] - [ 0.0004339100000000, -0.0001714000000000, 0.0010743300000000 ] - [ 0.0001250400000000, 0.0002705500000000, 0.0002622500000000 ] - [ 0.0040254800000000, -0.0056660100000000, -0.0059588000000000 ] - [ -0.0009806300000000, 0.0008678700000000, -0.0019624300000000 ] - [ 0.0002353500000000, 0.0008695700000000, 0.0005535000000000 ] - [ 0.0006792900000000, 0.0004684500000000, 0.0003086800000000 ] - [ 0.0003748800000000, 0.0000885400000000, 0.0002996700000000 ] - [ -0.0005430800000000, 0.0003573800000000, 0.0003565000000000 ] - [ 0.0001295300000000, 0.0002194900000000, 0.0001774100000000 ] - [ -0.0130925000000000, 0.0114644100000000, 0.0174849500000000 ] - [ -0.0010647800000000, -0.0008209200000000, 0.0000764800000000 ] - [ -0.0001411400000000, 0.0002179700000000, -0.0003848500000000 ] - [ 0.0020824400000000, 0.0010799200000000, -0.0006849300000000 ] - [ 0.0010484600000000, -0.0007982800000000, 0.0008497800000000 ] - [ -0.0004500900000000, -0.0001302300000000, 0.0005174800000000 ] - [ 0.0009717900000000, 0.0002824500000000, -0.0015309100000000 ] - [ -0.0003732900000000, -0.0001784900000000, -0.0007630700000000 ] - [ -0.0028689200000000, -0.0011671400000000, 0.0013064900000000 ] - [ 0.0078621300000000, 0.0018017600000000, -0.0003356800000000 ] - [ -0.0001933200000000, 0.0009094600000000, 0.0005001100000000 ] - [ -0.0039140500000000, 0.0009988400000000, 0.0015530300000000 ] - [ 0.0001337600000000, -0.0003249000000000, 0.0000463500000000 ] - [ 0.0010218500000000, -0.0000061000000000, 0.0007453500000000 ] - [ -0.0003338000000000, 0.0003022200000000, 0.0002154100000000 ] - [ -0.0017758200000000, -0.0010238800000000, -0.0027361000000000 ] - [ -0.0000839400000000, 0.0003544000000000, 0.0002922900000000 ] - [ -0.0001956800000000, -0.0002776800000000, 0.0000018300000000 ] - [ -0.0000343000000000, -0.0002611200000000, 0.0002178200000000 ] - [ 0.0001363200000000, 0.0002777500000000, 0.0002669600000000 ] - [ -0.0014442300000000, 0.0003907200000000, 0.0001167800000000 ] - [ -0.0005109300000000, -0.0000271900000000, -0.0014987100000000 ] - [ -0.0016212500000000, -0.0007966000000000, 0.0002631800000000 ] - [ 0.0001508200000000, 0.0000427000000000, 0.0001183700000000 ] - [ 0.0001488600000000, -0.0002175100000000, 0.0010826800000000 ] - [ -0.0003518100000000, -0.0002753200000000, 0.0001993300000000 ] - [ 0.0001413200000000, 0.0001866400000000, 0.0005036400000000 ] - [ -0.0006658600000000, -0.0005959600000000, -0.0007664100000000 ] - [ 0.0031424400000000, -0.0008893500000000, 0.0009157500000000 ] - [ -0.0159082400000000, -0.0129331000000000, -0.0083683300000000 ] - [ -0.0010036900000000, 0.0002914500000000, 0.0005566300000000 ] - [ -0.0063774400000000, 0.0034272400000000, -0.0053555500000000 ] - [ -0.0015008600000000, 0.0006058100000000, 0.0006349100000000 ] - [ 0.0000030200000000, 0.0001357300000000, 0.0006005800000000 ] - [ -0.0001031100000000, 0.0002582700000000, 0.0000013200000000 ] - [ 0.0002970300000000, -0.0000841500000000, 0.0000706700000000 ] - [ 0.0006809300000000, 0.0003276600000000, 0.0004151200000000 ] - [ 0.0000888100000000, -0.0004606600000000, -0.0003274700000000 ] - [ 0.0013614000000000, -0.0063608300000000, 0.0018919500000000 ] - [ -0.0003681800000000, 0.0004236500000000, 0.0002675800000000 ] - [ 0.0002787900000000, 0.0008528400000000, -0.0003323600000000 ] - [ -0.0001975000000000, 0.0006579300000000, -0.0003119200000000 ] - [ -0.0010251000000000, 0.0010342200000000, -0.0000268100000000 ] - [ -0.0006959400000000, -0.0000244900000000, 0.0002154700000000 ] - [ 0.0004920000000000, -0.0003042300000000, 0.0000716400000000 ] - [ 0.0004989000000000, -0.0002923900000000, 0.0003058300000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0084775100000000, 0.0059529100000000, 0.0058841000000000 ] - [ 0.0006004900000000, 0.0028183300000000, 0.0000030100000000 ] - [ 0.0000483200000000, 0.0007705500000000, 0.0011593100000000 ] - [ 0.0038156300000000, 0.0057310100000000, -0.0012639500000000 ] - [ -0.0000164600000000, 0.0002363400000000, -0.0000633900000000 ] - [ -0.0001231400000000, -0.0007573600000000, -0.0000530200000000 ] - [ -0.0003067000000000, -0.0012569200000000, 0.0003237000000000 ] - [ -0.0003172100000000, -0.0027685400000000, -0.0019245200000000 ] - [ -0.0000932600000000, 0.0009060100000000, -0.0004335600000000 ] - [ -0.0000276100000000, -0.0000027800000000, -0.0007086400000000 ] - [ -0.0003417000000000, 0.0012081400000000, 0.0004059300000000 ] - [ 0.0007277600000000, 0.0007071500000000, -0.0005384200000000 ] - [ -0.0002174600000000, 0.0004566100000000, -0.0007448300000000 ] - [ 0.0022723400000000, -0.0021964400000000, -0.0000643100000000 ] - [ -0.0039359700000000, -0.0044906100000000, 0.0020135000000000 ] - [ 0.0003868700000000, -0.0012303300000000, 0.0003062500000000 ] - [ -0.0000381800000000, 0.0004301500000000, -0.0003514900000000 ] - [ -0.0000111600000000, 0.0001995200000000, -0.0000142800000000 ] - [ -0.0001545600000000, 0.0001383400000000, -0.0005402900000000 ] - [ -0.0001480500000000, -0.0007253600000000, -0.0005180000000000 ] - [ 0.0006215400000000, -0.0014345700000000, 0.0000008500000000 ] - [ 0.0011519200000000, -0.0014596500000000, 0.0012219600000000 ] - [ 0.0030421600000000, -0.0066433500000000, 0.0037293800000000 ] - [ -0.0000572500000000, -0.0002825900000000, 0.0006808800000000 ] - [ -0.0005148400000000, 0.0008564600000000, -0.0005903600000000 ] - [ 0.0001550400000000, 0.0005549600000000, -0.0008622800000000 ] - [ 0.0003418700000000, 0.0008235600000000, 0.0003436700000000 ] - [ -0.0010395000000000, 0.0025427100000000, -0.0002349200000000 ] - [ 0.0003217700000000, 0.0003206100000000, -0.0008341800000000 ] - [ 0.0001092900000000, 0.0003010900000000, -0.0007053000000000 ] - [ -0.0003587600000000, 0.0003919400000000, -0.0008116400000000 ] - [ 0.0000538900000000, 0.0008051200000000, -0.0005440600000000 ] - [ 0.0024037600000000, -0.0103543900000000, 0.0064734600000000 ] - [ -0.0016326900000000, -0.0000676800000000, -0.0007684700000000 ] - [ 0.0011373300000000, -0.0086252000000000, -0.0008567200000000 ] - [ -0.0001560600000000, -0.0002021900000000, -0.0000107800000000 ] - [ -0.0021967800000000, -0.0007763200000000, 0.0008780200000000 ] - [ 0.0006744000000000, 0.0003285500000000, -0.0012325300000000 ] - [ -0.0003435800000000, 0.0003909900000000, -0.0010322300000000 ] - [ -0.0264472200000000, 0.1317829800000000, 0.0894088400000000 ] - [ 0.0008408500000000, -0.0009563300000000, 0.0001267100000000 ] - [ -0.0026415400000000, 0.0036923100000000, -0.0015442800000000 ] - [ -0.0006843100000000, -0.0009092100000000, -0.0016667200000000 ] - [ -0.0007972700000000, -0.0005994300000000, -0.0004905500000000 ] - [ 0.0023109100000000, 0.0030852800000000, 0.0001172400000000 ] - [ 0.0001074000000000, 0.0001062800000000, -0.0002404200000000 ] - [ 0.0004684300000000, 0.0003850300000000, -0.0004072700000000 ] - [ 0.0003404500000000, 0.0002965100000000, -0.0017428300000000 ] - [ -0.0000051700000000, 0.0034817000000000, -0.0025332600000000 ] - [ 0.0008489400000000, 0.0002913200000000, -0.0000652100000000 ] - [ 0.0004314800000000, 0.0000386300000000, 0.0010670600000000 ] - [ 0.0000411500000000, -0.0002800000000000, 0.0004542600000000 ] - [ -0.0002769200000000, -0.0001191800000000, -0.0003402600000000 ] - [ 0.0000574000000000, 0.0001998400000000, 0.0001862700000000 ] - [ -0.0041513700000000, 0.0122071200000000, 0.0179517200000000 ] - [ 0.0002814300000000, 0.0006581900000000, 0.0008337400000000 ] - [ 0.0086218800000000, -0.1853831600000000, -0.1226678100000000 ] - [ 0.0003092300000000, -0.0001008100000000, -0.0003195200000000 ] - [ 0.0012919800000000, -0.0002411500000000, -0.0005993400000000 ] - [ -0.0005166100000000, -0.0007430900000000, -0.0007378500000000 ] - [ 0.0005776400000000, -0.0006978200000000, 0.0001000500000000 ] - [ -0.0001639900000000, -0.0025026500000000, 0.0001422200000000 ] - [ -0.0003115900000000, -0.0001833100000000, 0.0001699800000000 ] - [ 0.0000300600000000, 0.0006230700000000, 0.0001442400000000 ] - [ -0.0002708300000000, 0.0002688800000000, 0.0003319800000000 ] - [ 0.0004650500000000, -0.0001736500000000, 0.0013702200000000 ] - [ 0.0000842400000000, 0.0003107100000000, 0.0004923300000000 ] - [ 0.0036335200000000, -0.0000428100000000, 0.0081503100000000 ] - [ -0.0003250300000000, -0.0002991200000000, -0.0002987200000000 ] - [ 0.0004314700000000, 0.0021241600000000, 0.0014266000000000 ] - [ -0.0013011100000000, 0.0017372900000000, 0.0008251700000000 ] - [ 0.0003216800000000, 0.0002555900000000, 0.0006085500000000 ] - [ 0.0003300000000000, 0.0004367100000000, 0.0001732000000000 ] - [ -0.0001202400000000, -0.0000691000000000, 0.0004422400000000 ] - [ -0.0060066600000000, -0.0025267000000000, 0.0052070900000000 ] - [ 0.0001933200000000, 0.0008603500000000, -0.0007139200000000 ] - [ -0.0000556300000000, 0.0003165400000000, -0.0001345900000000 ] - [ -0.0001808200000000, 0.0036174400000000, -0.0004542600000000 ] - [ -0.0004833100000000, 0.0026966000000000, -0.0004793600000000 ] - [ 0.0002056900000000, 0.0002525400000000, 0.0000889400000000 ] - [ -0.0006899100000000, -0.0010207000000000, -0.0012091600000000 ] - [ -0.0003025400000000, -0.0001638600000000, -0.0004878300000000 ] - [ -0.0011883900000000, -0.0008866500000000, 0.0008254800000000 ] - [ -0.0014796400000000, 0.0256340600000000, 0.0014762600000000 ] - [ -0.0002289400000000, 0.0009498600000000, 0.0007881300000000 ] - [ -0.0025834300000000, -0.0000626700000000, -0.0001997100000000 ] - [ 0.0001317800000000, -0.0003418100000000, 0.0002274200000000 ] - [ 0.0002570300000000, -0.0006838400000000, 0.0005261000000000 ] - [ -0.0002557800000000, 0.0003191800000000, 0.0003275200000000 ] - [ 0.0005744800000000, 0.0002327200000000, 0.0001701400000000 ] - [ -0.0000381100000000, 0.0003804400000000, 0.0004616000000000 ] - [ -0.0001064600000000, 0.0000580000000000, 0.0006190400000000 ] - [ -0.0001810300000000, -0.0002676700000000, 0.0006312300000000 ] - [ -0.0001585200000000, 0.0004149300000000, 0.0003304100000000 ] - [ 0.0001679400000000, 0.0005588400000000, -0.0007179600000000 ] - [ 0.0004935700000000, -0.0003657200000000, 0.0010799500000000 ] - [ 0.0011706400000000, 0.0008386000000000, -0.0009976200000000 ] - [ 0.0002313400000000, 0.0000547100000000, 0.0001803800000000 ] - [ 0.0007376300000000, 0.0003443100000000, 0.0000680400000000 ] - [ -0.0003947200000000, -0.0002721300000000, 0.0003598900000000 ] - [ 0.0002957700000000, 0.0002175000000000, 0.0008479200000000 ] - [ 0.0002956600000000, 0.0005915200000000, -0.0008431700000000 ] - [ 0.0006716800000000, 0.0016687200000000, -0.0071770400000000 ] - [ 0.0087996500000000, 0.0015811200000000, 0.0008816100000000 ] - [ -0.0002990000000000, -0.0001972500000000, 0.0001238800000000 ] - [ 0.0030177900000000, -0.0024019000000000, 0.0019715300000000 ] - [ -0.0002376900000000, 0.0003355900000000, 0.0001343700000000 ] - [ 0.0000783700000000, 0.0001287200000000, 0.0007367900000000 ] - [ -0.0000561200000000, 0.0001700400000000, 0.0002547700000000 ] - [ -0.0005599900000000, 0.0000497100000000, 0.0007096000000000 ] - [ 0.0008539600000000, -0.0000058300000000, 0.0004492400000000 ] - [ 0.0003179600000000, -0.0004158500000000, 0.0003038900000000 ] - [ 0.0008537400000000, 0.0147866700000000, -0.0054681500000000 ] - [ -0.0005489300000000, 0.0003538400000000, 0.0003960900000000 ] - [ 0.0002466200000000, 0.0007866600000000, -0.0000366100000000 ] - [ -0.0001076100000000, 0.0006592000000000, -0.0000253200000000 ] - [ -0.0015624800000000, -0.0007184200000000, -0.0010287400000000 ] - [ -0.0006022900000000, -0.0003781400000000, 0.0008460600000000 ] - [ 0.0000869700000000, -0.0002023200000000, 0.0001742200000000 ] - [ 0.0005034600000000, -0.0002245700000000, 0.0001851000000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0079827700000000, -0.0060956200000000, -0.0054823800000000 ] - [ -0.0003792200000000, -0.0035456200000000, 0.0004892600000000 ] - [ 0.0004861800000000, -0.0017294800000000, -0.0017599100000000 ] - [ -0.0044111100000000, -0.0065288700000000, 0.0005946000000000 ] - [ 0.0002400900000000, 0.0004752300000000, 0.0005703800000000 ] - [ -0.0001672800000000, -0.0004343600000000, 0.0010577400000000 ] - [ -0.0002275800000000, 0.0002994200000000, 0.0002548900000000 ] - [ 0.0004762000000000, 0.0022826700000000, 0.0020196900000000 ] - [ -0.0001278900000000, 0.0007331500000000, 0.0005979200000000 ] - [ -0.0001172600000000, -0.0002996700000000, 0.0004016300000000 ] - [ 0.0000523200000000, -0.0000199000000000, 0.0006110700000000 ] - [ -0.0000021600000000, 0.0001400900000000, 0.0011345300000000 ] - [ 0.0000021700000000, 0.0002561600000000, 0.0002635400000000 ] - [ -0.0025055300000000, 0.0005605500000000, 0.0002240200000000 ] - [ 0.0042391300000000, 0.0038623400000000, -0.0026756500000000 ] - [ 0.0003320500000000, 0.0003868600000000, 0.0002940100000000 ] - [ 0.0001822700000000, 0.0000685700000000, 0.0004230900000000 ] - [ -0.0002280500000000, 0.0004288700000000, 0.0006522800000000 ] - [ 0.0000028700000000, 0.0003602000000000, 0.0004642400000000 ] - [ 0.0002877400000000, 0.0004193300000000, 0.0008277200000000 ] - [ -0.0003291000000000, 0.0002526500000000, -0.0010039600000000 ] - [ -0.0009145300000000, -0.0001681200000000, -0.0013926700000000 ] - [ -0.0033162300000000, 0.0059620000000000, -0.0043073800000000 ] - [ -0.0000866100000000, 0.0005805800000000, -0.0009957100000000 ] - [ -0.0000148900000000, 0.0001047300000000, 0.0011785300000000 ] - [ 0.0001334500000000, 0.0006367300000000, -0.0001369100000000 ] - [ -0.0001978900000000, -0.0005215500000000, -0.0000343200000000 ] - [ 0.0007963000000000, -0.0031836900000000, 0.0008736000000000 ] - [ 0.0002124700000000, 0.0006377100000000, 0.0002600400000000 ] - [ 0.0001300000000000, 0.0003306200000000, 0.0000762300000000 ] - [ -0.0003677400000000, 0.0004525900000000, 0.0002220400000000 ] - [ 0.0001664200000000, 0.0008358500000000, 0.0003879300000000 ] - [ -0.0015933300000000, 0.0095712100000000, -0.0057695400000000 ] - [ -0.0003031600000000, 0.0007163100000000, 0.0006148900000000 ] - [ -0.0013376100000000, 0.0090088300000000, 0.0018780200000000 ] - [ -0.0000313500000000, -0.0001131000000000, 0.0010130700000000 ] - [ 0.0005371400000000, 0.0026505600000000, -0.0025218300000000 ] - [ 0.0012624700000000, 0.0003190300000000, 0.0013991500000000 ] - [ -0.0004869400000000, 0.0004153700000000, 0.0003967400000000 ] - [ 0.0271310000000000, -0.1372203500000000, -0.0955811300000000 ] - [ 0.0008058800000000, -0.0009033100000000, 0.0015148100000000 ] - [ 0.0042872100000000, -0.0018331100000000, 0.0031561800000000 ] - [ -0.0009629600000000, -0.0009507500000000, 0.0000380900000000 ] - [ -0.0011364200000000, -0.0000489300000000, 0.0003384700000000 ] - [ -0.0003646700000000, -0.0037743700000000, 0.0000501400000000 ] - [ 0.0000564500000000, -0.0004216600000000, -0.0007524900000000 ] - [ 0.0003627800000000, 0.0004201600000000, 0.0010568200000000 ] - [ -0.0001580000000000, 0.0000206500000000, 0.0007563800000000 ] - [ -0.0005408600000000, -0.0039767500000000, 0.0025696800000000 ] - [ 0.0003505800000000, -0.0003939300000000, -0.0005290100000000 ] - [ 0.0002896500000000, 0.0001299700000000, 0.0000263900000000 ] - [ 0.0001589000000000, -0.0002261300000000, -0.0004451500000000 ] - [ -0.0004470900000000, -0.0000499900000000, -0.0007610500000000 ] - [ 0.0001020400000000, 0.0002628400000000, -0.0004491500000000 ] - [ 0.0045866900000000, -0.0123909800000000, -0.0180038200000000 ] - [ 0.0000909800000000, 0.0006490800000000, 0.0000854600000000 ] - [ -0.0110202100000000, 0.1895190200000000, 0.1277990200000000 ] - [ 0.0008856800000000, 0.0002045700000000, -0.0002733200000000 ] - [ -0.0010945700000000, 0.0007500200000000, 0.0006197500000000 ] - [ -0.0004666000000000, 0.0001189500000000, 0.0006915900000000 ] - [ 0.0001462000000000, 0.0005342400000000, 0.0010020900000000 ] - [ -0.0003427500000000, 0.0007598500000000, 0.0007872600000000 ] - [ -0.0003839700000000, 0.0002351900000000, -0.0005253700000000 ] - [ 0.0001623500000000, -0.0000950100000000, -0.0002805900000000 ] - [ -0.0002347900000000, 0.0002892200000000, -0.0004869200000000 ] - [ 0.0003495200000000, -0.0001920900000000, 0.0003770400000000 ] - [ 0.0000473400000000, 0.0001856700000000, -0.0002230500000000 ] - [ -0.0033293200000000, -0.0012811300000000, -0.0073979500000000 ] - [ -0.0001267800000000, 0.0006868900000000, -0.0007803500000000 ] - [ -0.0011448200000000, -0.0019528200000000, -0.0025122200000000 ] - [ 0.0022891200000000, -0.0011067700000000, -0.0007955600000000 ] - [ 0.0003725600000000, -0.0002071000000000, -0.0002596500000000 ] - [ 0.0001721900000000, 0.0001201100000000, -0.0000205700000000 ] - [ -0.0000118300000000, 0.0005627500000000, -0.0007181800000000 ] - [ 0.0057050200000000, 0.0031628600000000, -0.0051847100000000 ] - [ -0.0000366400000000, -0.0013218800000000, 0.0004598700000000 ] - [ -0.0001011000000000, 0.0000898700000000, -0.0007799500000000 ] - [ 0.0006131700000000, -0.0030212900000000, 0.0003226400000000 ] - [ 0.0005422100000000, -0.0032783600000000, 0.0006862700000000 ] - [ 0.0003380000000000, 0.0002272600000000, -0.0001016800000000 ] - [ 0.0001775000000000, 0.0004775200000000, 0.0010478900000000 ] - [ -0.0005131500000000, -0.0002044500000000, -0.0012629200000000 ] - [ 0.0010378800000000, 0.0004246300000000, -0.0005691400000000 ] - [ 0.0014037600000000, -0.0267824700000000, -0.0024265400000000 ] - [ -0.0002801600000000, 0.0007924900000000, 0.0001278900000000 ] - [ 0.0027185600000000, -0.0004388300000000, 0.0004726600000000 ] - [ 0.0003270700000000, -0.0002533800000000, -0.0003529000000000 ] - [ 0.0002852900000000, 0.0002063600000000, -0.0005433400000000 ] - [ -0.0002835300000000, 0.0001548700000000, -0.0003213600000000 ] - [ -0.0012718600000000, -0.0002789000000000, -0.0005111800000000 ] - [ 0.0000964400000000, 0.0001958600000000, -0.0002376100000000 ] - [ -0.0000889400000000, -0.0005892800000000, -0.0004892400000000 ] - [ -0.0000184900000000, -0.0002388500000000, -0.0006468900000000 ] - [ -0.0000025300000000, 0.0000484800000000, -0.0000745000000000 ] - [ -0.0003691900000000, -0.0000563700000000, 0.0007093000000000 ] - [ -0.0009482600000000, -0.0000194100000000, -0.0021662600000000 ] - [ -0.0004721100000000, -0.0008988300000000, 0.0013620900000000 ] - [ 0.0002439600000000, 0.0001009000000000, -0.0003705400000000 ] - [ 0.0000821600000000, 0.0000222300000000, 0.0016823400000000 ] - [ -0.0000614100000000, -0.0003251700000000, -0.0002408100000000 ] - [ 0.0001504500000000, 0.0001679400000000, 0.0002221400000000 ] - [ 0.0002235600000000, -0.0023356100000000, -0.0000741400000000 ] - [ -0.0005111500000000, -0.0021018400000000, 0.0080413500000000 ] - [ -0.0096898800000000, -0.0011557900000000, -0.0025892700000000 ] - [ -0.0001728300000000, 0.0003491800000000, 0.0000602500000000 ] - [ -0.0032449300000000, 0.0029563400000000, -0.0018595400000000 ] - [ 0.0001081300000000, -0.0008311300000000, -0.0004070100000000 ] - [ 0.0000783200000000, 0.0002828900000000, 0.0001705000000000 ] - [ -0.0000011300000000, 0.0004086500000000, -0.0004842400000000 ] - [ 0.0000876500000000, -0.0002027100000000, -0.0005277100000000 ] - [ -0.0004046100000000, -0.0003951500000000, 0.0006216500000000 ] - [ -0.0001239300000000, -0.0001149200000000, -0.0004393100000000 ] - [ -0.0011568800000000, -0.0159897100000000, 0.0045235600000000 ] - [ -0.0004533100000000, 0.0002784100000000, -0.0004238200000000 ] - [ 0.0002616500000000, 0.0009559500000000, -0.0008858300000000 ] - [ -0.0002665800000000, 0.0006507900000000, -0.0009033800000000 ] - [ 0.0003728800000000, 0.0008366100000000, 0.0016355600000000 ] - [ -0.0005949700000000, 0.0002773200000000, -0.0002587900000000 ] - [ 0.0004170800000000, -0.0003560400000000, -0.0000237100000000 ] - [ 0.0005043000000000, -0.0004092700000000, -0.0001638700000000 ]- atom: 57 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ -0.0040805100000000, -0.0005117800000000, 0.0061647600000000 ] - [ -0.0017853600000000, 0.0007188400000000, -0.0023155900000000 ] - [ 0.0017366900000000, -0.0001519600000000, 0.0023882500000000 ] - [ -0.0262627900000000, -0.0006027300000000, 0.0194408100000000 ] - [ 0.0002496300000000, 0.0003287200000000, -0.0007815200000000 ] - [ 0.0002596100000000, -0.0009119000000000, -0.0007540200000000 ] - [ 0.0004624600000000, -0.0007927900000000, 0.0009066500000000 ] - [ -0.0013314000000000, -0.0029300600000000, -0.0024644400000000 ] - [ -0.0001001300000000, 0.0008460200000000, -0.0013188100000000 ] - [ -0.0001015800000000, 0.0001488400000000, -0.0015602900000000 ] - [ -0.0004382600000000, 0.0011428700000000, -0.0016590800000000 ] - [ 0.0008516300000000, 0.0004076400000000, -0.0013128900000000 ] - [ -0.0002840800000000, 0.0004510000000000, -0.0015578300000000 ] - [ 0.0074182100000000, -0.0039214600000000, 0.0006223800000000 ] - [ -0.0016821500000000, 0.0007589400000000, 0.0023421900000000 ] - [ 0.0006890500000000, -0.0011787800000000, -0.0004758900000000 ] - [ 0.0002223400000000, 0.0003151700000000, -0.0010289800000000 ] - [ 0.0001049500000000, 0.0004324800000000, -0.0008248800000000 ] - [ -0.0001768700000000, 0.0001398500000000, -0.0013416900000000 ] - [ -0.0004926700000000, -0.0006922100000000, -0.0013259800000000 ] - [ 0.0010462500000000, -0.0016219100000000, 0.0002238300000000 ] - [ 0.0002732500000000, -0.0017529700000000, 0.0029941500000000 ] - [ -0.0000965100000000, -0.0012033400000000, 0.0035913800000000 ] - [ 0.0009922200000000, 0.0004159500000000, 0.0019303700000000 ] - [ -0.0008728100000000, 0.0009128900000000, -0.0012768000000000 ] - [ 0.0002415600000000, 0.0005819400000000, -0.0016971300000000 ] - [ 0.0010667400000000, 0.0009853400000000, 0.0010178700000000 ] - [ 0.0017523600000000, 0.0033764800000000, -0.0033775800000000 ] - [ 0.0002466800000000, 0.0001321600000000, -0.0016404100000000 ] - [ 0.0001475200000000, 0.0002222100000000, -0.0013818800000000 ] - [ -0.0003031200000000, 0.0003949000000000, -0.0016787700000000 ] - [ 0.0000255100000000, 0.0008242200000000, -0.0012656700000000 ] - [ -0.0013959700000000, 0.0037304300000000, 0.0073156300000000 ] - [ -0.0014707700000000, 0.0002799200000000, -0.0002831200000000 ] - [ 0.0021281300000000, -0.0092743000000000, -0.0022366700000000 ] - [ 0.0001212300000000, -0.0002559500000000, -0.0011337400000000 ] - [ 0.0003804800000000, 0.0005917500000000, 0.0016247900000000 ] - [ 0.0006576900000000, 0.0001998700000000, -0.0022150000000000 ] - [ -0.0001617300000000, 0.0003477600000000, -0.0022518800000000 ] - [ -0.0431279500000000, 0.0887687500000000, 0.1038676800000000 ] - [ 0.0008437400000000, -0.0009696600000000, -0.0010328300000000 ] - [ 0.0026270500000000, -0.0009576300000000, 0.0087738800000000 ] - [ -0.0006384100000000, -0.0009069300000000, -0.0028578600000000 ] - [ -0.0012814000000000, -0.0001071200000000, -0.0015324600000000 ] - [ -0.0022344200000000, 0.0008071200000000, 0.0012686300000000 ] - [ 0.0039826900000000, 0.0002123300000000, -0.0010636700000000 ] - [ 0.0005924200000000, 0.0004451200000000, -0.0015390300000000 ] - [ 0.0002870700000000, -0.0003169500000000, -0.0036471000000000 ] - [ -0.0000691200000000, 0.0028531800000000, -0.0023677600000000 ] - [ 0.0009573000000000, 0.0001205100000000, 0.0000044800000000 ] - [ 0.0008037700000000, 0.0001108800000000, 0.0020543000000000 ] - [ 0.0000143600000000, -0.0003057500000000, 0.0011936400000000 ] - [ -0.0002228200000000, -0.0002200800000000, 0.0001683900000000 ] - [ 0.0000105400000000, 0.0002108100000000, 0.0007528500000000 ] - [ -0.0016561300000000, 0.0211289700000000, 0.0220756800000000 ] - [ 0.0003610900000000, 0.0006527700000000, 0.0015231400000000 ] - [ 0.0886913300000000, -0.1137516800000000, -0.1677817400000000 ] - [ 0.0010341300000000, -0.0003308700000000, 0.0001009500000000 ] - [ -0.0026623300000000, 0.0001822100000000, -0.0022095400000000 ] - [ -0.0043926000000000, -0.0014324800000000, 0.0027457500000000 ] - [ -0.0005520900000000, -0.0005353300000000, -0.0002185600000000 ] - [ -0.0002426300000000, -0.0007777600000000, -0.0017587100000000 ] - [ -0.0002314100000000, -0.0003855800000000, 0.0007405200000000 ] - [ 0.0003508800000000, 0.0003736100000000, 0.0001200300000000 ] - [ -0.0005440200000000, 0.0002952100000000, 0.0007651400000000 ] - [ 0.0005846700000000, -0.0002447300000000, 0.0019902400000000 ] - [ 0.0001039800000000, 0.0003364900000000, 0.0011047600000000 ] - [ 0.0057635200000000, 0.0058261600000000, 0.0069981500000000 ] - [ 0.0002985900000000, 0.0001500000000000, -0.0002166700000000 ] - [ 0.0009005000000000, 0.0024267000000000, 0.0025692700000000 ] - [ -0.0016073300000000, 0.0016239100000000, 0.0011727500000000 ] - [ 0.0003327400000000, 0.0005161100000000, 0.0012198900000000 ] - [ 0.0000409400000000, 0.0003975200000000, 0.0001587600000000 ] - [ -0.0000776900000000, 0.0001782800000000, 0.0012397700000000 ] - [ -0.0187713200000000, 0.0125667900000000, 0.0146837600000000 ] - [ -0.0005154200000000, -0.0002092900000000, -0.0013298100000000 ] - [ -0.0000815200000000, 0.0005485000000000, 0.0003856300000000 ] - [ 0.0019707400000000, 0.0003300100000000, -0.0023697100000000 ] - [ -0.0001564800000000, -0.0000044100000000, -0.0008990400000000 ] - [ -0.0006625000000000, -0.0003876500000000, 0.0009761200000000 ] - [ 0.0022115600000000, -0.0016904000000000, 0.0013584600000000 ] - [ -0.0001523700000000, -0.0001301300000000, 0.0001477600000000 ] - [ -0.0029214500000000, -0.0014257200000000, 0.0015293500000000 ] - [ 0.0042217700000000, 0.0041600700000000, -0.0077915000000000 ] - [ -0.0001405200000000, 0.0010115600000000, 0.0013121200000000 ] - [ -0.0033356800000000, 0.0002916800000000, -0.0003306100000000 ] - [ -0.0001088700000000, -0.0004318500000000, 0.0007087800000000 ] - [ 0.0003110100000000, 0.0002201300000000, 0.0020074100000000 ] - [ -0.0003180700000000, 0.0005492900000000, 0.0009432200000000 ] - [ 0.0001245800000000, -0.0006908100000000, -0.0030420300000000 ] - [ -0.0001805200000000, 0.0006299200000000, 0.0010475100000000 ] - [ -0.0001475700000000, 0.0002890200000000, 0.0011103400000000 ] - [ -0.0002065900000000, -0.0002566200000000, 0.0013537800000000 ] - [ -0.0002214200000000, 0.0002280200000000, 0.0011988400000000 ] - [ -0.0007408300000000, 0.0004613500000000, -0.0010690000000000 ] - [ 0.0008925000000000, -0.0003460300000000, 0.0015565000000000 ] - [ -0.0006769800000000, 0.0006343900000000, -0.0017621300000000 ] - [ 0.0001043900000000, -0.0001077300000000, 0.0007060400000000 ] - [ -0.0007433700000000, -0.0005833400000000, -0.0003710700000000 ] - [ -0.0006933500000000, -0.0001745500000000, 0.0009166400000000 ] - [ 0.0005523200000000, 0.0001419100000000, 0.0014941100000000 ] - [ -0.0005631500000000, -0.0000225300000000, -0.0020539900000000 ] - [ 0.0011141600000000, -0.0080842800000000, 0.0062931700000000 ] - [ -0.0083242100000000, -0.0072856800000000, -0.0101938900000000 ] - [ -0.0011369400000000, 0.0004139200000000, 0.0007604900000000 ] - [ 0.0022027300000000, 0.0001087400000000, -0.0010219000000000 ] - [ -0.0015548500000000, 0.0009108500000000, 0.0006603900000000 ] - [ 0.0000177900000000, -0.0001551700000000, 0.0012647100000000 ] - [ -0.0001634000000000, -0.0000538000000000, 0.0008738500000000 ] - [ -0.0005603200000000, 0.0000963300000000, 0.0013761200000000 ] - [ 0.0010565800000000, 0.0002629100000000, -0.0002589000000000 ] - [ 0.0003260400000000, -0.0003915400000000, 0.0002847100000000 ] - [ -0.0001795300000000, -0.0007462100000000, -0.0043405300000000 ] - [ -0.0008241900000000, 0.0005928700000000, 0.0011556500000000 ] - [ 0.0002854200000000, 0.0007164900000000, 0.0005646900000000 ] - [ 0.0000359500000000, 0.0006613200000000, 0.0007088100000000 ] - [ -0.0003407300000000, -0.0007553100000000, -0.0013493100000000 ] - [ -0.0006283300000000, -0.0005655800000000, 0.0013758000000000 ] - [ 0.0002531700000000, -0.0004025500000000, 0.0008232700000000 ] - [ 0.0002913600000000, -0.0001830100000000, 0.0008201600000000 ]- atom: 57 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ 0.0038400100000000, -0.0000097500000000, -0.0062569600000000 ] - [ 0.0020125600000000, -0.0014530000000000, 0.0028170800000000 ] - [ -0.0011960400000000, -0.0008086600000000, -0.0029900500000000 ] - [ 0.0233691300000000, -0.0001745800000000, -0.0188328400000000 ] - [ -0.0000199700000000, 0.0003821500000000, 0.0012890300000000 ] - [ -0.0005517200000000, -0.0002787600000000, 0.0017641300000000 ] - [ -0.0010012000000000, -0.0001592200000000, -0.0003323600000000 ] - [ 0.0014839100000000, 0.0024645600000000, 0.0025628900000000 ] - [ -0.0001222600000000, 0.0007928900000000, 0.0014823700000000 ] - [ -0.0000424700000000, -0.0004514200000000, 0.0012532000000000 ] - [ 0.0001408500000000, 0.0000483100000000, 0.0026629400000000 ] - [ -0.0001251700000000, 0.0004359800000000, 0.0019090500000000 ] - [ 0.0000675500000000, 0.0002596600000000, 0.0010761000000000 ] - [ -0.0077074600000000, 0.0023166600000000, -0.0004642700000000 ] - [ 0.0019156300000000, -0.0013953900000000, -0.0029719000000000 ] - [ 0.0000407200000000, 0.0003436600000000, 0.0010687100000000 ] - [ -0.0000738200000000, 0.0001845800000000, 0.0011004800000000 ] - [ -0.0003447000000000, 0.0001980700000000, 0.0014602600000000 ] - [ 0.0000244600000000, 0.0003607000000000, 0.0012655200000000 ] - [ 0.0006314200000000, 0.0003895300000000, 0.0016381700000000 ] - [ -0.0007545600000000, 0.0004326000000000, -0.0012241600000000 ] - [ -0.0000537500000000, 0.0001118100000000, -0.0031608800000000 ] - [ -0.0001258800000000, 0.0004937500000000, -0.0040806800000000 ] - [ -0.0011322900000000, -0.0001118700000000, -0.0022469800000000 ] - [ 0.0003405800000000, 0.0000447100000000, 0.0018668800000000 ] - [ 0.0000483100000000, 0.0006097800000000, 0.0006976200000000 ] - [ -0.0009273600000000, -0.0006904900000000, -0.0007119100000000 ] - [ -0.0020006800000000, -0.0040543900000000, 0.0040403800000000 ] - [ 0.0002883300000000, 0.0008267400000000, 0.0010659700000000 ] - [ 0.0000915600000000, 0.0004097900000000, 0.0007534600000000 ] - [ -0.0004232600000000, 0.0004497500000000, 0.0010897400000000 ] - [ 0.0001962900000000, 0.0008166800000000, 0.0011097500000000 ] - [ 0.0021986800000000, -0.0045305300000000, -0.0067790000000000 ] - [ -0.0004605600000000, 0.0003708900000000, 0.0001396400000000 ] - [ -0.0023255100000000, 0.0096180500000000, 0.0032544400000000 ] - [ -0.0003072100000000, -0.0000589700000000, 0.0021365500000000 ] - [ -0.0020179400000000, 0.0012793500000000, -0.0032849300000000 ] - [ 0.0012839100000000, 0.0004490700000000, 0.0023813900000000 ] - [ -0.0006623300000000, 0.0004586200000000, 0.0016159700000000 ] - [ 0.0427164000000000, -0.0943407000000000, -0.1075029900000000 ] - [ 0.0008022100000000, -0.0008918300000000, 0.0026767100000000 ] - [ -0.0009837800000000, 0.0028226400000000, -0.0071888000000000 ] - [ -0.0010082600000000, -0.0009550500000000, 0.0012282200000000 ] - [ -0.0006578800000000, -0.0005417000000000, 0.0013789700000000 ] - [ 0.0041635500000000, -0.0014916300000000, -0.0010818000000000 ] - [ -0.0037827200000000, -0.0005317800000000, 0.0000802600000000 ] - [ 0.0002332700000000, 0.0003608400000000, 0.0021887800000000 ] - [ -0.0001009800000000, 0.0006374300000000, 0.0026644500000000 ] - [ -0.0004673000000000, -0.0033175200000000, 0.0023619200000000 ] - [ 0.0002414500000000, -0.0002225900000000, -0.0005958700000000 ] - [ -0.0000847100000000, 0.0000560800000000, -0.0009696000000000 ] - [ 0.0001827300000000, -0.0002010700000000, -0.0011821200000000 ] - [ -0.0004984300000000, 0.0000526100000000, -0.0012624400000000 ] - [ 0.0001503000000000, 0.0002527500000000, -0.0010144100000000 ] - [ 0.0021511400000000, -0.0210590000000000, -0.0219484200000000 ] - [ 0.0000091500000000, 0.0006550600000000, -0.0006123500000000 ] - [ -0.0871919300000000, 0.1180893300000000, 0.1695293200000000 ] - [ 0.0001634400000000, 0.0004337100000000, -0.0006878800000000 ] - [ 0.0028751900000000, 0.0003267600000000, 0.0022408200000000 ] - [ 0.0033531600000000, 0.0007929700000000, -0.0027350400000000 ] - [ 0.0012659800000000, 0.0003718800000000, 0.0013080900000000 ] - [ -0.0002663700000000, -0.0009549500000000, 0.0026879800000000 ] - [ -0.0004656800000000, 0.0004434100000000, -0.0010997700000000 ] - [ -0.0001551400000000, 0.0001559900000000, -0.0002486000000000 ] - [ 0.0000298300000000, 0.0002623400000000, -0.0009211200000000 ] - [ 0.0002273400000000, -0.0001221600000000, -0.0002529300000000 ] - [ 0.0000265200000000, 0.0001591800000000, -0.0008336200000000 ] - [ -0.0055023000000000, -0.0072892500000000, -0.0062802900000000 ] - [ -0.0007466000000000, 0.0002399600000000, -0.0008639200000000 ] - [ -0.0016157200000000, -0.0022537700000000, -0.0036532000000000 ] - [ 0.0025939800000000, -0.0009880700000000, -0.0011462000000000 ] - [ 0.0003638100000000, -0.0004617500000000, -0.0008687000000000 ] - [ 0.0004702200000000, 0.0001594900000000, -0.0000085400000000 ] - [ -0.0000529600000000, 0.0003180800000000, -0.0015164000000000 ] - [ 0.0188736000000000, -0.0122605700000000, -0.0149269000000000 ] - [ 0.0006813000000000, -0.0002539900000000, 0.0010724400000000 ] - [ -0.0000751200000000, -0.0001357400000000, -0.0012930100000000 ] - [ -0.0015144100000000, 0.0002697100000000, 0.0022646400000000 ] - [ 0.0002179000000000, -0.0005748300000000, 0.0011413100000000 ] - [ 0.0011929600000000, 0.0008572400000000, -0.0009773400000000 ] - [ -0.0027115000000000, 0.0011307400000000, -0.0015104200000000 ] - [ -0.0006625200000000, -0.0002376600000000, -0.0018941100000000 ] - [ 0.0027834100000000, 0.0009754900000000, -0.0012849500000000 ] - [ -0.0043818700000000, -0.0046240300000000, 0.0069849300000000 ] - [ -0.0003700400000000, 0.0007270200000000, -0.0003980100000000 ] - [ 0.0034541200000000, -0.0008010300000000, 0.0006316100000000 ] - [ 0.0005622800000000, -0.0001656100000000, -0.0008310900000000 ] - [ 0.0002251100000000, -0.0006925400000000, -0.0020207100000000 ] - [ -0.0002185600000000, -0.0000771100000000, -0.0009437900000000 ] - [ -0.0008314700000000, 0.0006310600000000, 0.0026920600000000 ] - [ 0.0002392600000000, -0.0000544600000000, -0.0008306000000000 ] - [ -0.0000473900000000, -0.0008250200000000, -0.0009883300000000 ] - [ 0.0000117000000000, -0.0002506500000000, -0.0013746700000000 ] - [ 0.0000615900000000, 0.0002342800000000, -0.0009428400000000 ] - [ 0.0005435300000000, 0.0000429600000000, 0.0010626000000000 ] - [ -0.0013415900000000, -0.0000378100000000, -0.0026359600000000 ] - [ 0.0013641100000000, -0.0006997700000000, 0.0021322100000000 ] - [ 0.0003733600000000, 0.0002661300000000, -0.0009023900000000 ] - [ 0.0015578100000000, 0.0009539400000000, 0.0021239300000000 ] - [ 0.0002432100000000, -0.0004245400000000, -0.0008011900000000 ] - [ -0.0001085300000000, 0.0002431400000000, -0.0004285400000000 ] - [ 0.0010716800000000, -0.0017292700000000, 0.0011467700000000 ] - [ -0.0009814600000000, 0.0077898100000000, -0.0054669600000000 ] - [ 0.0075426200000000, 0.0076498000000000, 0.0084627100000000 ] - [ 0.0006565100000000, -0.0002520500000000, -0.0005689900000000 ] - [ -0.0024461000000000, 0.0004485100000000, 0.0011099900000000 ] - [ 0.0014354900000000, -0.0014180700000000, -0.0009423800000000 ] - [ 0.0001388400000000, 0.0005699500000000, -0.0003628000000000 ] - [ 0.0001070800000000, 0.0006297900000000, -0.0010974800000000 ] - [ 0.0000850400000000, -0.0002586900000000, -0.0011882000000000 ] - [ -0.0006145900000000, -0.0006446400000000, 0.0013214800000000 ] - [ -0.0001329900000000, -0.0001401000000000, -0.0004173100000000 ] - [ -0.0001953000000000, -0.0006351500000000, 0.0034739400000000 ] - [ -0.0001742100000000, 0.0000362500000000, -0.0011832100000000 ] - [ 0.0002250500000000, 0.0010218000000000, -0.0014859700000000 ] - [ -0.0004105300000000, 0.0006478200000000, -0.0016306900000000 ] - [ -0.0008616500000000, 0.0008631900000000, 0.0019378300000000 ] - [ -0.0005696200000000, 0.0004684700000000, -0.0007950900000000 ] - [ 0.0002600000000000, -0.0001543400000000, -0.0006728800000000 ] - [ 0.0007052100000000, -0.0004484900000000, -0.0007969600000000 ]- atom: 60 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ -0.0029303600000000, -0.0005333400000000, 0.0004621100000000 ] - [ 0.0003117200000000, -0.0004535800000000, 0.0005405300000000 ] - [ -0.0019259600000000, 0.0040764800000000, -0.0042157600000000 ] - [ 0.0055970700000000, -0.0018318900000000, 0.0028795900000000 ] - [ -0.0046158300000000, -0.0003225600000000, 0.0025062300000000 ] - [ -0.0001656100000000, -0.0005947300000000, 0.0005104100000000 ] - [ -0.0001992000000000, -0.0003808000000000, 0.0002064600000000 ] - [ 0.0002769300000000, -0.0001127700000000, 0.0003165200000000 ] - [ 0.0010282300000000, 0.0012091800000000, -0.0023363500000000 ] - [ -0.0001860600000000, -0.0002173600000000, -0.0004896200000000 ] - [ 0.0240468300000000, 0.0012162600000000, 0.0268163500000000 ] - [ 0.0064512300000000, 0.0021855600000000, 0.0018796600000000 ] - [ 0.0002564100000000, 0.0002239700000000, 0.0001084000000000 ] - [ -0.0009685900000000, -0.0007629500000000, -0.0003387400000000 ] - [ 0.0025367800000000, 0.0009559000000000, 0.0014750100000000 ] - [ 0.0001474700000000, -0.0003711600000000, 0.0004108000000000 ] - [ -0.0053191700000000, 0.0004134800000000, 0.0034219700000000 ] - [ 0.0051976500000000, -0.0002034600000000, 0.0029615300000000 ] - [ 0.0002920800000000, 0.0003879200000000, 0.0003287200000000 ] - [ -0.0021471000000000, 0.0008582400000000, -0.0004068700000000 ] - [ 0.0012532100000000, -0.0001828600000000, -0.0007131100000000 ] - [ 0.0007625100000000, -0.0008053700000000, -0.0009160300000000 ] - [ -0.0022691600000000, -0.0001958900000000, 0.0000842200000000 ] - [ -0.0021920100000000, -0.0045792000000000, -0.0044133200000000 ] - [ -0.0029335400000000, -0.0003906800000000, -0.0002456000000000 ] - [ 0.0000829300000000, 0.0006118300000000, -0.0005006100000000 ] - [ 0.0001188400000000, 0.0000999300000000, 0.0000590500000000 ] - [ -0.0004450900000000, -0.0004861500000000, 0.0005788300000000 ] - [ 0.0002490700000000, 0.0005688800000000, -0.0005747900000000 ] - [ -0.0002592500000000, 0.0001274000000000, 0.0000452000000000 ] - [ -0.0006590800000000, 0.0004511000000000, -0.0001177400000000 ] - [ -0.0006835400000000, 0.0009966700000000, -0.0002268600000000 ] - [ 0.0006813700000000, -0.0006232100000000, 0.0010408000000000 ] - [ -0.0041254700000000, 0.0005974500000000, -0.0007677300000000 ] - [ 0.0034846100000000, -0.0027579400000000, -0.0033664300000000 ] - [ -0.0002098500000000, -0.0001284200000000, 0.0007517300000000 ] - [ -0.0013786800000000, 0.0008538200000000, -0.0012970700000000 ] - [ 0.0011526200000000, 0.0003405300000000, 0.0002291600000000 ] - [ 0.0008458900000000, 0.0003387000000000, 0.0015351400000000 ] - [ -0.0010748500000000, 0.0010964600000000, 0.0025362800000000 ] - [ -0.0007947600000000, -0.0009185800000000, 0.0003738800000000 ] - [ 0.0035232200000000, 0.0005222300000000, 0.0002764800000000 ] - [ 0.0002423600000000, -0.0015275800000000, -0.0014968700000000 ] - [ -0.0008021000000000, -0.0003282600000000, 0.0001014900000000 ] - [ -0.0138831300000000, -0.0009195200000000, 0.0015715000000000 ] - [ 0.1936417600000000, 0.0084237800000000, -0.0555723100000000 ] - [ 0.0001654600000000, 0.0002228000000000, 0.0022760500000000 ] - [ -0.0000793500000000, 0.0001866700000000, -0.0003370700000000 ] - [ -0.0004158300000000, -0.0009884000000000, -0.0004835400000000 ] - [ 0.0022094300000000, -0.0000747600000000, -0.0003733100000000 ] - [ 0.0003873000000000, 0.0000851400000000, 0.0005711400000000 ] - [ 0.0006269200000000, -0.0002660000000000, 0.0005742300000000 ] - [ -0.0003904600000000, -0.0000845400000000, -0.0006161000000000 ] - [ 0.0004371200000000, 0.0002804700000000, -0.0001313500000000 ] - [ 0.0030764200000000, 0.0080428900000000, 0.0001789600000000 ] - [ 0.0005015200000000, 0.0006576200000000, -0.0015600100000000 ] - [ 0.0019181600000000, -0.0003132200000000, -0.0034705400000000 ] - [ 0.0005041300000000, 0.0000943600000000, -0.0003516500000000 ] - [ -0.0008070900000000, 0.0002946300000000, 0.0024018600000000 ] - [ -0.2844057500000000, -0.0150560000000000, 0.0307776900000000 ] - [ 0.0243388900000000, 0.0018592900000000, 0.0107160000000000 ] - [ -0.0007761400000000, -0.0007199200000000, 0.0005947200000000 ] - [ 0.0008159000000000, -0.0000858800000000, 0.0001259300000000 ] - [ 0.0000234600000000, 0.0002168100000000, -0.0001317600000000 ] - [ -0.0003509500000000, 0.0002779500000000, -0.0001334900000000 ] - [ -0.0007231700000000, 0.0000281000000000, 0.0010147800000000 ] - [ 0.0002634600000000, 0.0001950900000000, 0.0001697200000000 ] - [ -0.0002105800000000, -0.0008415500000000, -0.0002297900000000 ] - [ 0.0053951400000000, 0.0005931300000000, 0.0008831500000000 ] - [ 0.0003073200000000, 0.0006019200000000, 0.0004759800000000 ] - [ -0.0022738500000000, 0.0001768200000000, 0.0009266400000000 ] - [ 0.0000677900000000, 0.0001315000000000, 0.0004545900000000 ] - [ 0.0016788000000000, 0.0002604000000000, 0.0003971000000000 ] - [ -0.0002116500000000, 0.0053379900000000, 0.0071931600000000 ] - [ 0.0008537600000000, 0.0001433700000000, -0.0005962500000000 ] - [ -0.0014045100000000, 0.0006995000000000, 0.0006440600000000 ] - [ -0.0002741600000000, 0.0001617500000000, -0.0009202400000000 ] - [ -0.0003818600000000, 0.0001813500000000, -0.0001198600000000 ] - [ 0.0000300600000000, -0.0002892900000000, -0.0001234500000000 ] - [ 0.0059438900000000, 0.0070491100000000, -0.0098864500000000 ] - [ 0.0192714800000000, -0.0015627400000000, -0.0027170900000000 ] - [ 0.0001559500000000, -0.0001298000000000, -0.0007931800000000 ] - [ 0.0001430500000000, -0.0002601700000000, 0.0002102300000000 ] - [ 0.0003854200000000, -0.0005812100000000, -0.0012582500000000 ] - [ 0.0006637900000000, 0.0009103800000000, 0.0006575700000000 ] - [ -0.0016529600000000, -0.0022302100000000, 0.0014104200000000 ] - [ 0.0012532200000000, -0.0001541100000000, -0.0008161700000000 ] - [ 0.0003458600000000, -0.0002656200000000, -0.0001376100000000 ] - [ -0.0001889900000000, 0.0001829900000000, -0.0002070100000000 ] - [ -0.0009973200000000, -0.0000160200000000, -0.0003291200000000 ] - [ -0.0001465400000000, -0.0015014300000000, -0.0023313700000000 ] - [ -0.0002405500000000, -0.0002911300000000, 0.0000451300000000 ] - [ 0.0000595500000000, -0.0000848500000000, 0.0007780300000000 ] - [ 0.0001729200000000, -0.0024356100000000, 0.0057369800000000 ] - [ -0.0000598200000000, 0.0002607500000000, 0.0002392200000000 ] - [ -0.0003405900000000, -0.0001902200000000, -0.0006896100000000 ] - [ 0.0006981900000000, -0.0001328200000000, 0.0003676000000000 ] - [ 0.0003221500000000, 0.0001102400000000, -0.0002645200000000 ] - [ 0.0007202800000000, 0.0002508100000000, 0.0010092700000000 ] - [ -0.0017191200000000, -0.0005695200000000, -0.0001655600000000 ] - [ 0.0000539100000000, 0.0001997200000000, 0.0003361000000000 ] - [ 0.0005822300000000, -0.0007283800000000, -0.0002777000000000 ] - [ 0.0000462600000000, -0.0000418100000000, 0.0001046000000000 ] - [ -0.0031713100000000, -0.0001689800000000, -0.0017898600000000 ] - [ 0.0106443900000000, -0.0090993800000000, -0.0113699500000000 ] - [ 0.0052831500000000, 0.0000037700000000, -0.0006704600000000 ] - [ 0.0000260900000000, -0.0002696400000000, -0.0000912100000000 ] - [ 0.0002131100000000, 0.0016342800000000, -0.0014050900000000 ] - [ -0.0001646100000000, 0.0003353400000000, -0.0005411500000000 ] - [ -0.0001605100000000, -0.0000809200000000, -0.0000084500000000 ] - [ 0.0019534900000000, 0.0001474000000000, 0.0012198900000000 ] - [ 0.0019868500000000, -0.0005968100000000, -0.0001300100000000 ] - [ 0.0001409300000000, -0.0004311600000000, -0.0010566900000000 ] - [ -0.0003642200000000, 0.0002903500000000, -0.0000847900000000 ] - [ -0.0000354100000000, 0.0013518200000000, 0.0003994500000000 ] - [ -0.0009282400000000, 0.0006403200000000, -0.0016127200000000 ] - [ 0.0061178900000000, 0.0001813100000000, -0.0009599300000000 ] - [ -0.0007596400000000, -0.0000500500000000, 0.0003100800000000 ] - [ 0.0002022700000000, -0.0002741200000000, 0.0000176900000000 ] - [ 0.0006354400000000, -0.0003393800000000, -0.0000578700000000 ]- atom: 60 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ 0.0028038700000000, 0.0000266700000000, -0.0005234700000000 ] - [ -0.0000939300000000, -0.0002584800000000, -0.0000562500000000 ] - [ 0.0024452000000000, -0.0051021800000000, 0.0036793300000000 ] - [ -0.0063270200000000, 0.0009090800000000, -0.0033850800000000 ] - [ 0.0048754400000000, 0.0010430200000000, -0.0020260100000000 ] - [ -0.0001244500000000, -0.0005969500000000, 0.0004915600000000 ] - [ -0.0003378900000000, -0.0005791200000000, 0.0003714300000000 ] - [ -0.0001230700000000, -0.0003867500000000, -0.0002378500000000 ] - [ -0.0012605600000000, 0.0004300400000000, 0.0025190600000000 ] - [ 0.0000419700000000, -0.0000833700000000, 0.0001794300000000 ] - [ -0.0229866000000000, 0.0000461600000000, -0.0240868600000000 ] - [ -0.0057796100000000, -0.0013484000000000, -0.0012896100000000 ] - [ -0.0004753500000000, 0.0004897900000000, -0.0005981700000000 ] - [ 0.0007505400000000, -0.0008778500000000, 0.0005048100000000 ] - [ -0.0022891400000000, -0.0016095000000000, -0.0021218000000000 ] - [ 0.0005791700000000, -0.0004737300000000, 0.0001829000000000 ] - [ 0.0055021400000000, 0.0000819000000000, -0.0033853500000000 ] - [ -0.0054934800000000, 0.0008359400000000, -0.0023496200000000 ] - [ -0.0004480000000000, 0.0001096000000000, -0.0004129400000000 ] - [ 0.0023098600000000, -0.0011738700000000, 0.0007099200000000 ] - [ -0.0009762900000000, -0.0009975900000000, -0.0002735200000000 ] - [ -0.0005406000000000, -0.0008231100000000, 0.0007482100000000 ] - [ 0.0020600500000000, -0.0005084200000000, -0.0005790900000000 ] - [ 0.0020511400000000, 0.0049472500000000, 0.0041636100000000 ] - [ 0.0024274800000000, 0.0013576300000000, 0.0008298700000000 ] - [ 0.0002071000000000, 0.0005797300000000, -0.0005023400000000 ] - [ 0.0000228400000000, 0.0002027800000000, 0.0002509400000000 ] - [ 0.0002064100000000, -0.0001456600000000, 0.0000537600000000 ] - [ 0.0002855100000000, 0.0003869500000000, -0.0000025000000000 ] - [ 0.0005018100000000, 0.0005059900000000, -0.0006806600000000 ] - [ -0.0000638300000000, 0.0003932500000000, -0.0004773900000000 ] - [ 0.0009104400000000, 0.0006426900000000, 0.0000671500000000 ] - [ 0.0001519000000000, -0.0001838600000000, -0.0003973400000000 ] - [ 0.0022048200000000, 0.0000511000000000, 0.0006076100000000 ] - [ -0.0036739800000000, 0.0030899200000000, 0.0043726100000000 ] - [ 0.0000236900000000, -0.0001871400000000, 0.0002434100000000 ] - [ -0.0002721000000000, 0.0010128100000000, -0.0003329100000000 ] - [ 0.0007834000000000, 0.0003078800000000, -0.0000722600000000 ] - [ -0.0016799200000000, 0.0004678300000000, -0.0021920500000000 ] - [ 0.0002613000000000, -0.0019051500000000, -0.0031778500000000 ] - [ 0.0024549600000000, -0.0009420800000000, 0.0012638000000000 ] - [ -0.0019306800000000, 0.0013499000000000, 0.0013410100000000 ] - [ -0.0018967200000000, -0.0003324900000000, -0.0001323300000000 ] - [ -0.0011375700000000, -0.0003205700000000, -0.0002608800000000 ] - [ 0.0159294900000000, 0.0002711200000000, -0.0014398600000000 ] - [ -0.2048241100000000, -0.0095704100000000, 0.0591357100000000 ] - [ 0.0006602300000000, 0.0005847000000000, -0.0016453500000000 ] - [ 0.0002669700000000, 0.0001293600000000, -0.0006602900000000 ] - [ -0.0001308900000000, 0.0005185900000000, 0.0004857100000000 ] - [ -0.0010198300000000, -0.0000305800000000, -0.0002126700000000 ] - [ 0.0003324600000000, 0.0000822300000000, 0.0005236200000000 ] - [ -0.0004329100000000, -0.0002414200000000, -0.0005626500000000 ] - [ -0.0003293200000000, -0.0000845400000000, -0.0004788400000000 ] - [ -0.0002775800000000, 0.0001797600000000, -0.0001275900000000 ] - [ -0.0026177700000000, -0.0081891600000000, -0.0003793000000000 ] - [ -0.0001288400000000, 0.0006504200000000, 0.0024952900000000 ] - [ -0.0019697500000000, -0.0002623800000000, 0.0032318100000000 ] - [ 0.0006947300000000, 0.0000081200000000, -0.0002367700000000 ] - [ 0.0010255100000000, 0.0002138500000000, -0.0024184300000000 ] - [ 0.2941910900000000, 0.0153425800000000, -0.0374062900000000 ] - [ -0.0243526300000000, -0.0021226300000000, -0.0099656000000000 ] - [ 0.0002738400000000, -0.0010229600000000, 0.0003294700000000 ] - [ -0.0015218400000000, 0.0001405800000000, -0.0004816900000000 ] - [ 0.0001735600000000, 0.0003137000000000, 0.0000008800000000 ] - [ -0.0001536800000000, 0.0002784100000000, -0.0000180300000000 ] - [ 0.0015444100000000, -0.0003945600000000, 0.0007280200000000 ] - [ -0.0001348100000000, 0.0003043600000000, 0.0001043800000000 ] - [ 0.0005802500000000, -0.0004683400000000, 0.0011521100000000 ] - [ -0.0058574100000000, -0.0002074400000000, -0.0019320600000000 ] - [ -0.0010326700000000, -0.0004352800000000, -0.0015689400000000 ] - [ 0.0032893500000000, 0.0004519700000000, -0.0009102400000000 ] - [ 0.0006299500000000, -0.0000778900000000, -0.0001027400000000 ] - [ -0.0011761400000000, 0.0002944400000000, -0.0002501800000000 ] - [ 0.0000700900000000, -0.0048614700000000, -0.0074733200000000 ] - [ -0.0013136800000000, 0.0004546800000000, 0.0007153700000000 ] - [ 0.0015850300000000, -0.0011753100000000, -0.0009105700000000 ] - [ 0.0001200700000000, 0.0002499400000000, 0.0000183100000000 ] - [ 0.0008374800000000, 0.0004173700000000, 0.0000010000000000 ] - [ 0.0000256600000000, -0.0002894100000000, 0.0003463900000000 ] - [ -0.0055394500000000, -0.0067792300000000, 0.0101318800000000 ] - [ -0.0196169400000000, 0.0009673800000000, 0.0025602300000000 ] - [ -0.0009735100000000, -0.0002379200000000, -0.0009520500000000 ] - [ -0.0003029800000000, -0.0001996600000000, 0.0000471200000000 ] - [ -0.0005491200000000, 0.0001715000000000, 0.0003472600000000 ] - [ -0.0011817700000000, 0.0008308600000000, 0.0002588400000000 ] - [ 0.0018613300000000, 0.0016914800000000, -0.0011120200000000 ] - [ -0.0008059400000000, -0.0004456500000000, 0.0007032200000000 ] - [ 0.0001899900000000, -0.0002077200000000, 0.0001350000000000 ] - [ -0.0003487600000000, 0.0002919900000000, 0.0002123200000000 ] - [ 0.0003149300000000, -0.0000326800000000, -0.0000132100000000 ] - [ 0.0002053700000000, 0.0020893200000000, 0.0025736200000000 ] - [ 0.0000465300000000, -0.0002364900000000, 0.0000878700000000 ] - [ -0.0002591400000000, -0.0004219500000000, -0.0007987600000000 ] - [ -0.0003287400000000, 0.0029383500000000, -0.0055091500000000 ] - [ -0.0001314300000000, 0.0002426600000000, -0.0002560400000000 ] - [ -0.0001077000000000, -0.0001947600000000, -0.0003824900000000 ] - [ 0.0000046000000000, 0.0000788900000000, -0.0000143200000000 ] - [ 0.0001536800000000, 0.0000478700000000, 0.0000730600000000 ] - [ 0.0000928500000000, 0.0001163500000000, 0.0007337700000000 ] - [ 0.0012740600000000, -0.0000267200000000, 0.0002889800000000 ] - [ 0.0003953700000000, 0.0001839700000000, 0.0007376200000000 ] - [ -0.0000705800000000, -0.0010188100000000, -0.0006454400000000 ] - [ 0.0001069900000000, -0.0003680200000000, 0.0008025000000000 ] - [ 0.0023994800000000, 0.0005572500000000, 0.0001381200000000 ] - [ -0.0113201200000000, 0.0095106100000000, 0.0118158800000000 ] - [ -0.0055045500000000, 0.0005543500000000, 0.0007909300000000 ] - [ -0.0001567400000000, -0.0002292600000000, -0.0001852900000000 ] - [ -0.0000616800000000, -0.0012312600000000, 0.0023280500000000 ] - [ 0.0001078400000000, 0.0002410900000000, 0.0003221900000000 ] - [ -0.0003166900000000, -0.0000777800000000, 0.0002021700000000 ] - [ -0.0015171300000000, -0.0005351900000000, -0.0001508800000000 ] - [ -0.0018049800000000, 0.0000680800000000, 0.0000034000000000 ] - [ -0.0005194000000000, -0.0008788900000000, 0.0001373900000000 ] - [ -0.0006365900000000, 0.0003398600000000, 0.0000603700000000 ] - [ 0.0005470000000000, 0.0003854100000000, -0.0013204200000000 ] - [ 0.0005600200000000, 0.0006683200000000, 0.0007036500000000 ] - [ -0.0073451300000000, -0.0001112600000000, 0.0015342400000000 ] - [ -0.0004389100000000, -0.0000533300000000, 0.0002798600000000 ] - [ 0.0003048100000000, -0.0002827600000000, 0.0001347200000000 ] - [ 0.0003666000000000, -0.0002902500000000, 0.0000828000000000 ]- atom: 60 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016328100000000, -0.0000503800000000, 0.0004289800000000 ] - [ 0.0001115700000000, -0.0003465100000000, 0.0004983300000000 ] - [ 0.0016103800000000, 0.0016231700000000, -0.0010132700000000 ] - [ 0.0021047100000000, 0.0178847600000000, -0.0195771700000000 ] - [ -0.0038865900000000, 0.0002071900000000, 0.0021049700000000 ] - [ -0.0001520200000000, -0.0005923200000000, 0.0006842400000000 ] - [ -0.0002510500000000, -0.0004638800000000, 0.0004772300000000 ] - [ 0.0000860300000000, -0.0002253600000000, 0.0002458100000000 ] - [ 0.0000188100000000, 0.0027006800000000, -0.0002720200000000 ] - [ -0.0001355400000000, -0.0000712200000000, -0.0000470500000000 ] - [ 0.0021776400000000, 0.0032603900000000, 0.0009990300000000 ] - [ 0.0002687300000000, -0.0020955600000000, -0.0018262000000000 ] - [ -0.0000091900000000, 0.0003770300000000, -0.0000291500000000 ] - [ -0.0002174200000000, -0.0007846700000000, 0.0000894200000000 ] - [ 0.0004983700000000, -0.0017080600000000, -0.0033103400000000 ] - [ 0.0003522500000000, -0.0004454900000000, 0.0004829800000000 ] - [ 0.0024372700000000, 0.0009727100000000, -0.0018217700000000 ] - [ 0.0010121200000000, -0.0014813800000000, 0.0038659400000000 ] - [ -0.0000081900000000, 0.0001803800000000, 0.0002294400000000 ] - [ 0.0008733300000000, -0.0014237100000000, -0.0000377200000000 ] - [ 0.0006692600000000, -0.0032250400000000, -0.0011617300000000 ] - [ -0.0001307500000000, -0.0021845600000000, 0.0011242500000000 ] - [ 0.0001563900000000, -0.0006941700000000, -0.0007157300000000 ] - [ -0.0006792000000000, -0.0005278200000000, -0.0012358700000000 ] - [ -0.0011584300000000, 0.0001688900000000, -0.0001102500000000 ] - [ 0.0001244200000000, 0.0005729500000000, -0.0003308500000000 ] - [ 0.0001202300000000, 0.0001079900000000, 0.0003962800000000 ] - [ -0.0001505700000000, -0.0002914700000000, 0.0005028100000000 ] - [ 0.0002716600000000, 0.0004815800000000, -0.0000612900000000 ] - [ 0.0000570900000000, 0.0003639500000000, -0.0001436800000000 ] - [ -0.0004240200000000, 0.0004081900000000, -0.0000422100000000 ] - [ 0.0000013000000000, 0.0006902700000000, 0.0000454700000000 ] - [ 0.0003890200000000, -0.0006024700000000, 0.0006472300000000 ] - [ -0.0013327600000000, -0.0006418600000000, -0.0007296400000000 ] - [ 0.0009307100000000, -0.0075290500000000, -0.0010580500000000 ] - [ -0.0000926100000000, -0.0001511800000000, 0.0008317700000000 ] - [ -0.0007909900000000, 0.0003989800000000, -0.0005606300000000 ] - [ 0.0009763100000000, 0.0003617200000000, 0.0004145600000000 ] - [ -0.0007820800000000, 0.0007296100000000, 0.0003611800000000 ] - [ -0.0006992000000000, 0.0010336900000000, 0.0003131400000000 ] - [ 0.0009140000000000, -0.0002601600000000, 0.0009320000000000 ] - [ 0.0012564700000000, 0.0011701500000000, 0.0009866000000000 ] - [ -0.0005811000000000, -0.0016293600000000, -0.0007262900000000 ] - [ -0.0009729100000000, -0.0003338500000000, 0.0002309800000000 ] - [ 0.0000506600000000, -0.0005435600000000, -0.0002864300000000 ] - [ 0.0049107500000000, 0.0304711700000000, -0.0058596500000000 ] - [ 0.0007065600000000, -0.0019255800000000, 0.0002988700000000 ] - [ 0.0000817900000000, 0.0001722300000000, -0.0001808600000000 ] - [ -0.0019164400000000, 0.0039282500000000, 0.0000621100000000 ] - [ 0.0009694800000000, 0.0005320200000000, 0.0000408700000000 ] - [ 0.0003056400000000, 0.0000888400000000, 0.0003451500000000 ] - [ -0.0000213600000000, -0.0005240000000000, -0.0002631500000000 ] - [ -0.0004274300000000, -0.0000772000000000, -0.0007570500000000 ] - [ 0.0001562600000000, 0.0002076500000000, -0.0002236200000000 ] - [ 0.0052471200000000, 0.0088522500000000, 0.0002841700000000 ] - [ 0.0004571700000000, -0.0003315800000000, 0.0000653300000000 ] - [ 0.0003905400000000, -0.0007168000000000, -0.0011504700000000 ] - [ 0.0006108500000000, 0.0001162700000000, -0.0004449700000000 ] - [ -0.0001484500000000, 0.0001022300000000, 0.0004506000000000 ] - [ -0.0161252300000000, -0.0556622300000000, 0.0303232900000000 ] - [ 0.0053774600000000, -0.0054833700000000, 0.0028177700000000 ] - [ -0.0002519400000000, -0.0013907300000000, 0.0001665200000000 ] - [ -0.0001263300000000, -0.0004479000000000, 0.0000612000000000 ] - [ 0.0001180700000000, 0.0002056700000000, -0.0002118900000000 ] - [ -0.0002172600000000, 0.0002749500000000, -0.0002047100000000 ] - [ 0.0002100200000000, 0.0007672000000000, 0.0008120000000000 ] - [ 0.0000827700000000, 0.0002776600000000, -0.0000087300000000 ] - [ 0.0001232400000000, -0.0008504300000000, 0.0002456600000000 ] - [ 0.0001597200000000, -0.0011431300000000, -0.0004709100000000 ] - [ -0.0000375700000000, 0.0015699900000000, 0.0003568300000000 ] - [ 0.0003627700000000, 0.0023691100000000, 0.0003749500000000 ] - [ 0.0003136100000000, 0.0002019000000000, 0.0000915700000000 ] - [ 0.0002328800000000, 0.0011591700000000, 0.0005071500000000 ] - [ 0.0013442300000000, 0.0015683900000000, 0.0042397700000000 ] - [ 0.0000403100000000, 0.0001007200000000, -0.0001264800000000 ] - [ 0.0004283300000000, 0.0015910900000000, 0.0006363700000000 ] - [ -0.0000351100000000, -0.0000999600000000, -0.0006831100000000 ] - [ 0.0002821600000000, 0.0006668700000000, -0.0000537200000000 ] - [ 0.0000549300000000, -0.0001958600000000, -0.0000251000000000 ] - [ 0.0143035300000000, 0.0024099000000000, -0.0097167000000000 ] - [ -0.0009522800000000, -0.0010130100000000, 0.0003171800000000 ] - [ -0.0003779000000000, -0.0002773300000000, -0.0009710900000000 ] - [ -0.0000780200000000, -0.0002578600000000, 0.0000242400000000 ] - [ -0.0001523400000000, -0.0006983900000000, -0.0001100900000000 ] - [ -0.0004636000000000, 0.0007359700000000, 0.0001264800000000 ] - [ -0.0043124100000000, 0.0038299600000000, -0.0040621200000000 ] - [ 0.0002943500000000, 0.0001359600000000, -0.0001423800000000 ] - [ 0.0002760700000000, -0.0003081400000000, -0.0001745900000000 ] - [ -0.0002541400000000, 0.0001561000000000, -0.0001913100000000 ] - [ -0.0004953500000000, -0.0001549500000000, -0.0003836600000000 ] - [ -0.0001204600000000, 0.0017069100000000, 0.0014988700000000 ] - [ -0.0001009900000000, -0.0003229900000000, -0.0000902800000000 ] - [ -0.0001070300000000, 0.0001750300000000, 0.0001574200000000 ] - [ -0.0017897700000000, 0.0011169600000000, -0.0037957000000000 ] - [ -0.0001834800000000, 0.0004687400000000, -0.0002227300000000 ] - [ -0.0002827500000000, -0.0001950500000000, -0.0007387300000000 ] - [ -0.0001331500000000, 0.0002713500000000, -0.0001100000000000 ] - [ 0.0002473100000000, 0.0001511000000000, -0.0002555700000000 ] - [ 0.0003733500000000, 0.0002528300000000, 0.0007130900000000 ] - [ -0.0000504200000000, -0.0009008300000000, -0.0006086000000000 ] - [ 0.0001555200000000, 0.0001933600000000, 0.0003462000000000 ] - [ 0.0003163800000000, -0.0006731400000000, -0.0003382100000000 ] - [ 0.0000791700000000, -0.0001409800000000, 0.0002915900000000 ] - [ -0.0006870900000000, -0.0016625900000000, -0.0010290500000000 ] - [ -0.0130244000000000, -0.0009491300000000, 0.0078207300000000 ] - [ 0.0006343700000000, -0.0005843900000000, 0.0005004300000000 ] - [ -0.0000831200000000, -0.0002441000000000, -0.0002421300000000 ] - [ 0.0002831000000000, 0.0023229100000000, -0.0012315000000000 ] - [ 0.0000768000000000, 0.0003267200000000, -0.0003708200000000 ] - [ -0.0002145800000000, -0.0000274900000000, -0.0000527900000000 ] - [ 0.0008505800000000, 0.0004237000000000, 0.0009091200000000 ] - [ -0.0001235000000000, 0.0000190700000000, -0.0000030200000000 ] - [ -0.0001934100000000, -0.0003003900000000, -0.0006203000000000 ] - [ -0.0004764300000000, 0.0002916100000000, -0.0001721000000000 ] - [ 0.0001872400000000, 0.0011920900000000, -0.0001546700000000 ] - [ -0.0003546400000000, 0.0011348700000000, -0.0006554400000000 ] - [ -0.0003348600000000, 0.0002702800000000, 0.0004488000000000 ] - [ -0.0006107100000000, -0.0000340200000000, 0.0001730600000000 ] - [ 0.0003106000000000, -0.0002701700000000, -0.0000468600000000 ] - [ 0.0005275800000000, -0.0003364900000000, -0.0001478500000000 ]- atom: 60 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014765900000000, -0.0004433000000000, -0.0004910400000000 ] - [ 0.0001055500000000, -0.0003659000000000, -0.0000104200000000 ] - [ -0.0010758000000000, -0.0025636300000000, 0.0004175100000000 ] - [ -0.0026408900000000, -0.0183611900000000, 0.0180316100000000 ] - [ 0.0041126600000000, 0.0005036600000000, -0.0016013800000000 ] - [ -0.0001381500000000, -0.0005996000000000, 0.0003195700000000 ] - [ -0.0002836100000000, -0.0004931500000000, 0.0001032700000000 ] - [ 0.0000672200000000, -0.0002733400000000, -0.0001632500000000 ] - [ -0.0002393200000000, -0.0010629300000000, 0.0004337400000000 ] - [ -0.0000084700000000, -0.0002304000000000, -0.0002636600000000 ] - [ -0.0026996700000000, -0.0020809500000000, -0.0002619600000000 ] - [ 0.0004700800000000, 0.0029462100000000, 0.0024022800000000 ] - [ -0.0002072300000000, 0.0003358200000000, -0.0004554600000000 ] - [ -0.0000050600000000, -0.0008569000000000, 0.0000701800000000 ] - [ -0.0002626600000000, 0.0010800400000000, 0.0027024700000000 ] - [ 0.0003731600000000, -0.0003991200000000, 0.0001128600000000 ] - [ -0.0023029100000000, -0.0004749000000000, 0.0018969800000000 ] - [ -0.0012505800000000, 0.0021143200000000, -0.0032437800000000 ] - [ -0.0001444700000000, 0.0003188000000000, -0.0003084100000000 ] - [ -0.0007346200000000, 0.0011151500000000, 0.0003392800000000 ] - [ -0.0003661600000000, 0.0020343600000000, 0.0001575400000000 ] - [ 0.0003498700000000, 0.0005463000000000, -0.0012784300000000 ] - [ -0.0003920800000000, -0.0000245800000000, 0.0002140900000000 ] - [ 0.0005436600000000, 0.0008135100000000, 0.0009178200000000 ] - [ 0.0006291600000000, 0.0007941400000000, 0.0006917300000000 ] - [ 0.0001651900000000, 0.0006191500000000, -0.0006712000000000 ] - [ 0.0000245500000000, 0.0001936500000000, -0.0000824200000000 ] - [ -0.0000893500000000, -0.0003394700000000, 0.0001305500000000 ] - [ 0.0002628700000000, 0.0004758400000000, -0.0005167900000000 ] - [ 0.0001821800000000, 0.0002681800000000, -0.0004875600000000 ] - [ -0.0003015900000000, 0.0004363500000000, -0.0005500400000000 ] - [ 0.0002191000000000, 0.0009511000000000, -0.0002049100000000 ] - [ 0.0004364500000000, -0.0002035300000000, 0.0000010700000000 ] - [ -0.0006060700000000, 0.0012916500000000, 0.0005658200000000 ] - [ -0.0011282300000000, 0.0078388100000000, 0.0020415600000000 ] - [ -0.0000925700000000, -0.0001636400000000, 0.0001682400000000 ] - [ -0.0008555600000000, 0.0014602600000000, -0.0010731700000000 ] - [ 0.0009590400000000, 0.0002860900000000, -0.0002539200000000 ] - [ -0.0000474500000000, 0.0000755300000000, -0.0010013200000000 ] - [ -0.0001296200000000, -0.0018404500000000, -0.0009519100000000 ] - [ 0.0007324500000000, -0.0016011200000000, 0.0007063300000000 ] - [ 0.0003918800000000, 0.0006949200000000, 0.0006414100000000 ] - [ -0.0010666600000000, -0.0002305500000000, -0.0009082500000000 ] - [ -0.0009643000000000, -0.0003138100000000, -0.0003854200000000 ] - [ 0.0018636300000000, -0.0001019900000000, 0.0004467500000000 ] - [ -0.0036675500000000, -0.0306671500000000, 0.0044464500000000 ] - [ 0.0001223500000000, 0.0027335900000000, 0.0003475400000000 ] - [ 0.0001041800000000, 0.0001433100000000, -0.0008141500000000 ] - [ 0.0014040300000000, -0.0044234900000000, -0.0000692900000000 ] - [ 0.0002305100000000, -0.0006320400000000, -0.0006283900000000 ] - [ 0.0004140500000000, 0.0000796500000000, 0.0007486400000000 ] - [ 0.0002194600000000, 0.0000170700000000, 0.0002783200000000 ] - [ -0.0002951900000000, -0.0000909200000000, -0.0003414700000000 ] - [ 0.0000049300000000, 0.0002543000000000, -0.0000364200000000 ] - [ -0.0046895700000000, -0.0089370600000000, -0.0004936700000000 ] - [ -0.0000836600000000, 0.0016421900000000, 0.0008558000000000 ] - [ -0.0004501900000000, 0.0001452600000000, 0.0009188700000000 ] - [ 0.0005869200000000, -0.0000136400000000, -0.0001447300000000 ] - [ 0.0003436200000000, 0.0004038000000000, -0.0004292200000000 ] - [ 0.0142757700000000, 0.0544791400000000, -0.0288649100000000 ] - [ -0.0046337300000000, 0.0053382100000000, -0.0017101900000000 ] - [ -0.0002587000000000, -0.0003488600000000, 0.0007490400000000 ] - [ -0.0005678500000000, 0.0005016100000000, -0.0004167600000000 ] - [ 0.0000770900000000, 0.0003241600000000, 0.0000792800000000 ] - [ -0.0002859900000000, 0.0002820400000000, 0.0000523500000000 ] - [ 0.0006035900000000, -0.0011347200000000, 0.0009349700000000 ] - [ 0.0000482200000000, 0.0002201900000000, 0.0002825200000000 ] - [ 0.0002503000000000, -0.0004584300000000, 0.0006721700000000 ] - [ -0.0006013300000000, 0.0015300900000000, -0.0006013600000000 ] - [ -0.0006753300000000, -0.0013996600000000, -0.0014376700000000 ] - [ 0.0006379500000000, -0.0017372700000000, -0.0003453800000000 ] - [ 0.0003817200000000, -0.0001486200000000, 0.0002622100000000 ] - [ 0.0002726200000000, -0.0006039400000000, -0.0003521700000000 ] - [ -0.0014730200000000, -0.0010888800000000, -0.0045055000000000 ] - [ -0.0004958200000000, 0.0004973700000000, 0.0002466400000000 ] - [ -0.0002773700000000, -0.0020515900000000, -0.0009013700000000 ] - [ -0.0001198900000000, 0.0005114800000000, -0.0002246900000000 ] - [ 0.0001763300000000, -0.0000696500000000, -0.0000691900000000 ] - [ 0.0000025100000000, -0.0003806500000000, 0.0002471100000000 ] - [ -0.0139114800000000, -0.0019775100000000, 0.0098483700000000 ] - [ 0.0004382900000000, 0.0004555100000000, -0.0004658100000000 ] - [ -0.0004368200000000, -0.0000901600000000, -0.0007759100000000 ] - [ -0.0000826400000000, -0.0002025100000000, 0.0002352700000000 ] - [ -0.0000002000000000, 0.0002888700000000, -0.0007989300000000 ] - [ -0.0000455000000000, 0.0010047100000000, 0.0007904100000000 ] - [ 0.0043939100000000, -0.0042953000000000, 0.0042941700000000 ] - [ 0.0001640200000000, -0.0007342500000000, 0.0000201300000000 ] - [ 0.0002619000000000, -0.0001670100000000, 0.0001694100000000 ] - [ -0.0002822600000000, 0.0003204600000000, 0.0001959200000000 ] - [ -0.0002013200000000, 0.0001015500000000, 0.0000286300000000 ] - [ 0.0001775600000000, -0.0011374200000000, -0.0012823200000000 ] - [ -0.0000943200000000, -0.0002054800000000, 0.0002219800000000 ] - [ -0.0000918800000000, -0.0006817200000000, -0.0001723600000000 ] - [ 0.0016299100000000, -0.0006462000000000, 0.0040598100000000 ] - [ -0.0000165000000000, 0.0000385700000000, 0.0002039300000000 ] - [ -0.0001653300000000, -0.0001895200000000, -0.0003355100000000 ] - [ 0.0008245500000000, -0.0003249300000000, 0.0004637600000000 ] - [ 0.0002290500000000, 0.0000053400000000, 0.0000636900000000 ] - [ 0.0004406700000000, 0.0001144200000000, 0.0010303700000000 ] - [ -0.0004067200000000, 0.0003039300000000, 0.0007288300000000 ] - [ 0.0002897600000000, 0.0001904600000000, 0.0007222700000000 ] - [ 0.0001921400000000, -0.0010660200000000, -0.0005789500000000 ] - [ 0.0000774300000000, -0.0002696400000000, 0.0006143800000000 ] - [ -0.0001276500000000, 0.0020378900000000, -0.0007108000000000 ] - [ 0.0124654600000000, 0.0010909200000000, -0.0075620100000000 ] - [ -0.0008205700000000, 0.0011113000000000, -0.0003687200000000 ] - [ -0.0000475800000000, -0.0002536500000000, -0.0000330300000000 ] - [ -0.0001280700000000, -0.0019124100000000, 0.0021400000000000 ] - [ -0.0001342600000000, 0.0002510400000000, 0.0001461400000000 ] - [ -0.0002611300000000, -0.0001264600000000, 0.0002422300000000 ] - [ -0.0003960800000000, -0.0008061400000000, 0.0001656800000000 ] - [ 0.0003219800000000, -0.0005543100000000, -0.0001250700000000 ] - [ -0.0001787000000000, -0.0010078200000000, -0.0003002000000000 ] - [ -0.0005245800000000, 0.0003393400000000, 0.0001470000000000 ] - [ 0.0003216500000000, 0.0005492400000000, -0.0007639400000000 ] - [ -0.0000211400000000, 0.0001717600000000, -0.0002670500000000 ] - [ -0.0008500000000000, -0.0001626300000000, 0.0001410300000000 ] - [ -0.0005892200000000, -0.0000687600000000, 0.0004163900000000 ] - [ 0.0001963600000000, -0.0002870900000000, 0.0001973700000000 ] - [ 0.0004761100000000, -0.0002946900000000, 0.0001701600000000 ]- atom: 60 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ 0.0025263500000000, 0.0005195200000000, 0.0009159100000000 ] - [ 0.0000700500000000, -0.0001603500000000, -0.0013195100000000 ] - [ -0.0010600100000000, -0.0021862000000000, 0.0018885000000000 ] - [ -0.0045500500000000, -0.0140380300000000, 0.0200173600000000 ] - [ 0.0060601600000000, 0.0007514400000000, -0.0017791300000000 ] - [ -0.0001283000000000, -0.0005778400000000, -0.0007418400000000 ] - [ -0.0006210800000000, -0.0012638300000000, -0.0009774500000000 ] - [ 0.0002326200000000, -0.0005307600000000, -0.0015515300000000 ] - [ -0.0006267700000000, 0.0004854300000000, -0.0010677600000000 ] - [ -0.0000807700000000, 0.0000341700000000, -0.0013307400000000 ] - [ 0.0135246400000000, -0.0001867000000000, 0.0201936000000000 ] - [ -0.0025174000000000, -0.0035760100000000, -0.0000461200000000 ] - [ -0.0004084500000000, 0.0003925100000000, -0.0018246000000000 ] - [ 0.0000368900000000, -0.0010671100000000, -0.0005537600000000 ] - [ 0.0001657700000000, -0.0046207000000000, -0.0018678600000000 ] - [ 0.0004286800000000, -0.0005105400000000, -0.0008445300000000 ] - [ 0.0052742000000000, 0.0002523700000000, -0.0026117200000000 ] - [ -0.0026358100000000, 0.0023114000000000, -0.0033230600000000 ] - [ -0.0003598800000000, 0.0001992500000000, -0.0016194700000000 ] - [ -0.0005458900000000, 0.0012374800000000, 0.0013969200000000 ] - [ -0.0010423800000000, 0.0001222000000000, 0.0034427800000000 ] - [ -0.0000621100000000, 0.0001739900000000, -0.0010106500000000 ] - [ 0.0016184200000000, -0.0008056500000000, 0.0008573300000000 ] - [ -0.0006626900000000, 0.0012756200000000, 0.0020512200000000 ] - [ -0.0007351900000000, -0.0005916600000000, 0.0013148300000000 ] - [ 0.0002818600000000, 0.0006058700000000, -0.0016848800000000 ] - [ -0.0002459100000000, 0.0005990700000000, -0.0012123100000000 ] - [ 0.0000364400000000, -0.0001659600000000, -0.0007233300000000 ] - [ 0.0002627800000000, 0.0002640200000000, -0.0014390900000000 ] - [ 0.0003468100000000, 0.0002501900000000, -0.0015253000000000 ] - [ -0.0001732300000000, 0.0004909800000000, -0.0016694400000000 ] - [ 0.0005176900000000, 0.0008054500000000, -0.0009172500000000 ] - [ 0.0012008900000000, -0.0001939600000000, -0.0009563600000000 ] - [ 0.0011819100000000, 0.0000092900000000, 0.0036986400000000 ] - [ -0.0032797300000000, 0.0032171500000000, 0.0086606100000000 ] - [ -0.0001105800000000, -0.0002333300000000, -0.0015958100000000 ] - [ -0.0010546800000000, 0.0011072400000000, -0.0012698300000000 ] - [ 0.0009630700000000, 0.0002921800000000, -0.0021172200000000 ] - [ -0.0002767700000000, 0.0002567400000000, -0.0033975500000000 ] - [ 0.0017245300000000, -0.0022642400000000, -0.0038909900000000 ] - [ 0.0012470600000000, -0.0010789100000000, -0.0004534800000000 ] - [ -0.0046365500000000, 0.0029357800000000, -0.0035135800000000 ] - [ -0.0016328300000000, -0.0010022200000000, -0.0021531300000000 ] - [ -0.0009472300000000, -0.0004217000000000, -0.0022199600000000 ] - [ 0.0060223100000000, -0.0000874800000000, 0.0043098100000000 ] - [ -0.1443361200000000, -0.0096867500000000, 0.0788890100000000 ] - [ 0.0009502000000000, 0.0010021000000000, -0.0022578600000000 ] - [ 0.0001686500000000, 0.0000868600000000, -0.0025719500000000 ] - [ -0.0005743500000000, 0.0011084400000000, -0.0018144600000000 ] - [ -0.0004069300000000, -0.0006797700000000, -0.0012799100000000 ] - [ 0.0006862100000000, 0.0000355300000000, 0.0017624300000000 ] - [ 0.0001389500000000, -0.0002341500000000, 0.0009683800000000 ] - [ 0.0000353200000000, -0.0001273200000000, 0.0006633900000000 ] - [ -0.0001246800000000, 0.0002835300000000, 0.0006759800000000 ] - [ -0.0033642600000000, -0.0089062200000000, -0.0033583500000000 ] - [ -0.0002744500000000, 0.0008154500000000, 0.0023925600000000 ] - [ -0.0028269100000000, -0.0009031900000000, 0.0031623000000000 ] - [ 0.0004725900000000, -0.0003637800000000, 0.0007257700000000 ] - [ 0.0020193100000000, 0.0002715200000000, -0.0007601300000000 ] - [ 0.1651578300000000, 0.0325207500000000, -0.1381414000000000 ] - [ 0.0007994200000000, 0.0000298500000000, -0.0083450500000000 ] - [ 0.0006148900000000, -0.0019091800000000, 0.0019283000000000 ] - [ -0.0003954900000000, -0.0001196700000000, 0.0001777800000000 ] - [ -0.0000990300000000, 0.0008406900000000, 0.0010168400000000 ] - [ -0.0005624700000000, 0.0002482500000000, 0.0007835100000000 ] - [ 0.0011296500000000, -0.0005269400000000, 0.0013391500000000 ] - [ 0.0000303800000000, 0.0002714600000000, 0.0009927400000000 ] - [ -0.0000663800000000, -0.0004944400000000, 0.0021625600000000 ] - [ -0.0043415800000000, -0.0000668300000000, -0.0042780700000000 ] - [ -0.0014401900000000, -0.0005087300000000, -0.0041111800000000 ] - [ 0.0025892700000000, 0.0006947000000000, -0.0031152200000000 ] - [ 0.0005421000000000, 0.0002706200000000, 0.0009146900000000 ] - [ -0.0002360200000000, 0.0001671400000000, -0.0018841900000000 ] - [ 0.0029696200000000, 0.0028187400000000, 0.0011557600000000 ] - [ -0.0014250400000000, 0.0003788400000000, 0.0010439400000000 ] - [ 0.0015522000000000, -0.0003391700000000, -0.0012053500000000 ] - [ -0.0001140300000000, 0.0006654600000000, 0.0006422500000000 ] - [ -0.0001147200000000, 0.0004506900000000, 0.0004646300000000 ] - [ -0.0002341200000000, -0.0004451300000000, 0.0008896400000000 ] - [ -0.0148677800000000, -0.0081424000000000, 0.0083740200000000 ] - [ -0.0078018200000000, 0.0003910600000000, -0.0012602100000000 ] - [ -0.0004733300000000, -0.0001388900000000, -0.0000319500000000 ] - [ -0.0000571100000000, -0.0002449600000000, 0.0009127000000000 ] - [ -0.0012978600000000, 0.0005267900000000, 0.0000597400000000 ] - [ -0.0002246300000000, 0.0008292600000000, 0.0009869700000000 ] - [ 0.0047041200000000, -0.0044450500000000, 0.0018134900000000 ] - [ -0.0007855300000000, -0.0005960100000000, 0.0010110000000000 ] - [ 0.0002076200000000, 0.0001563900000000, 0.0011199300000000 ] - [ -0.0002975700000000, 0.0006806600000000, 0.0011681900000000 ] - [ 0.0009723300000000, 0.0011829900000000, 0.0024979600000000 ] - [ -0.0001552200000000, 0.0018313600000000, 0.0022558900000000 ] - [ -0.0001473700000000, 0.0001412000000000, 0.0010308800000000 ] - [ 0.0001551700000000, -0.0001942500000000, 0.0000245000000000 ] - [ 0.0029159100000000, -0.0018318100000000, 0.0021540100000000 ] - [ 0.0003066400000000, 0.0000517200000000, 0.0005763500000000 ] - [ 0.0001588700000000, -0.0002360700000000, 0.0008589900000000 ] - [ 0.0008022800000000, -0.0002360700000000, 0.0002382700000000 ] - [ 0.0001308100000000, -0.0002577900000000, 0.0008954100000000 ] - [ 0.0004295100000000, 0.0001270700000000, 0.0013383500000000 ] - [ -0.0002621000000000, 0.0000540300000000, 0.0013608700000000 ] - [ 0.0006851000000000, 0.0001819200000000, 0.0019009400000000 ] - [ 0.0003065300000000, -0.0008686400000000, -0.0005018600000000 ] - [ -0.0000976100000000, -0.0003024200000000, 0.0012288700000000 ] - [ 0.0052333700000000, 0.0024692400000000, 0.0118160000000000 ] - [ -0.0164066200000000, 0.0095193100000000, 0.0064535100000000 ] - [ -0.0017173900000000, 0.0008175400000000, -0.0012115600000000 ] - [ 0.0002436000000000, -0.0001525500000000, 0.0006477100000000 ] - [ -0.0002873400000000, -0.0017012500000000, 0.0027030400000000 ] - [ -0.0002147800000000, -0.0000971900000000, 0.0011337900000000 ] - [ -0.0003685600000000, -0.0003632900000000, 0.0010367300000000 ] - [ -0.0017527300000000, -0.0004896900000000, -0.0017722300000000 ] - [ -0.0012049200000000, 0.0006969900000000, -0.0010787900000000 ] - [ -0.0006082200000000, -0.0009354200000000, -0.0002906200000000 ] - [ -0.0006243200000000, 0.0004656500000000, 0.0010240500000000 ] - [ 0.0004944600000000, 0.0008382000000000, 0.0003177400000000 ] - [ 0.0004689600000000, 0.0005901500000000, 0.0014070600000000 ] - [ -0.0023686000000000, -0.0001284900000000, -0.0005347200000000 ] - [ -0.0006558300000000, -0.0004176000000000, 0.0012617800000000 ] - [ -0.0001591300000000, -0.0002882200000000, 0.0009164300000000 ] - [ 0.0003724800000000, -0.0001590200000000, 0.0009900000000000 ]- atom: 60 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ -0.0026704900000000, -0.0010184700000000, -0.0009844400000000 ] - [ 0.0001486500000000, -0.0005522700000000, 0.0018057600000000 ] - [ 0.0015766600000000, 0.0012321900000000, -0.0024838500000000 ] - [ 0.0039667600000000, 0.0145485100000000, -0.0219879800000000 ] - [ -0.0057804900000000, -0.0000436100000000, 0.0022592400000000 ] - [ -0.0001622500000000, -0.0006136400000000, 0.0017428900000000 ] - [ 0.0000857900000000, 0.0003081800000000, 0.0015566300000000 ] - [ -0.0000788500000000, 0.0000312200000000, 0.0016323200000000 ] - [ 0.0003961500000000, 0.0011485500000000, 0.0012378900000000 ] - [ -0.0000608600000000, -0.0003350000000000, 0.0010182500000000 ] - [ -0.0136360200000000, 0.0013897800000000, -0.0193836400000000 ] - [ 0.0032058500000000, 0.0044065500000000, 0.0006333300000000 ] - [ 0.0001878500000000, 0.0003199300000000, 0.0013348800000000 ] - [ -0.0002592300000000, -0.0005731600000000, 0.0007117700000000 ] - [ 0.0000769200000000, 0.0040041100000000, 0.0012415500000000 ] - [ 0.0002976600000000, -0.0003330300000000, 0.0014358000000000 ] - [ -0.0050936500000000, 0.0002518000000000, 0.0026559000000000 ] - [ 0.0023571300000000, -0.0016648900000000, 0.0039215000000000 ] - [ 0.0002035400000000, 0.0003002200000000, 0.0015353600000000 ] - [ 0.0006930800000000, -0.0015453000000000, -0.0010863900000000 ] - [ 0.0013248000000000, -0.0013059200000000, -0.0044248600000000 ] - [ 0.0002857500000000, -0.0018051300000000, 0.0008386000000000 ] - [ -0.0018471200000000, 0.0000915300000000, -0.0013613900000000 ] - [ 0.0005202400000000, -0.0009816300000000, -0.0023683300000000 ] - [ 0.0002152100000000, 0.0015558400000000, -0.0007265800000000 ] - [ 0.0000094000000000, 0.0005851800000000, 0.0006819400000000 ] - [ 0.0003886400000000, -0.0002983800000000, 0.0015247200000000 ] - [ -0.0002739000000000, -0.0004684800000000, 0.0013540100000000 ] - [ 0.0002738400000000, 0.0006929200000000, 0.0008595100000000 ] - [ -0.0001072200000000, 0.0003845300000000, 0.0008911900000000 ] - [ -0.0005513200000000, 0.0003531900000000, 0.0010750400000000 ] - [ -0.0002916300000000, 0.0008339900000000, 0.0007575500000000 ] - [ -0.0003753900000000, -0.0006115000000000, 0.0015966800000000 ] - [ -0.0030977300000000, 0.0006389200000000, -0.0038438600000000 ] - [ 0.0030930800000000, -0.0028855500000000, -0.0076495900000000 ] - [ -0.0000770900000000, -0.0000824700000000, 0.0025907500000000 ] - [ -0.0005909600000000, 0.0007568700000000, -0.0003717000000000 ] - [ 0.0009681200000000, 0.0003561300000000, 0.0022716000000000 ] - [ -0.0005491400000000, 0.0005476400000000, 0.0027426900000000 ] - [ -0.0025519500000000, 0.0014576700000000, 0.0032472100000000 ] - [ 0.0004066000000000, -0.0007848900000000, 0.0020931900000000 ] - [ 0.0062884500000000, -0.0010827600000000, 0.0051383400000000 ] - [ -0.0000177500000000, -0.0008565500000000, 0.0005186100000000 ] - [ -0.0009850200000000, -0.0002264700000000, 0.0020621100000000 ] - [ -0.0040731300000000, -0.0005582700000000, -0.0041252600000000 ] - [ 0.1380779200000000, 0.0089162300000000, -0.0786567900000000 ] - [ -0.0001267100000000, -0.0001908400000000, 0.0028908900000000 ] - [ 0.0000201900000000, 0.0002285100000000, 0.0015728700000000 ] - [ 0.0000397600000000, -0.0015818400000000, 0.0018158200000000 ] - [ 0.0016015100000000, 0.0005770600000000, 0.0006930300000000 ] - [ 0.0000349500000000, 0.0001326300000000, -0.0006705600000000 ] - [ 0.0000537400000000, -0.0002709000000000, -0.0009528100000000 ] - [ -0.0007561800000000, -0.0000415900000000, -0.0017525800000000 ] - [ 0.0002878000000000, 0.0001806500000000, -0.0009299000000000 ] - [ 0.0038481900000000, 0.0087616900000000, 0.0031707700000000 ] - [ 0.0006462100000000, 0.0004940100000000, -0.0014693200000000 ] - [ 0.0027882700000000, 0.0003449600000000, -0.0034093100000000 ] - [ 0.0007315700000000, 0.0004647600000000, -0.0013104300000000 ] - [ -0.0018305900000000, 0.0002359600000000, 0.0007816800000000 ] - [ -0.1594024800000000, -0.0340354900000000, 0.1384292400000000 ] - [ -0.0000655500000000, -0.0002063200000000, 0.0093543500000000 ] - [ -0.0011290600000000, 0.0001833300000000, -0.0010136500000000 ] - [ -0.0003047500000000, 0.0001789800000000, -0.0005366600000000 ] - [ 0.0002985800000000, -0.0003106000000000, -0.0011448800000000 ] - [ 0.0000496000000000, 0.0003061200000000, -0.0009332300000000 ] - [ -0.0003123400000000, 0.0001572300000000, 0.0004003800000000 ] - [ 0.0001024100000000, 0.0002241500000000, -0.0007134300000000 ] - [ 0.0004444900000000, -0.0008117600000000, -0.0012468500000000 ] - [ 0.0038815700000000, 0.0004505500000000, 0.0031952000000000 ] - [ 0.0007166900000000, 0.0006767200000000, 0.0030222800000000 ] - [ -0.0015853400000000, -0.0000690400000000, 0.0031308200000000 ] - [ 0.0001546600000000, -0.0002119000000000, -0.0005578000000000 ] - [ 0.0007417800000000, 0.0003867000000000, 0.0020266800000000 ] - [ -0.0030907600000000, -0.0023359800000000, -0.0014679500000000 ] - [ 0.0009738500000000, 0.0002223200000000, -0.0009276600000000 ] - [ -0.0013877500000000, -0.0001267100000000, 0.0009509800000000 ] - [ -0.0000388800000000, -0.0002509000000000, -0.0015374900000000 ] - [ 0.0005655000000000, 0.0001488100000000, -0.0005765700000000 ] - [ 0.0002921200000000, -0.0001340100000000, -0.0006709800000000 ] - [ 0.0150613200000000, 0.0083446200000000, -0.0081673200000000 ] - [ 0.0072759200000000, -0.0009509900000000, 0.0011281900000000 ] - [ -0.0003414000000000, -0.0002282600000000, -0.0017073200000000 ] - [ -0.0001078700000000, -0.0002177200000000, -0.0006555300000000 ] - [ 0.0011478700000000, -0.0009400800000000, -0.0009606600000000 ] - [ -0.0002890500000000, 0.0009069700000000, -0.0000706700000000 ] - [ -0.0045493400000000, 0.0039385500000000, -0.0015302700000000 ] - [ 0.0012319100000000, -0.0000072500000000, -0.0011212200000000 ] - [ 0.0003258600000000, -0.0006292600000000, -0.0011145400000000 ] - [ -0.0002348000000000, -0.0002076100000000, -0.0011699100000000 ] - [ -0.0016744700000000, -0.0012479300000000, -0.0028663700000000 ] - [ 0.0002151900000000, -0.0012499900000000, -0.0020269000000000 ] - [ -0.0000512400000000, -0.0006707300000000, -0.0009007600000000 ] - [ -0.0003510300000000, -0.0003119300000000, -0.0000436600000000 ] - [ -0.0030687300000000, 0.0022984700000000, -0.0019180300000000 ] - [ -0.0005019200000000, 0.0004525500000000, -0.0005907600000000 ] - [ -0.0006043000000000, -0.0001456400000000, -0.0019278400000000 ] - [ -0.0001031200000000, 0.0001739100000000, 0.0001225700000000 ] - [ 0.0003462500000000, 0.0004185200000000, -0.0010902600000000 ] - [ 0.0003836200000000, 0.0002395500000000, 0.0004040100000000 ] - [ -0.0001853100000000, -0.0006520700000000, -0.0012404000000000 ] - [ -0.0002384500000000, 0.0001994700000000, -0.0008294900000000 ] - [ 0.0002042400000000, -0.0008671400000000, -0.0004113200000000 ] - [ 0.0002519400000000, -0.0001105700000000, -0.0003285000000000 ] - [ -0.0060903100000000, -0.0021328500000000, -0.0136763700000000 ] - [ 0.0156127200000000, -0.0091081900000000, -0.0061543600000000 ] - [ 0.0015230600000000, -0.0002909600000000, 0.0013358500000000 ] - [ -0.0003786000000000, -0.0003434700000000, -0.0009245000000000 ] - [ 0.0004389300000000, 0.0021028700000000, -0.0017831200000000 ] - [ 0.0001571200000000, 0.0006751000000000, -0.0013473700000000 ] - [ -0.0001081500000000, 0.0002023100000000, -0.0008385600000000 ] - [ 0.0021911400000000, 0.0001078600000000, 0.0028333300000000 ] - [ 0.0013927400000000, -0.0012260600000000, 0.0009505200000000 ] - [ 0.0002331200000000, -0.0003711900000000, -0.0006195300000000 ] - [ -0.0003703000000000, 0.0001619000000000, -0.0010453300000000 ] - [ 0.0000172800000000, 0.0008944600000000, -0.0012373900000000 ] - [ -0.0008405800000000, 0.0007147200000000, -0.0023124800000000 ] - [ 0.0011732400000000, 0.0002332500000000, 0.0011164200000000 ] - [ -0.0005486700000000, 0.0003169100000000, -0.0006751400000000 ] - [ 0.0006717600000000, -0.0002660400000000, -0.0007648400000000 ] - [ 0.0006224500000000, -0.0004676700000000, -0.0009652600000000 ]- atom: 62 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ -0.0015611400000000, -0.0006252200000000, -0.0005306100000000 ] - [ -0.0039853900000000, -0.0014568100000000, 0.0072594500000000 ] - [ 0.0003371600000000, 0.0012738600000000, 0.0034669600000000 ] - [ -0.0001229500000000, -0.0016352500000000, -0.0032007300000000 ] - [ 0.0001255300000000, 0.0002919000000000, 0.0002694100000000 ] - [ 0.0003857400000000, -0.0024021100000000, -0.0018422400000000 ] - [ 0.0007689200000000, 0.0000648900000000, -0.0006325600000000 ] - [ 0.0010481800000000, 0.0013521200000000, 0.0016209500000000 ] - [ -0.0000887400000000, 0.0008375300000000, 0.0000092000000000 ] - [ -0.0001471200000000, -0.0001825500000000, -0.0001171700000000 ] - [ -0.0003293000000000, 0.0006179800000000, 0.0003187200000000 ] - [ 0.0004681200000000, 0.0004798600000000, 0.0001903000000000 ] - [ 0.0001633600000000, 0.0004172600000000, -0.0002924400000000 ] - [ -0.0035991400000000, -0.0028846100000000, -0.0008261700000000 ] - [ 0.0002453900000000, 0.0020208900000000, -0.0010597200000000 ] - [ -0.0011227900000000, -0.0003657700000000, 0.0003196400000000 ] - [ 0.0000804800000000, 0.0003158100000000, 0.0000454300000000 ] - [ -0.0000373800000000, 0.0002944100000000, 0.0002824400000000 ] - [ 0.0001927700000000, 0.0001911000000000, -0.0000708600000000 ] - [ -0.0000214500000000, -0.0002204200000000, 0.0000573600000000 ] - [ 0.0002453200000000, -0.0006401100000000, -0.0004878500000000 ] - [ 0.0046484400000000, -0.0032016600000000, -0.0009752500000000 ] - [ -0.0013556900000000, -0.0002173400000000, -0.0007540500000000 ] - [ 0.0006517500000000, -0.0024789300000000, 0.0028662200000000 ] - [ -0.0003606300000000, 0.0005485900000000, 0.0001943000000000 ] - [ -0.0001346700000000, 0.0005964200000000, -0.0004987000000000 ] - [ 0.0134034800000000, -0.0026174900000000, 0.0095943800000000 ] - [ -0.0043482000000000, 0.0006697200000000, 0.0014868900000000 ] - [ 0.0001741700000000, 0.0005086300000000, -0.0002489400000000 ] - [ 0.0000252700000000, 0.0003025000000000, -0.0004964000000000 ] - [ -0.0004267900000000, 0.0003801300000000, -0.0005559900000000 ] - [ 0.0000651700000000, 0.0008146900000000, -0.0001495600000000 ] - [ -0.0019728200000000, -0.0025332400000000, -0.0003336000000000 ] - [ -0.0010587200000000, 0.0002865100000000, 0.0000034800000000 ] - [ 0.0000817400000000, 0.0002603400000000, -0.0002195100000000 ] - [ -0.0003143600000000, 0.0001000300000000, -0.0003171800000000 ] - [ -0.0039500700000000, 0.0012426600000000, -0.0003181800000000 ] - [ 0.0026792700000000, 0.0002208400000000, 0.0011182000000000 ] - [ -0.0003429000000000, 0.0003965300000000, -0.0004327000000000 ] - [ -0.0077484100000000, -0.0003707400000000, -0.0043584000000000 ] - [ 0.0007128200000000, -0.0009473200000000, 0.0007284100000000 ] - [ 0.0328743200000000, 0.0276185400000000, -0.0040519000000000 ] - [ -0.0008025200000000, -0.0009203200000000, -0.0008730400000000 ] - [ -0.0012318500000000, -0.0009790400000000, 0.0002356300000000 ] - [ 0.0002974000000000, -0.0001692400000000, 0.0006567800000000 ] - [ 0.0014654700000000, -0.0000984000000000, -0.0003217500000000 ] - [ 0.0004871300000000, 0.0004005400000000, 0.0002437800000000 ] - [ -0.0012953900000000, -0.0000968200000000, 0.0000140600000000 ] - [ -0.0002346800000000, -0.0006181600000000, 0.0005578100000000 ] - [ 0.0006533000000000, 0.0000112600000000, -0.0003010800000000 ] - [ 0.0006422000000000, 0.0001284000000000, 0.0004635700000000 ] - [ 0.0001467500000000, -0.0002573800000000, 0.0000189400000000 ] - [ -0.0007776500000000, 0.0000836800000000, -0.0002106200000000 ] - [ 0.0001899800000000, 0.0002445900000000, -0.0000925400000000 ] - [ 0.0001804900000000, 0.0001218500000000, 0.0003215400000000 ] - [ 0.0001851600000000, 0.0006542500000000, 0.0004860400000000 ] - [ 0.0019548900000000, -0.0002025900000000, 0.0009231400000000 ] - [ -0.0022584700000000, 0.0019510800000000, -0.0025056200000000 ] - [ 0.0049211500000000, 0.0134649800000000, -0.0090717200000000 ] - [ -0.0010255000000000, -0.0003095800000000, 0.0006979800000000 ] - [ -0.0006373800000000, -0.0002483100000000, -0.0006791700000000 ] - [ -0.0573617100000000, -0.0188639000000000, -0.0051202500000000 ] - [ -0.0003020400000000, 0.0000007200000000, -0.0001363700000000 ] - [ -0.0002657100000000, 0.0005205200000000, 0.0000711600000000 ] - [ -0.0013510300000000, 0.0003942200000000, 0.0004178100000000 ] - [ 0.0003891200000000, -0.0001784200000000, 0.0009197400000000 ] - [ 0.0001993100000000, 0.0002631000000000, 0.0001985600000000 ] - [ 0.0100983800000000, -0.0078506200000000, 0.0007751900000000 ] - [ -0.0001819600000000, 0.0001776700000000, -0.0006902300000000 ] - [ -0.0001988200000000, 0.0000970500000000, -0.0002370100000000 ] - [ 0.0002073700000000, 0.0002457700000000, 0.0001290500000000 ] - [ 0.0003731700000000, 0.0000323100000000, 0.0001786000000000 ] - [ 0.0001754100000000, 0.0003270300000000, 0.0001140200000000 ] - [ -0.0000723400000000, 0.0002457100000000, -0.0000334700000000 ] - [ 0.0039940300000000, 0.0008648700000000, -0.0007931400000000 ] - [ -0.0016720600000000, -0.0004785900000000, -0.0002844000000000 ] - [ -0.0001278000000000, 0.0002328900000000, -0.0003818200000000 ] - [ 0.0012573400000000, 0.0021643400000000, 0.0002863900000000 ] - [ 0.0009442300000000, -0.0003248600000000, -0.0003395400000000 ] - [ 0.0000070200000000, 0.0002827500000000, -0.0001245800000000 ] - [ 0.0002500000000000, -0.0003120800000000, -0.0000795500000000 ] - [ -0.0003393400000000, -0.0001873500000000, -0.0007660300000000 ] - [ 0.0098436700000000, 0.0032081800000000, 0.0047832800000000 ] - [ 0.0014541200000000, -0.0008657000000000, 0.0005249400000000 ] - [ -0.0002193500000000, 0.0008851600000000, 0.0004982700000000 ] - [ -0.0025853900000000, -0.0003106500000000, -0.0000423000000000 ] - [ 0.0002173300000000, -0.0003179000000000, -0.0000050100000000 ] - [ 0.0020266000000000, -0.0002599400000000, -0.0002701200000000 ] - [ -0.0002702800000000, 0.0002836100000000, 0.0003543600000000 ] - [ -0.0050443400000000, 0.0004291000000000, -0.0001375900000000 ] - [ 0.0000033500000000, 0.0002809600000000, 0.0001308500000000 ] - [ -0.0004036400000000, -0.0003231900000000, -0.0001635500000000 ] - [ -0.0000715600000000, -0.0002484800000000, 0.0000681800000000 ] - [ -0.0000896500000000, 0.0002295000000000, 0.0002074200000000 ] - [ 0.0019804400000000, -0.0065057600000000, -0.0004723400000000 ] - [ -0.0009002100000000, -0.0005886400000000, -0.0022057800000000 ] - [ 0.0013248400000000, -0.0004855000000000, -0.0006026600000000 ] - [ 0.0001871200000000, -0.0000444800000000, 0.0002329500000000 ] - [ 0.0019609900000000, 0.0000152000000000, 0.0011321500000000 ] - [ -0.0003101300000000, -0.0002940700000000, 0.0001038300000000 ] - [ -0.0001165900000000, 0.0004956700000000, 0.0000848200000000 ] - [ 0.0013687700000000, 0.0000199200000000, -0.0006366900000000 ] - [ 0.0032089200000000, 0.0014233300000000, 0.0003975200000000 ] - [ -0.0020313900000000, -0.0092651700000000, 0.0042558100000000 ] - [ -0.0005131600000000, -0.0000538200000000, -0.0000179200000000 ] - [ 0.0006247900000000, 0.0002471600000000, -0.0003518400000000 ] - [ 0.0001546200000000, 0.0009596600000000, 0.0002888200000000 ] - [ 0.0000637900000000, 0.0002104700000000, 0.0004731300000000 ] - [ -0.0000896200000000, 0.0002640400000000, -0.0000131400000000 ] - [ 0.0004655700000000, -0.0000220100000000, -0.0005215200000000 ] - [ 0.0005074200000000, -0.0001914900000000, 0.0005293300000000 ] - [ 0.0001564600000000, -0.0003133500000000, -0.0000594900000000 ] - [ 0.0010663200000000, -0.0004359700000000, 0.0001208900000000 ] - [ 0.0004239700000000, 0.0005210800000000, 0.0004958700000000 ] - [ 0.0002616800000000, 0.0008690600000000, -0.0004370000000000 ] - [ -0.0002538500000000, 0.0006408700000000, -0.0004478500000000 ] - [ 0.0002159100000000, 0.0000707900000000, -0.0003438800000000 ] - [ -0.0008551300000000, -0.0000417500000000, 0.0001319800000000 ] - [ 0.0001779600000000, -0.0002484500000000, -0.0000501900000000 ] - [ 0.0008278300000000, -0.0003755400000000, 0.0002355600000000 ]- atom: 62 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ 0.0014147100000000, 0.0001249200000000, 0.0004587400000000 ] - [ 0.0042057700000000, 0.0007362000000000, -0.0067510800000000 ] - [ 0.0001808200000000, -0.0022303600000000, -0.0040643700000000 ] - [ -0.0005858500000000, 0.0008020900000000, 0.0025978200000000 ] - [ 0.0000988000000000, 0.0004215300000000, 0.0002337500000000 ] - [ -0.0006819700000000, 0.0012195500000000, 0.0028479600000000 ] - [ -0.0013154900000000, -0.0010377700000000, 0.0011978800000000 ] - [ -0.0008774700000000, -0.0018434300000000, -0.0015369700000000 ] - [ -0.0001323500000000, 0.0008008100000000, 0.0001509700000000 ] - [ 0.0000041500000000, -0.0001197000000000, -0.0001930400000000 ] - [ 0.0000411800000000, 0.0005722700000000, 0.0006846200000000 ] - [ 0.0002584800000000, 0.0003634200000000, 0.0004055000000000 ] - [ -0.0003794800000000, 0.0002955900000000, -0.0001935300000000 ] - [ 0.0033738200000000, 0.0012613800000000, 0.0009830900000000 ] - [ 0.0000065300000000, -0.0026736700000000, 0.0004282700000000 ] - [ 0.0018444000000000, -0.0004801900000000, 0.0002762500000000 ] - [ 0.0000632200000000, 0.0001822200000000, 0.0000209900000000 ] - [ -0.0002017900000000, 0.0003365700000000, 0.0003516900000000 ] - [ -0.0003445000000000, 0.0003076000000000, -0.0000096400000000 ] - [ 0.0001622800000000, -0.0000827200000000, 0.0002500200000000 ] - [ 0.0000428800000000, -0.0005434500000000, -0.0005090300000000 ] - [ -0.0044082200000000, 0.0015157200000000, 0.0007520600000000 ] - [ 0.0011309600000000, -0.0004967000000000, 0.0002484200000000 ] - [ -0.0007980600000000, 0.0027880000000000, -0.0031780400000000 ] - [ -0.0001693000000000, 0.0004096300000000, 0.0003914000000000 ] - [ 0.0004246500000000, 0.0005955900000000, -0.0005035100000000 ] - [ -0.0134869800000000, 0.0032119700000000, -0.0098589200000000 ] - [ 0.0041101200000000, -0.0013055500000000, -0.0008545500000000 ] - [ 0.0003608400000000, 0.0004490800000000, -0.0003288600000000 ] - [ 0.0002137600000000, 0.0003286400000000, -0.0001354600000000 ] - [ -0.0002999900000000, 0.0004655500000000, -0.0000362800000000 ] - [ 0.0001555500000000, 0.0008267700000000, -0.0000095500000000 ] - [ 0.0028062800000000, 0.0017094100000000, 0.0009673800000000 ] - [ -0.0008794200000000, 0.0003600300000000, -0.0001612600000000 ] - [ -0.0002632400000000, 0.0000516400000000, 0.0012180400000000 ] - [ 0.0001216000000000, -0.0004162600000000, 0.0013092800000000 ] - [ 0.0022912300000000, 0.0006017700000000, -0.0013129900000000 ] - [ -0.0007394300000000, 0.0004265600000000, -0.0009609600000000 ] - [ -0.0004842800000000, 0.0004091900000000, -0.0002090300000000 ] - [ 0.0069088600000000, -0.0004250300000000, 0.0036828000000000 ] - [ 0.0009344500000000, -0.0009138100000000, 0.0009085900000000 ] - [ -0.0307996100000000, -0.0248496100000000, 0.0052744300000000 ] - [ -0.0008442800000000, -0.0009410800000000, -0.0007596400000000 ] - [ -0.0007054200000000, 0.0003265900000000, -0.0003995500000000 ] - [ 0.0016366600000000, -0.0004760200000000, -0.0005019300000000 ] - [ -0.0012823300000000, -0.0002179800000000, -0.0006726300000000 ] - [ 0.0003388000000000, 0.0004060900000000, 0.0004009400000000 ] - [ 0.0014830300000000, 0.0004157100000000, -0.0010052000000000 ] - [ -0.0003046600000000, 0.0001429000000000, -0.0005523300000000 ] - [ 0.0005490400000000, -0.0001137100000000, -0.0002893100000000 ] - [ 0.0000782500000000, 0.0000399100000000, 0.0006302400000000 ] - [ 0.0000527700000000, -0.0002486300000000, -0.0000060100000000 ] - [ 0.0000614500000000, -0.0002660200000000, -0.0008732000000000 ] - [ -0.0000276200000000, 0.0002186100000000, -0.0001669800000000 ] - [ 0.0002933100000000, -0.0002786800000000, -0.0005118700000000 ] - [ 0.0001890100000000, 0.0006545700000000, 0.0004319700000000 ] - [ -0.0020056300000000, -0.0003794500000000, -0.0011325000000000 ] - [ 0.0034312100000000, -0.0018441900000000, 0.0019049200000000 ] - [ -0.0047800200000000, -0.0131266500000000, 0.0092222200000000 ] - [ 0.0000245000000000, -0.0003209500000000, -0.0007257100000000 ] - [ 0.0013619300000000, 0.0000802800000000, 0.0017752800000000 ] - [ 0.0566657100000000, 0.0162376100000000, 0.0070276800000000 ] - [ -0.0003922500000000, 0.0000523700000000, -0.0002185000000000 ] - [ 0.0004571700000000, 0.0000193400000000, -0.0001944900000000 ] - [ 0.0008438500000000, 0.0001614700000000, -0.0005697400000000 ] - [ 0.0004235400000000, -0.0001899900000000, 0.0008226300000000 ] - [ -0.0000672200000000, 0.0002327100000000, 0.0000753900000000 ] - [ -0.0096002900000000, 0.0064141600000000, 0.0001307000000000 ] - [ -0.0002635000000000, 0.0002061400000000, -0.0003809700000000 ] - [ -0.0005242100000000, 0.0000721000000000, -0.0008598300000000 ] - [ 0.0007915500000000, 0.0003840100000000, -0.0001084600000000 ] - [ 0.0003212300000000, 0.0000203400000000, 0.0001747500000000 ] - [ 0.0003355300000000, 0.0002285200000000, 0.0000348800000000 ] - [ -0.0000610400000000, 0.0002508500000000, -0.0002434500000000 ] - [ -0.0044381200000000, -0.0002657000000000, 0.0009157300000000 ] - [ 0.0018391600000000, 0.0000189200000000, 0.0000250000000000 ] - [ -0.0000274300000000, 0.0001780000000000, -0.0005253500000000 ] - [ -0.0008019300000000, -0.0015480500000000, -0.0004002700000000 ] - [ -0.0008877300000000, -0.0002526600000000, 0.0005615500000000 ] - [ 0.0005290700000000, 0.0001917600000000, 0.0001199500000000 ] - [ -0.0007598200000000, -0.0002446500000000, -0.0000710800000000 ] - [ -0.0004752700000000, -0.0001802500000000, -0.0009804200000000 ] - [ -0.0101054200000000, -0.0037091500000000, -0.0045877900000000 ] - [ -0.0016189500000000, 0.0004428800000000, -0.0014148600000000 ] - [ -0.0002890700000000, 0.0008546500000000, 0.0004190000000000 ] - [ 0.0027252700000000, -0.0001973700000000, 0.0002843900000000 ] - [ 0.0002409700000000, -0.0002793800000000, -0.0001165700000000 ] - [ -0.0014934600000000, -0.0002152600000000, 0.0002615200000000 ] - [ -0.0002655600000000, 0.0001920300000000, -0.0003492700000000 ] - [ 0.0043610700000000, -0.0004563900000000, -0.0002010700000000 ] - [ 0.0000534200000000, 0.0002961800000000, 0.0000901500000000 ] - [ 0.0002060000000000, -0.0002086500000000, 0.0002944600000000 ] - [ -0.0001265900000000, -0.0002575600000000, -0.0000838700000000 ] - [ -0.0000721200000000, 0.0002336300000000, 0.0000502100000000 ] - [ -0.0021784800000000, 0.0070787400000000, 0.0004516700000000 ] - [ 0.0004485900000000, 0.0001992500000000, 0.0011276600000000 ] - [ -0.0006351400000000, 0.0004400900000000, 0.0009630700000000 ] - [ 0.0002904800000000, 0.0002006400000000, -0.0004232000000000 ] - [ -0.0011450100000000, 0.0003554700000000, 0.0006105800000000 ] - [ -0.0001462400000000, -0.0003040300000000, 0.0000154700000000 ] - [ 0.0005615800000000, -0.0001077200000000, 0.0009840300000000 ] - [ -0.0008586300000000, -0.0017552300000000, -0.0002796200000000 ] - [ -0.0030197100000000, -0.0018108200000000, 0.0005110100000000 ] - [ 0.0011875100000000, 0.0096097400000000, -0.0059475500000000 ] - [ 0.0000373800000000, 0.0002121600000000, 0.0002086000000000 ] - [ -0.0008197500000000, 0.0002816000000000, 0.0004861600000000 ] - [ -0.0002748600000000, -0.0014640400000000, -0.0005621100000000 ] - [ 0.0000906000000000, 0.0002018200000000, 0.0004313700000000 ] - [ 0.0000331200000000, 0.0003131200000000, -0.0002106800000000 ] - [ -0.0009413800000000, -0.0001383100000000, 0.0007110000000000 ] - [ -0.0000597500000000, -0.0001913700000000, 0.0005445600000000 ] - [ 0.0000418000000000, -0.0002176300000000, -0.0000719600000000 ] - [ -0.0014399100000000, -0.0008687900000000, -0.0010366200000000 ] - [ -0.0014253400000000, 0.0001074300000000, -0.0005231200000000 ] - [ 0.0002471800000000, 0.0008721500000000, -0.0004823000000000 ] - [ -0.0001203000000000, 0.0006676600000000, -0.0004725200000000 ] - [ -0.0014157600000000, 0.0000292100000000, 0.0009337800000000 ] - [ -0.0003452600000000, -0.0000599400000000, 0.0004574100000000 ] - [ 0.0003298500000000, -0.0003051500000000, 0.0002025800000000 ] - [ 0.0001759300000000, -0.0002554200000000, -0.0002127900000000 ]- atom: 62 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003388800000000, 0.0006440200000000, -0.0003349600000000 ] - [ -0.0029182400000000, 0.0045254000000000, 0.0013689000000000 ] - [ 0.0017502500000000, 0.0046528100000000, 0.0014595300000000 ] - [ -0.0011859700000000, 0.0044017400000000, 0.0012237300000000 ] - [ 0.0000481100000000, 0.0002178900000000, 0.0005124100000000 ] - [ -0.0007111300000000, 0.0003943800000000, -0.0000597900000000 ] - [ -0.0042827800000000, -0.0088655700000000, -0.0021740600000000 ] - [ 0.0031319200000000, -0.0020863300000000, -0.0025502800000000 ] - [ -0.0001172800000000, 0.0008550500000000, 0.0002623400000000 ] - [ -0.0001077000000000, -0.0000258700000000, -0.0000245300000000 ] - [ 0.0000084500000000, 0.0006580800000000, 0.0009085600000000 ] - [ 0.0003528900000000, 0.0006031100000000, 0.0002993900000000 ] - [ -0.0000638600000000, 0.0006168400000000, 0.0001729900000000 ] - [ -0.0033873400000000, -0.0015438700000000, -0.0026801000000000 ] - [ 0.0019601000000000, -0.0071231700000000, -0.0003909600000000 ] - [ 0.0000562600000000, -0.0016346200000000, 0.0004421000000000 ] - [ 0.0000899000000000, 0.0003696800000000, 0.0002464500000000 ] - [ -0.0000868500000000, 0.0001891600000000, 0.0005597100000000 ] - [ -0.0000590000000000, -0.0001212800000000, 0.0002498100000000 ] - [ 0.0001111200000000, -0.0002215200000000, 0.0002952900000000 ] - [ 0.0004123300000000, -0.0028930200000000, -0.0012643400000000 ] - [ 0.0017788000000000, -0.0069145800000000, -0.0063051300000000 ] - [ 0.0001059800000000, -0.0014361500000000, -0.0003164700000000 ] - [ -0.0009669900000000, -0.0035506000000000, 0.0022623900000000 ] - [ -0.0002294900000000, 0.0005211100000000, 0.0004124400000000 ] - [ -0.0001736900000000, 0.0005612500000000, -0.0001233900000000 ] - [ -0.0009282300000000, 0.0038388400000000, 0.0013284800000000 ] - [ -0.0000697100000000, 0.0010594500000000, 0.0000929300000000 ] - [ 0.0003082300000000, 0.0003722800000000, -0.0002533600000000 ] - [ 0.0001614200000000, 0.0004170700000000, -0.0001125000000000 ] - [ -0.0003216600000000, 0.0002649100000000, -0.0002379200000000 ] - [ 0.0001122400000000, 0.0007916300000000, 0.0000821700000000 ] - [ -0.0038621000000000, -0.0019592700000000, 0.0010256200000000 ] - [ -0.0007043600000000, 0.0002723100000000, -0.0000922100000000 ] - [ -0.0005832700000000, -0.0004067500000000, 0.0007338900000000 ] - [ 0.0006990000000000, -0.0005324800000000, 0.0013926100000000 ] - [ 0.0075469700000000, -0.0007964300000000, -0.0054450300000000 ] - [ 0.0006602600000000, 0.0011124800000000, -0.0009256100000000 ] - [ -0.0004282200000000, 0.0004369300000000, -0.0000358200000000 ] - [ 0.0034151400000000, 0.0013640000000000, 0.0022305700000000 ] - [ 0.0008323800000000, -0.0009519700000000, 0.0010573100000000 ] - [ 0.0245379700000000, 0.1995321900000000, -0.0553674500000000 ] - [ -0.0008630800000000, -0.0008911000000000, -0.0005331800000000 ] - [ -0.0014541800000000, -0.0075437100000000, 0.0011568800000000 ] - [ 0.0007323700000000, 0.0001048200000000, 0.0007941400000000 ] - [ -0.0001102600000000, 0.0006448200000000, 0.0006812000000000 ] - [ 0.0004500200000000, 0.0003482700000000, 0.0006475900000000 ] - [ 0.0003571500000000, 0.0006664900000000, -0.0007771500000000 ] - [ -0.0002583900000000, 0.0004421000000000, -0.0002373400000000 ] - [ 0.0005452900000000, 0.0000835600000000, -0.0003111700000000 ] - [ 0.0003044800000000, -0.0000097800000000, 0.0006673100000000 ] - [ 0.0001047700000000, -0.0002530900000000, -0.0000975700000000 ] - [ -0.0010539700000000, 0.0003382500000000, -0.0014366600000000 ] - [ 0.0000979200000000, 0.0001621800000000, -0.0002820500000000 ] - [ 0.0006435400000000, -0.0000968000000000, -0.0000297500000000 ] - [ 0.0001340500000000, 0.0006362300000000, 0.0002451600000000 ] - [ -0.0009514100000000, -0.0019167900000000, -0.0004913300000000 ] - [ 0.0050638000000000, 0.0051883400000000, -0.0113539400000000 ] - [ 0.0106802000000000, 0.0053901700000000, -0.0081646200000000 ] - [ -0.0003614900000000, -0.0008268800000000, -0.0010943100000000 ] - [ 0.0000723600000000, -0.0009444500000000, -0.0010310400000000 ] - [ -0.0169245100000000, -0.2511215500000000, 0.0740507300000000 ] - [ -0.0003484600000000, 0.0000625200000000, -0.0003142600000000 ] - [ -0.0010750700000000, 0.0040640900000000, 0.0025663000000000 ] - [ -0.0001921100000000, -0.0001101000000000, 0.0001676500000000 ] - [ 0.0003837900000000, -0.0001621000000000, 0.0007563400000000 ] - [ 0.0000849300000000, 0.0003591400000000, -0.0000071600000000 ] - [ -0.0065212100000000, 0.0002282200000000, 0.0007376300000000 ] - [ -0.0002418400000000, 0.0001261300000000, -0.0008630300000000 ] - [ -0.0003258800000000, 0.0001448300000000, -0.0006567300000000 ] - [ 0.0009892500000000, 0.0006280400000000, 0.0002222700000000 ] - [ 0.0003721700000000, 0.0000264800000000, 0.0000293800000000 ] - [ -0.0000556200000000, 0.0005353200000000, 0.0002236900000000 ] - [ -0.0000789600000000, 0.0001213300000000, -0.0003208400000000 ] - [ -0.0010824200000000, -0.0006656200000000, 0.0003628700000000 ] - [ 0.0007853800000000, 0.0034274500000000, 0.0000106400000000 ] - [ -0.0000632900000000, 0.0001022800000000, -0.0005841600000000 ] - [ 0.0052037200000000, 0.0064887700000000, 0.0010130200000000 ] - [ 0.0003068200000000, 0.0011707000000000, -0.0007089900000000 ] - [ 0.0002817000000000, 0.0004934400000000, -0.0004936300000000 ] - [ -0.0001892700000000, -0.0003600900000000, -0.0002732200000000 ] - [ -0.0004441600000000, -0.0002056900000000, -0.0009751400000000 ] - [ -0.0021891500000000, -0.0040076600000000, -0.0001763000000000 ] - [ -0.0016890600000000, 0.0008057700000000, -0.0005747700000000 ] - [ -0.0002711300000000, 0.0008816800000000, 0.0003401600000000 ] - [ -0.0012930300000000, -0.0026546700000000, 0.0103242100000000 ] - [ 0.0002914700000000, -0.0002605900000000, -0.0001985200000000 ] - [ 0.0001900500000000, -0.0007211200000000, 0.0000339900000000 ] - [ -0.0004293100000000, 0.0000859000000000, -0.0003624900000000 ] - [ 0.0021186600000000, 0.0201369000000000, 0.0057110700000000 ] - [ 0.0000466900000000, 0.0002019600000000, -0.0000527300000000 ] - [ 0.0000102400000000, -0.0001252100000000, 0.0002663700000000 ] - [ -0.0000842100000000, -0.0002652100000000, -0.0001567900000000 ] - [ -0.0001113100000000, 0.0003016400000000, -0.0000722700000000 ] - [ -0.0139239400000000, 0.0185702800000000, -0.0009521700000000 ] - [ -0.0003006600000000, -0.0011886300000000, 0.0007955700000000 ] - [ -0.0011562900000000, -0.0006150400000000, 0.0013379300000000 ] - [ 0.0000912300000000, 0.0004618800000000, -0.0002972400000000 ] - [ -0.0012861300000000, 0.0004006200000000, 0.0005792000000000 ] - [ -0.0001828600000000, -0.0003281500000000, -0.0000748800000000 ] - [ -0.0001343100000000, 0.0014817200000000, -0.0005225000000000 ] - [ -0.0006363400000000, 0.0032449100000000, 0.0013888100000000 ] - [ 0.0023213000000000, -0.0002911900000000, 0.0004934200000000 ] - [ -0.0064587000000000, 0.0075138600000000, -0.0109379300000000 ] - [ -0.0002063100000000, -0.0006150100000000, -0.0000340800000000 ] - [ 0.0000158200000000, -0.0002851300000000, -0.0001478900000000 ] - [ 0.0019200200000000, 0.0004267500000000, 0.0006401500000000 ] - [ 0.0000956300000000, 0.0003326800000000, 0.0002924100000000 ] - [ 0.0000099800000000, 0.0003684800000000, -0.0002483600000000 ] - [ -0.0003754900000000, 0.0000176300000000, 0.0004555600000000 ] - [ 0.0001714700000000, -0.0000426800000000, 0.0006671400000000 ] - [ 0.0000915400000000, -0.0003314500000000, -0.0000986400000000 ] - [ 0.0006104100000000, -0.0003862100000000, 0.0003747200000000 ] - [ -0.0005488700000000, 0.0001746700000000, 0.0000212900000000 ] - [ 0.0002561400000000, 0.0008567700000000, -0.0005851400000000 ] - [ -0.0002770800000000, 0.0006291600000000, -0.0007539700000000 ] - [ -0.0002010700000000, 0.0001930100000000, -0.0002562600000000 ] - [ -0.0005439200000000, -0.0005164200000000, 0.0002553600000000 ] - [ 0.0014533500000000, 0.0011724800000000, -0.0006223000000000 ] - [ 0.0003763600000000, -0.0001098100000000, -0.0000733000000000 ]- atom: 62 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004812800000000, -0.0011391900000000, 0.0002677600000000 ] - [ 0.0032082000000000, -0.0052296600000000, -0.0009182500000000 ] - [ -0.0012433600000000, -0.0056438700000000, -0.0020508400000000 ] - [ 0.0004643300000000, -0.0052936000000000, -0.0018171400000000 ] - [ 0.0001777100000000, 0.0005002300000000, -0.0000103500000000 ] - [ 0.0004226900000000, -0.0016168600000000, 0.0010501900000000 ] - [ 0.0038139100000000, 0.0079641800000000, 0.0028329100000000 ] - [ -0.0030171200000000, 0.0015863700000000, 0.0026614900000000 ] - [ -0.0000984400000000, 0.0007853100000000, -0.0001039400000000 ] - [ -0.0000352400000000, -0.0002811000000000, -0.0002983700000000 ] - [ -0.0003062200000000, 0.0005282900000000, 0.0000888300000000 ] - [ 0.0003714600000000, 0.0002444700000000, 0.0002932400000000 ] - [ -0.0001526100000000, 0.0001022900000000, -0.0006655400000000 ] - [ 0.0031932700000000, -0.0001298600000000, 0.0028792200000000 ] - [ -0.0017296300000000, 0.0065501700000000, -0.0002511400000000 ] - [ 0.0006692700000000, 0.0007889100000000, 0.0001595500000000 ] - [ 0.0000537800000000, 0.0001255700000000, -0.0001822800000000 ] - [ -0.0001524200000000, 0.0004389000000000, 0.0000693900000000 ] - [ -0.0000921000000000, 0.0006157800000000, -0.0003338100000000 ] - [ 0.0000276700000000, -0.0000866800000000, 0.0000171200000000 ] - [ -0.0001177100000000, 0.0017200000000000, 0.0002690400000000 ] - [ -0.0015702300000000, 0.0057957200000000, 0.0064755400000000 ] - [ -0.0003322700000000, 0.0007226100000000, -0.0001908200000000 ] - [ 0.0008266900000000, 0.0038820800000000, -0.0025946000000000 ] - [ -0.0002979600000000, 0.0004400300000000, 0.0001786300000000 ] - [ 0.0004694100000000, 0.0006273500000000, -0.0008813500000000 ] - [ 0.0009364400000000, -0.0034301000000000, -0.0011693600000000 ] - [ -0.0001967700000000, -0.0016681900000000, 0.0005542000000000 ] - [ 0.0002242300000000, 0.0005878900000000, -0.0003363700000000 ] - [ 0.0000772000000000, 0.0002103200000000, -0.0005213600000000 ] - [ -0.0004028800000000, 0.0005834200000000, -0.0003595600000000 ] - [ 0.0001030600000000, 0.0008521900000000, -0.0002472300000000 ] - [ 0.0046586400000000, 0.0011828200000000, -0.0003657800000000 ] - [ -0.0012226400000000, 0.0003808900000000, -0.0000517400000000 ] - [ 0.0004038700000000, 0.0007231300000000, 0.0002552600000000 ] - [ -0.0008876400000000, 0.0002249400000000, -0.0004021700000000 ] - [ -0.0091621500000000, 0.0026892300000000, 0.0037956600000000 ] - [ 0.0012652400000000, -0.0004626100000000, 0.0010565600000000 ] - [ -0.0004009400000000, 0.0003634400000000, -0.0006118400000000 ] - [ -0.0042613300000000, -0.0021788400000000, -0.0028562800000000 ] - [ 0.0008087600000000, -0.0009123400000000, 0.0005783400000000 ] - [ -0.0245162700000000, -0.2095865900000000, 0.0618213000000000 ] - [ -0.0007770100000000, -0.0009732600000000, -0.0011106000000000 ] - [ -0.0004665100000000, 0.0069403200000000, -0.0013088500000000 ] - [ 0.0011915200000000, -0.0007577400000000, -0.0006581900000000 ] - [ 0.0003055700000000, -0.0009590100000000, -0.0016887400000000 ] - [ 0.0003749400000000, 0.0004522300000000, -0.0000100000000000 ] - [ -0.0001771000000000, -0.0003685700000000, -0.0002208900000000 ] - [ -0.0002757500000000, -0.0009498900000000, 0.0002506400000000 ] - [ 0.0006527000000000, -0.0001787100000000, -0.0002781200000000 ] - [ 0.0004265800000000, 0.0001752900000000, 0.0004445100000000 ] - [ 0.0000962500000000, -0.0002529500000000, 0.0001222700000000 ] - [ 0.0003235800000000, -0.0005064500000000, 0.0003281600000000 ] - [ 0.0000607300000000, 0.0002987900000000, 0.0000363600000000 ] - [ -0.0001779100000000, -0.0000400300000000, -0.0001550700000000 ] - [ 0.0002366000000000, 0.0006671800000000, 0.0006618800000000 ] - [ 0.0008990800000000, 0.0013423800000000, 0.0002578500000000 ] - [ -0.0038693300000000, -0.0051695200000000, 0.0107547300000000 ] - [ -0.0107289100000000, -0.0049353100000000, 0.0083383800000000 ] - [ -0.0006613800000000, 0.0002129700000000, 0.0011011000000000 ] - [ 0.0006527900000000, 0.0007818100000000, 0.0021456000000000 ] - [ 0.0182666100000000, 0.2612092300000000, -0.0783528400000000 ] - [ -0.0003389500000000, 0.0000039100000000, -0.0000559600000000 ] - [ 0.0012870100000000, -0.0035626900000000, -0.0027372800000000 ] - [ -0.0002589400000000, 0.0006567000000000, -0.0003076400000000 ] - [ 0.0004210900000000, -0.0002066900000000, 0.0009780300000000 ] - [ 0.0000422400000000, 0.0001323200000000, 0.0002826700000000 ] - [ 0.0069469200000000, -0.0014954500000000, 0.0001378200000000 ] - [ -0.0002009800000000, 0.0002586700000000, -0.0001873700000000 ] - [ -0.0004090600000000, 0.0000178300000000, -0.0004575600000000 ] - [ 0.0000206500000000, -0.0000123400000000, -0.0002090300000000 ] - [ 0.0003152800000000, 0.0000400800000000, 0.0003445100000000 ] - [ 0.0005063200000000, 0.0000049700000000, -0.0000790700000000 ] - [ -0.0000480800000000, 0.0003713300000000, 0.0000510400000000 ] - [ 0.0005887500000000, 0.0012608500000000, -0.0002478500000000 ] - [ -0.0006240600000000, -0.0039208800000000, -0.0002657700000000 ] - [ -0.0000980400000000, 0.0003115700000000, -0.0003180300000000 ] - [ -0.0046446600000000, -0.0058470100000000, -0.0011237700000000 ] - [ -0.0002412000000000, -0.0017567600000000, 0.0009287900000000 ] - [ 0.0002552600000000, 0.0000118300000000, 0.0004894700000000 ] - [ -0.0002581800000000, -0.0001803900000000, 0.0001302800000000 ] - [ -0.0003638900000000, -0.0001627200000000, -0.0007607300000000 ] - [ 0.0021661400000000, 0.0036084400000000, 0.0004509400000000 ] - [ 0.0015443500000000, -0.0012163200000000, -0.0003361900000000 ] - [ -0.0002424800000000, 0.0008629600000000, 0.0005782300000000 ] - [ 0.0014241400000000, 0.0021200300000000, -0.0100634200000000 ] - [ 0.0002142800000000, -0.0003253700000000, 0.0000718600000000 ] - [ 0.0003545100000000, 0.0002208000000000, -0.0000369500000000 ] - [ -0.0001088600000000, 0.0004232600000000, 0.0003754600000000 ] - [ -0.0029101300000000, -0.0208328400000000, -0.0062863500000000 ] - [ 0.0000117400000000, 0.0003776200000000, 0.0002774500000000 ] - [ -0.0002082800000000, -0.0004066900000000, -0.0001295100000000 ] - [ -0.0001182000000000, -0.0002407300000000, 0.0001385900000000 ] - [ -0.0000472400000000, 0.0001593700000000, 0.0003243100000000 ] - [ 0.0135201100000000, -0.0178371900000000, 0.0008960900000000 ] - [ -0.0001371900000000, 0.0008191400000000, -0.0018333100000000 ] - [ 0.0018424100000000, 0.0005378800000000, -0.0009619000000000 ] - [ 0.0003760400000000, -0.0003281800000000, 0.0001138200000000 ] - [ 0.0020848200000000, -0.0000477700000000, 0.0011542300000000 ] - [ -0.0003124100000000, -0.0002618400000000, 0.0002031300000000 ] - [ 0.0005696300000000, -0.0011015200000000, 0.0015635600000000 ] - [ 0.0011388400000000, -0.0049863100000000, -0.0022973100000000 ] - [ -0.0021585200000000, -0.0001386000000000, 0.0004007700000000 ] - [ 0.0057979700000000, -0.0073529900000000, 0.0095186800000000 ] - [ -0.0002635200000000, 0.0007559100000000, 0.0002232500000000 ] - [ -0.0002132900000000, 0.0008252800000000, 0.0002845700000000 ] - [ -0.0020761000000000, -0.0008973300000000, -0.0009278900000000 ] - [ 0.0000658400000000, 0.0000839500000000, 0.0006135700000000 ] - [ -0.0000683100000000, 0.0002153000000000, 0.0000265200000000 ] - [ -0.0000902100000000, -0.0001386100000000, -0.0002780000000000 ] - [ 0.0002715300000000, -0.0003413100000000, 0.0003855700000000 ] - [ 0.0001047100000000, -0.0002048900000000, -0.0000326900000000 ] - [ -0.0009762200000000, -0.0009202800000000, -0.0012813100000000 ] - [ -0.0004665600000000, 0.0004481500000000, -0.0000270700000000 ] - [ 0.0002581800000000, 0.0008891900000000, -0.0003291500000000 ] - [ -0.0000947600000000, 0.0006732900000000, -0.0001480000000000 ] - [ -0.0009968300000000, -0.0001032900000000, 0.0008483900000000 ] - [ -0.0006541200000000, 0.0004206100000000, 0.0003370000000000 ] - [ -0.0010045900000000, -0.0017221900000000, 0.0007696700000000 ] - [ 0.0006534300000000, -0.0005078300000000, 0.0000785600000000 ]- atom: 62 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ 0.0004377800000000, -0.0005414100000000, 0.0007333400000000 ] - [ 0.0083026800000000, -0.0005813000000000, -0.0033625900000000 ] - [ 0.0039810300000000, -0.0015172000000000, -0.0030881300000000 ] - [ -0.0041063300000000, -0.0004251500000000, -0.0016902300000000 ] - [ 0.0001795900000000, 0.0003959800000000, -0.0009176200000000 ] - [ -0.0007265600000000, -0.0013747800000000, 0.0006348600000000 ] - [ -0.0018641700000000, -0.0009263000000000, 0.0013151500000000 ] - [ 0.0008991100000000, -0.0012605800000000, 0.0007544100000000 ] - [ -0.0001279000000000, 0.0007628800000000, -0.0009168300000000 ] - [ 0.0001870400000000, -0.0001012100000000, -0.0012833800000000 ] - [ -0.0004397700000000, 0.0005831600000000, -0.0005138900000000 ] - [ 0.0002061700000000, 0.0002348300000000, -0.0010494900000000 ] - [ -0.0006679100000000, 0.0001512500000000, -0.0016740500000000 ] - [ 0.0026339600000000, -0.0006896000000000, 0.0052199200000000 ] - [ -0.0020114800000000, 0.0027687100000000, 0.0004252900000000 ] - [ 0.0007853600000000, -0.0006796500000000, 0.0012408800000000 ] - [ 0.0002644100000000, 0.0002210900000000, -0.0011786100000000 ] - [ -0.0002214300000000, 0.0004816400000000, -0.0007450700000000 ] - [ -0.0005825400000000, 0.0005236400000000, -0.0013729300000000 ] - [ 0.0000626500000000, -0.0002301400000000, -0.0008005900000000 ] - [ 0.0005420000000000, -0.0030319800000000, -0.0024232000000000 ] - [ -0.0012701300000000, 0.0001730100000000, 0.0079410000000000 ] - [ 0.0002993100000000, -0.0000619500000000, 0.0005106600000000 ] - [ 0.0009764000000000, 0.0028970800000000, -0.0020919900000000 ] - [ -0.0002800800000000, 0.0005932600000000, -0.0006376500000000 ] - [ 0.0010409500000000, 0.0006726600000000, -0.0015527300000000 ] - [ 0.0017098500000000, 0.0006569300000000, 0.0075171300000000 ] - [ 0.0001446400000000, 0.0002856300000000, 0.0016477800000000 ] - [ 0.0005251900000000, 0.0003680300000000, -0.0013093300000000 ] - [ 0.0001679800000000, 0.0001866800000000, -0.0010833700000000 ] - [ -0.0003729500000000, 0.0005597500000000, -0.0010528000000000 ] - [ 0.0001517100000000, 0.0008771300000000, -0.0009709500000000 ] - [ -0.0000264200000000, 0.0019017800000000, 0.0045879000000000 ] - [ 0.0000877600000000, 0.0004298600000000, -0.0011051200000000 ] - [ -0.0011278400000000, -0.0001808000000000, -0.0003361500000000 ] - [ -0.0008750900000000, -0.0000537300000000, -0.0003249900000000 ] - [ -0.0008221600000000, 0.0006602400000000, 0.0036857100000000 ] - [ 0.0000454800000000, -0.0001445100000000, -0.0029981400000000 ] - [ -0.0003997700000000, 0.0003448100000000, -0.0020372800000000 ] - [ 0.0010014600000000, -0.0003284200000000, 0.0073575800000000 ] - [ 0.0009952100000000, -0.0009516300000000, -0.0006328900000000 ] - [ -0.0175928100000000, -0.0612400900000000, 0.0538934200000000 ] - [ -0.0007586500000000, -0.0009311600000000, -0.0024984200000000 ] - [ -0.0002434400000000, 0.0056876100000000, -0.0031223700000000 ] - [ 0.0016558300000000, -0.0002837500000000, -0.0011708900000000 ] - [ -0.0001788700000000, 0.0004180600000000, -0.0032011500000000 ] - [ 0.0003622300000000, 0.0004295100000000, -0.0014781900000000 ] - [ 0.0008399400000000, -0.0003975600000000, -0.0014524900000000 ] - [ 0.0002050600000000, -0.0003422700000000, -0.0000365300000000 ] - [ 0.0002983800000000, 0.0001990100000000, 0.0003588000000000 ] - [ 0.0001026400000000, 0.0001508700000000, 0.0011867100000000 ] - [ -0.0000820000000000, -0.0002801500000000, 0.0008981800000000 ] - [ 0.0005406400000000, -0.0003339700000000, -0.0007364500000000 ] - [ -0.0001528700000000, 0.0002852200000000, 0.0005804700000000 ] - [ 0.0009604300000000, 0.0001014100000000, 0.0000620400000000 ] - [ 0.0003915800000000, 0.0006382900000000, 0.0015024500000000 ] - [ 0.0008566400000000, -0.0006159100000000, -0.0018861300000000 ] - [ -0.0035406100000000, -0.0102921100000000, 0.0137253600000000 ] - [ -0.0094839600000000, -0.0140714800000000, 0.0036914100000000 ] - [ -0.0001434400000000, -0.0005760600000000, 0.0011948400000000 ] - [ 0.0006349300000000, -0.0004071600000000, 0.0025542000000000 ] - [ 0.0202892200000000, 0.0752701900000000, -0.0796176300000000 ] - [ -0.0003678800000000, -0.0003003500000000, 0.0005842100000000 ] - [ 0.0001730100000000, -0.0011604500000000, -0.0004062900000000 ] - [ 0.0002431600000000, 0.0005528800000000, 0.0004510300000000 ] - [ 0.0006695400000000, -0.0002417900000000, 0.0017865300000000 ] - [ -0.0000713000000000, 0.0001877700000000, 0.0008266700000000 ] - [ -0.0068141000000000, 0.0041169200000000, -0.0043285300000000 ] - [ -0.0002481600000000, 0.0001841000000000, 0.0002598800000000 ] - [ 0.0000278400000000, 0.0001531400000000, 0.0002118500000000 ] - [ 0.0014020900000000, 0.0006180500000000, 0.0011284900000000 ] - [ 0.0002726600000000, 0.0004013900000000, 0.0011157900000000 ] - [ -0.0007168400000000, 0.0005246900000000, 0.0009375900000000 ] - [ 0.0001100200000000, 0.0002692900000000, 0.0006752000000000 ] - [ -0.0016392600000000, 0.0007113600000000, -0.0017321100000000 ] - [ -0.0000974500000000, -0.0006302800000000, -0.0004769300000000 ] - [ 0.0000077800000000, 0.0005076900000000, 0.0002663800000000 ] - [ 0.0013330700000000, -0.0003228600000000, -0.0020917400000000 ] - [ -0.0001177400000000, 0.0000708000000000, -0.0011444800000000 ] - [ 0.0002901700000000, -0.0003247700000000, 0.0012123900000000 ] - [ -0.0005788600000000, -0.0002896800000000, 0.0002965000000000 ] - [ -0.0002452600000000, -0.0001165500000000, -0.0001348700000000 ] - [ 0.0044086500000000, 0.0012705300000000, -0.0013705800000000 ] - [ 0.0011090300000000, 0.0008092300000000, -0.0027329400000000 ] - [ -0.0002350300000000, 0.0009687500000000, 0.0011735800000000 ] - [ -0.0007601900000000, 0.0028306400000000, 0.0105452600000000 ] - [ -0.0000456100000000, -0.0004056200000000, 0.0006100700000000 ] - [ -0.0003897800000000, 0.0000434300000000, 0.0002773100000000 ] - [ -0.0000067300000000, 0.0004044900000000, 0.0005427300000000 ] - [ 0.0027989100000000, 0.0053841500000000, -0.0063379900000000 ] - [ -0.0000729900000000, 0.0006717300000000, 0.0010697500000000 ] - [ -0.0001342200000000, 0.0001439500000000, 0.0011025600000000 ] - [ -0.0002618200000000, -0.0002163000000000, 0.0008950400000000 ] - [ -0.0000413800000000, 0.0001709100000000, 0.0008523100000000 ] - [ 0.0006010900000000, 0.0013016200000000, -0.0049086500000000 ] - [ -0.0002987900000000, 0.0010935700000000, 0.0017458400000000 ] - [ -0.0008378700000000, 0.0014431700000000, -0.0013119700000000 ] - [ 0.0005060500000000, -0.0001726000000000, 0.0002865300000000 ] - [ -0.0006336100000000, -0.0005332500000000, -0.0010679100000000 ] - [ -0.0004617700000000, -0.0001800600000000, 0.0007730300000000 ] - [ 0.0012224100000000, -0.0009687900000000, 0.0028699900000000 ] - [ -0.0004128700000000, -0.0029184400000000, -0.0022653000000000 ] - [ -0.0021591400000000, -0.0022741100000000, -0.0015499000000000 ] - [ 0.0045042100000000, -0.0096782100000000, 0.0016947800000000 ] - [ -0.0003511200000000, 0.0003242400000000, 0.0014008500000000 ] - [ -0.0008670700000000, 0.0002259300000000, 0.0005001900000000 ] - [ 0.0001850900000000, -0.0000329300000000, -0.0013206200000000 ] - [ 0.0000829800000000, -0.0001452700000000, 0.0012458100000000 ] - [ -0.0000368500000000, 0.0000064600000000, 0.0006810300000000 ] - [ -0.0007390700000000, 0.0001949400000000, 0.0000843900000000 ] - [ 0.0000624000000000, -0.0001841100000000, 0.0006387800000000 ] - [ -0.0001768800000000, -0.0005213000000000, 0.0005455100000000 ] - [ -0.0010054300000000, -0.0008929200000000, -0.0021729900000000 ] - [ -0.0007437100000000, 0.0005160300000000, 0.0003779200000000 ] - [ 0.0002707000000000, 0.0007558200000000, 0.0003735100000000 ] - [ 0.0002030600000000, 0.0006907800000000, 0.0007749200000000 ] - [ -0.0014163200000000, -0.0000677100000000, 0.0008153300000000 ] - [ -0.0006568100000000, -0.0001193100000000, 0.0013708000000000 ] - [ -0.0020238200000000, -0.0015144100000000, 0.0015365400000000 ] - [ 0.0005158000000000, -0.0003945800000000, -0.0000523100000000 ]- atom: 62 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ -0.0005816200000000, 0.0000435300000000, -0.0007969500000000 ] - [ -0.0081142000000000, -0.0001451700000000, 0.0038529300000000 ] - [ -0.0034363600000000, 0.0005547500000000, 0.0024894200000000 ] - [ 0.0033707000000000, -0.0004155700000000, 0.0010995500000000 ] - [ 0.0000456000000000, 0.0003178000000000, 0.0014195400000000 ] - [ 0.0004414300000000, 0.0001783500000000, 0.0003538300000000 ] - [ 0.0013228300000000, -0.0000480500000000, -0.0007596500000000 ] - [ -0.0007380700000000, 0.0007656400000000, -0.0006848300000000 ] - [ -0.0000933000000000, 0.0008760800000000, 0.0010758900000000 ] - [ -0.0003323100000000, -0.0002001100000000, 0.0009707500000000 ] - [ 0.0001496200000000, 0.0006071800000000, 0.0015165300000000 ] - [ 0.0005190200000000, 0.0006083100000000, 0.0016413900000000 ] - [ 0.0004538700000000, 0.0005625800000000, 0.0011878500000000 ] - [ -0.0028525800000000, -0.0009553200000000, -0.0050338200000000 ] - [ 0.0022562400000000, -0.0033936500000000, -0.0010549200000000 ] - [ -0.0000655500000000, -0.0001669500000000, -0.0006497900000000 ] - [ -0.0001182900000000, 0.0002772700000000, 0.0012431600000000 ] - [ -0.0000173100000000, 0.0001498600000000, 0.0013772700000000 ] - [ 0.0004324500000000, -0.0000260900000000, 0.0012919700000000 ] - [ 0.0000775100000000, -0.0000733500000000, 0.0011068500000000 ] - [ -0.0002495000000000, 0.0018267700000000, 0.0014217100000000 ] - [ 0.0015282500000000, -0.0015785000000000, -0.0080122700000000 ] - [ -0.0005244000000000, -0.0006516300000000, -0.0010114600000000 ] - [ -0.0011201900000000, -0.0025848400000000, 0.0017781500000000 ] - [ -0.0002503800000000, 0.0003652100000000, 0.0012225000000000 ] - [ -0.0007539400000000, 0.0005190100000000, 0.0005493400000000 ] - [ -0.0017580000000000, -0.0002587400000000, -0.0072770100000000 ] - [ -0.0003993000000000, -0.0009128100000000, -0.0010109700000000 ] - [ 0.0000085200000000, 0.0005889100000000, 0.0007297600000000 ] - [ 0.0000707800000000, 0.0004453000000000, 0.0004492700000000 ] - [ -0.0003527900000000, 0.0002845000000000, 0.0004558600000000 ] - [ 0.0000689900000000, 0.0007638500000000, 0.0008098400000000 ] - [ 0.0008627100000000, -0.0027160100000000, -0.0039503200000000 ] - [ -0.0020223900000000, 0.0002174600000000, 0.0009487000000000 ] - [ 0.0009387400000000, 0.0004928900000000, 0.0013362200000000 ] - [ 0.0006881700000000, -0.0002608800000000, 0.0013145500000000 ] - [ -0.0008508800000000, 0.0011982400000000, -0.0052991000000000 ] - [ 0.0019016700000000, 0.0007927700000000, 0.0031681000000000 ] - [ -0.0004308500000000, 0.0004608900000000, 0.0013935800000000 ] - [ -0.0018258400000000, -0.0004882300000000, -0.0079976400000000 ] - [ 0.0006513500000000, -0.0009096400000000, 0.0022669500000000 ] - [ 0.0195522400000000, 0.0622706800000000, -0.0525884700000000 ] - [ -0.0008882300000000, -0.0009303200000000, 0.0008638100000000 ] - [ -0.0016961500000000, -0.0063522600000000, 0.0029610100000000 ] - [ 0.0002792700000000, -0.0003617700000000, 0.0013268200000000 ] - [ 0.0003634200000000, -0.0007292500000000, 0.0022024800000000 ] - [ 0.0004698900000000, 0.0003759100000000, 0.0021193100000000 ] - [ -0.0006623600000000, 0.0007134200000000, 0.0004519100000000 ] - [ -0.0007385300000000, -0.0001324800000000, 0.0000357600000000 ] - [ 0.0009035300000000, -0.0003009000000000, -0.0009480300000000 ] - [ 0.0006220700000000, 0.0000175000000000, -0.0000912700000000 ] - [ 0.0002810500000000, -0.0002256800000000, -0.0008823700000000 ] - [ -0.0012656700000000, 0.0001638700000000, -0.0003496800000000 ] - [ 0.0003170700000000, 0.0001764900000000, -0.0008385100000000 ] - [ -0.0004814400000000, -0.0002583100000000, -0.0002553100000000 ] - [ -0.0000167700000000, 0.0006688600000000, -0.0005872000000000 ] - [ -0.0009171800000000, 0.0000400600000000, 0.0016624300000000 ] - [ 0.0047740700000000, 0.0105419100000000, -0.0145443500000000 ] - [ 0.0095013400000000, 0.0143576500000000, -0.0036413200000000 ] - [ -0.0008563300000000, -0.0000535300000000, -0.0012182400000000 ] - [ 0.0000865200000000, 0.0002357500000000, -0.0014596400000000 ] - [ -0.0209473400000000, -0.0762997300000000, 0.0808589600000000 ] - [ -0.0003259000000000, 0.0003541000000000, -0.0009387300000000 ] - [ 0.0000165500000000, 0.0017117900000000, 0.0002907200000000 ] - [ -0.0007575500000000, 0.0000018300000000, -0.0006003000000000 ] - [ 0.0001439100000000, -0.0001265600000000, -0.0000428600000000 ] - [ 0.0002055100000000, 0.0003106500000000, -0.0005498100000000 ] - [ 0.0072180400000000, -0.0054666100000000, 0.0052899600000000 ] - [ -0.0001984600000000, 0.0001988300000000, -0.0013306500000000 ] - [ -0.0007482900000000, 0.0000157600000000, -0.0013078600000000 ] - [ -0.0003956200000000, 0.0000130100000000, -0.0011041700000000 ] - [ 0.0004219600000000, -0.0003470400000000, -0.0007612400000000 ] - [ 0.0012225400000000, 0.0000325000000000, -0.0007864300000000 ] - [ -0.0002420900000000, 0.0002268700000000, -0.0009528600000000 ] - [ 0.0011842100000000, -0.0001087100000000, 0.0018462200000000 ] - [ 0.0002629500000000, 0.0001708500000000, 0.0002084100000000 ] - [ -0.0001621200000000, -0.0000950100000000, -0.0011693800000000 ] - [ -0.0008825700000000, 0.0009262100000000, 0.0019770900000000 ] - [ 0.0001735500000000, -0.0006466900000000, 0.0013655800000000 ] - [ 0.0002443100000000, 0.0008001600000000, -0.0012145900000000 ] - [ 0.0000720100000000, -0.0002654600000000, -0.0004464800000000 ] - [ -0.0005672900000000, -0.0002514400000000, -0.0016073600000000 ] - [ -0.0045395900000000, -0.0017146100000000, 0.0016467800000000 ] - [ -0.0012572600000000, -0.0012256900000000, 0.0018342200000000 ] - [ -0.0002738700000000, 0.0007712300000000, -0.0002568400000000 ] - [ 0.0008979800000000, -0.0032643900000000, -0.0101368700000000 ] - [ 0.0005033100000000, -0.0001937800000000, -0.0007290900000000 ] - [ 0.0009331300000000, -0.0005183600000000, -0.0002763200000000 ] - [ -0.0005275200000000, 0.0000721900000000, -0.0005390800000000 ] - [ -0.0035009200000000, -0.0054445600000000, 0.0059789400000000 ] - [ 0.0001296200000000, -0.0000946700000000, -0.0008489500000000 ] - [ -0.0000653800000000, -0.0006754900000000, -0.0009738700000000 ] - [ 0.0000650900000000, -0.0002893800000000, -0.0009121400000000 ] - [ -0.0001200900000000, 0.0002918300000000, -0.0005962900000000 ] - [ -0.0007786100000000, -0.0008137500000000, 0.0048927900000000 ] - [ -0.0001466800000000, -0.0014911300000000, -0.0028414300000000 ] - [ 0.0015297600000000, -0.0014913800000000, 0.0016626800000000 ] - [ -0.0000304000000000, 0.0003290700000000, -0.0004768300000000 ] - [ 0.0014514400000000, 0.0008977500000000, 0.0028069300000000 ] - [ 0.0000025000000000, -0.0004184600000000, -0.0006532000000000 ] - [ -0.0007820200000000, 0.0013609600000000, -0.0018133200000000 ] - [ 0.0009205400000000, 0.0011738300000000, 0.0013450400000000 ] - [ 0.0023318400000000, 0.0018749600000000, 0.0024618800000000 ] - [ -0.0052444000000000, 0.0099176000000000, -0.0033923000000000 ] - [ -0.0001266000000000, -0.0001661500000000, -0.0012059600000000 ] - [ 0.0006685500000000, 0.0003045700000000, -0.0003691700000000 ] - [ -0.0003060700000000, -0.0004604500000000, 0.0010462200000000 ] - [ 0.0000700000000000, 0.0005574100000000, -0.0003416400000000 ] - [ -0.0000212400000000, 0.0005708500000000, -0.0009014500000000 ] - [ 0.0002649100000000, -0.0003542700000000, 0.0001103100000000 ] - [ 0.0003825800000000, -0.0001980800000000, 0.0004287600000000 ] - [ 0.0003743900000000, -0.0000094100000000, -0.0006768800000000 ] - [ 0.0006287400000000, -0.0004120800000000, 0.0012564300000000 ] - [ -0.0002547900000000, 0.0001125600000000, -0.0003972200000000 ] - [ 0.0002383000000000, 0.0009826000000000, -0.0012902400000000 ] - [ -0.0005796900000000, 0.0006156200000000, -0.0016924600000000 ] - [ 0.0002129900000000, 0.0001676300000000, -0.0002265900000000 ] - [ -0.0005466700000000, 0.0000184800000000, -0.0007847400000000 ] - [ 0.0025423800000000, 0.0009669300000000, -0.0013905700000000 ] - [ 0.0004872300000000, -0.0002345000000000, 0.0000763700000000 ]- atom: 63 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ 0.0004082000000000, -0.0002138200000000, 0.0000107500000000 ] - [ 0.0001282900000000, -0.0002805200000000, 0.0003502700000000 ] - [ 0.0000573900000000, -0.0005600000000000, -0.0001393700000000 ] - [ -0.0004832200000000, -0.0004345100000000, -0.0006666600000000 ] - [ -0.0000786000000000, 0.0028625200000000, 0.0021105000000000 ] - [ -0.0004241800000000, -0.0006174000000000, 0.0003599600000000 ] - [ -0.0003843800000000, -0.0005362400000000, 0.0002713500000000 ] - [ 0.0000994100000000, -0.0003205100000000, 0.0001422000000000 ] - [ -0.0069457800000000, -0.0005434400000000, 0.0006403600000000 ] - [ 0.0003668900000000, 0.0020165800000000, 0.0028597900000000 ] - [ -0.0001453700000000, -0.0011168500000000, -0.0028684900000000 ] - [ -0.0034636300000000, 0.0021645100000000, 0.0002604900000000 ] - [ -0.0014180700000000, 0.0001015100000000, -0.0007146500000000 ] - [ -0.0000840300000000, -0.0008538200000000, 0.0000824500000000 ] - [ 0.0000299000000000, -0.0003019800000000, -0.0004778900000000 ] - [ 0.0004852200000000, -0.0004853600000000, 0.0002644500000000 ] - [ -0.0046696000000000, -0.0024977900000000, 0.0071188400000000 ] - [ -0.0027412200000000, 0.0005652200000000, 0.0008820800000000 ] - [ -0.0014378400000000, 0.0004769800000000, -0.0005271700000000 ] - [ 0.0021771200000000, -0.0008489000000000, -0.0001405900000000 ] - [ -0.0003951500000000, -0.0005809500000000, -0.0005450400000000 ] - [ 0.0000493200000000, -0.0008048900000000, -0.0001203900000000 ] - [ 0.0003547400000000, -0.0004219300000000, -0.0001932000000000 ] - [ -0.0002679200000000, 0.0002231200000000, 0.0000080400000000 ] - [ 0.0133422800000000, -0.0142515200000000, 0.0081879200000000 ] - [ 0.0003060000000000, 0.0006354800000000, -0.0003769000000000 ] - [ -0.0000362800000000, 0.0002127000000000, 0.0001381600000000 ] - [ -0.0000114600000000, -0.0002798700000000, 0.0003575700000000 ] - [ 0.0009329700000000, -0.0027000000000000, 0.0031889700000000 ] - [ 0.0002908700000000, -0.0019702500000000, -0.0027151300000000 ] - [ -0.0003264100000000, 0.0025428700000000, -0.0019956400000000 ] - [ 0.0018325500000000, 0.0010833600000000, -0.0001533900000000 ] - [ 0.0005206300000000, -0.0003964100000000, 0.0003564100000000 ] - [ -0.0016074500000000, -0.0009295300000000, 0.0009932100000000 ] - [ 0.0003105600000000, 0.0007181700000000, -0.0004894800000000 ] - [ 0.0000498800000000, -0.0002338900000000, -0.0000588000000000 ] - [ -0.0008182600000000, 0.0009511700000000, -0.0007424800000000 ] - [ 0.0002212700000000, 0.0005725000000000, 0.0008488300000000 ] - [ -0.0078890200000000, 0.0001318500000000, -0.0070059700000000 ] - [ -0.0003114800000000, -0.0004297600000000, -0.0003301000000000 ] - [ 0.0306827600000000, 0.0008153000000000, -0.0006445600000000 ] - [ 0.0006576800000000, 0.0009437500000000, 0.0008248400000000 ] - [ -0.0021010300000000, 0.0006930400000000, -0.0006931000000000 ] - [ -0.0011063700000000, -0.0003217100000000, 0.0001026400000000 ] - [ 0.0041614200000000, -0.0003766500000000, 0.0022505800000000 ] - [ -0.0018370900000000, -0.0005450600000000, 0.0000320900000000 ] - [ -0.0014053700000000, -0.0003526100000000, -0.0003314800000000 ] - [ 0.0019176200000000, -0.0000835500000000, -0.0001272100000000 ] - [ -0.0004208800000000, -0.0004232200000000, 0.0003497400000000 ] - [ 0.0001340600000000, 0.0000826700000000, -0.0003408100000000 ] - [ -0.0009292400000000, -0.0000097900000000, -0.0011382400000000 ] - [ 0.0047178700000000, 0.0103108100000000, -0.0154467800000000 ] - [ -0.0002167500000000, -0.0000949200000000, -0.0003119800000000 ] - [ -0.0014088900000000, 0.0001767600000000, -0.0003146200000000 ] - [ 0.0000356900000000, -0.0001272100000000, 0.0004309300000000 ] - [ 0.0165897100000000, -0.0081005000000000, 0.0060341600000000 ] - [ -0.0001237600000000, -0.0002523800000000, -0.0000277900000000 ] - [ 0.0006743300000000, 0.0000074300000000, -0.0003489600000000 ] - [ 0.0001909800000000, 0.0002571100000000, -0.0000515800000000 ] - [ 0.0006511100000000, -0.0000857500000000, 0.0005443900000000 ] - [ 0.0009385100000000, -0.0000213700000000, 0.0003964000000000 ] - [ -0.0002124500000000, -0.0008820700000000, 0.0004581800000000 ] - [ -0.0563939000000000, 0.0211715100000000, -0.0048812800000000 ] - [ 0.0001701100000000, 0.0003015100000000, -0.0001263500000000 ] - [ 0.0003515200000000, 0.0002445900000000, -0.0001414100000000 ] - [ 0.0015084000000000, -0.0005585700000000, 0.0008467400000000 ] - [ -0.0015202400000000, 0.0002167800000000, 0.0001052900000000 ] - [ 0.0001600900000000, -0.0006427900000000, 0.0004077000000000 ] - [ -0.0006544100000000, -0.0013684300000000, -0.0052334400000000 ] - [ -0.0011758700000000, 0.0003915600000000, -0.0004173300000000 ] - [ 0.0008588100000000, -0.0001696300000000, 0.0006892600000000 ] - [ 0.0008858300000000, 0.0002538600000000, -0.0001611900000000 ] - [ 0.0004647700000000, 0.0002923400000000, -0.0001837100000000 ] - [ 0.0100947300000000, -0.0010960900000000, 0.0039742900000000 ] - [ -0.0003438300000000, 0.0003025400000000, 0.0000616400000000 ] - [ 0.0002432500000000, -0.0002697900000000, -0.0000939300000000 ] - [ 0.0013981600000000, 0.0010258200000000, 0.0007926000000000 ] - [ 0.0002471900000000, 0.0003022500000000, -0.0000440800000000 ] - [ 0.0000010000000000, -0.0002656800000000, 0.0000806300000000 ] - [ 0.0015346100000000, 0.0001713900000000, -0.0005410100000000 ] - [ -0.0018406700000000, -0.0000944800000000, 0.0005059000000000 ] - [ -0.0019786700000000, -0.0060696000000000, 0.0071281100000000 ] - [ -0.0000753800000000, -0.0002143900000000, 0.0001716500000000 ] - [ -0.0001688900000000, -0.0001984800000000, -0.0004364300000000 ] - [ -0.0049769800000000, -0.0016064200000000, 0.0015798700000000 ] - [ 0.0002676600000000, -0.0002362800000000, 0.0001971600000000 ] - [ 0.0007540500000000, 0.0011919900000000, 0.0006417600000000 ] - [ -0.0001064900000000, -0.0003396000000000, -0.0002910200000000 ] - [ -0.0002562300000000, 0.0005593900000000, 0.0004871100000000 ] - [ -0.0002832000000000, -0.0000275100000000, -0.0001959700000000 ] - [ 0.0020065600000000, 0.0011175200000000, -0.0000215400000000 ] - [ 0.0009145500000000, -0.0002320200000000, -0.0007081500000000 ] - [ -0.0003004600000000, -0.0035260800000000, -0.0009404900000000 ] - [ 0.0016477500000000, 0.0027293700000000, 0.0009151800000000 ] - [ -0.0000381500000000, 0.0002464800000000, -0.0000023000000000 ] - [ -0.0001926500000000, -0.0002110900000000, -0.0007690700000000 ] - [ 0.0003880400000000, -0.0000018800000000, 0.0001099100000000 ] - [ 0.0001894700000000, -0.0001365100000000, 0.0002748100000000 ] - [ 0.0003587700000000, 0.0001681400000000, 0.0008438200000000 ] - [ 0.0052610400000000, -0.0001879200000000, -0.0002073000000000 ] - [ 0.0004770900000000, 0.0001956400000000, 0.0004765900000000 ] - [ 0.0002837600000000, -0.0009071600000000, -0.0005308500000000 ] - [ 0.0000617400000000, -0.0002473600000000, 0.0004133400000000 ] - [ -0.0003308600000000, 0.0001929600000000, -0.0007959900000000 ] - [ 0.0016088900000000, 0.0003983100000000, -0.0001919100000000 ] - [ -0.0005033000000000, 0.0004584200000000, -0.0004006200000000 ] - [ -0.0000602700000000, -0.0002597600000000, -0.0000727800000000 ] - [ 0.0008506500000000, -0.0004026600000000, 0.0004652800000000 ] - [ 0.0013986100000000, -0.0006317500000000, 0.0011666200000000 ] - [ -0.0005688300000000, 0.0000735200000000, -0.0000787600000000 ] - [ -0.0002261100000000, 0.0000794100000000, -0.0001647600000000 ] - [ -0.0022847300000000, 0.0046116800000000, -0.0044884300000000 ] - [ -0.0003080000000000, -0.0006722000000000, -0.0005253000000000 ] - [ -0.0011675300000000, 0.0004535000000000, 0.0011431200000000 ] - [ 0.0012354900000000, -0.0006206300000000, -0.0012811700000000 ] - [ 0.0010097300000000, 0.0006446900000000, 0.0000162200000000 ] - [ -0.0010868100000000, -0.0001946300000000, -0.0002732800000000 ] - [ 0.0001537300000000, -0.0000911300000000, -0.0002274100000000 ] - [ 0.0002110700000000, -0.0003004500000000, 0.0000384200000000 ] - [ 0.0002312900000000, -0.0002727200000000, 0.0000761800000000 ]- atom: 63 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ -0.0005524700000000, -0.0002848300000000, -0.0000746800000000 ] - [ 0.0000893000000000, -0.0004339800000000, 0.0001412600000000 ] - [ 0.0004722300000000, -0.0004015200000000, -0.0004469200000000 ] - [ -0.0002423300000000, -0.0004118000000000, 0.0000759100000000 ] - [ 0.0003201900000000, -0.0021383000000000, -0.0016053600000000 ] - [ 0.0001346800000000, -0.0005724600000000, 0.0006463800000000 ] - [ -0.0001493600000000, -0.0004234400000000, 0.0003145800000000 ] - [ 0.0000522400000000, -0.0001771400000000, -0.0000569200000000 ] - [ 0.0067557500000000, 0.0021964000000000, -0.0005067200000000 ] - [ -0.0005201400000000, -0.0023162700000000, -0.0031763100000000 ] - [ -0.0001476200000000, 0.0023124400000000, 0.0038844700000000 ] - [ 0.0041971300000000, -0.0013278200000000, 0.0003339200000000 ] - [ 0.0012003200000000, 0.0006111900000000, 0.0002217000000000 ] - [ -0.0001347400000000, -0.0007884300000000, 0.0000819700000000 ] - [ 0.0002080000000000, -0.0003276900000000, -0.0001517300000000 ] - [ 0.0002413400000000, -0.0003632300000000, 0.0003343600000000 ] - [ 0.0049709200000000, 0.0030191000000000, -0.0071057300000000 ] - [ 0.0025028300000000, 0.0000701700000000, -0.0002495300000000 ] - [ 0.0012836400000000, 0.0000205100000000, 0.0004424000000000 ] - [ -0.0020592200000000, 0.0005374400000000, 0.0004286700000000 ] - [ 0.0006881400000000, -0.0006067200000000, -0.0004542800000000 ] - [ 0.0001699600000000, -0.0008343500000000, -0.0000375700000000 ] - [ -0.0005798000000000, -0.0002926000000000, -0.0003076300000000 ] - [ 0.0001295100000000, 0.0000841100000000, -0.0003151200000000 ] - [ -0.0138969500000000, 0.0157133500000000, -0.0079552300000000 ] - [ -0.0000147200000000, 0.0005507000000000, -0.0006192800000000 ] - [ 0.0001795000000000, 0.0000922000000000, 0.0001800500000000 ] - [ -0.0002273200000000, -0.0003486100000000, 0.0002777300000000 ] - [ -0.0004052900000000, 0.0036577300000000, -0.0037677300000000 ] - [ -0.0000365600000000, 0.0026102100000000, 0.0020802900000000 ] - [ -0.0003833600000000, -0.0017052800000000, 0.0014129500000000 ] - [ -0.0016150500000000, 0.0005309800000000, 0.0000038000000000 ] - [ 0.0003041600000000, -0.0004065900000000, 0.0002908200000000 ] - [ -0.0003094100000000, 0.0015751200000000, -0.0011478300000000 ] - [ -0.0005024600000000, -0.0004115100000000, 0.0014887100000000 ] - [ -0.0002328600000000, -0.0000799100000000, 0.0010578000000000 ] - [ -0.0008244700000000, 0.0009129200000000, -0.0008914700000000 ] - [ 0.0017035500000000, 0.0000793600000000, -0.0006983800000000 ] - [ 0.0070606100000000, 0.0006572500000000, 0.0063005800000000 ] - [ -0.0005133200000000, -0.0003737200000000, -0.0003071000000000 ] - [ -0.0287891400000000, -0.0016725400000000, 0.0012616200000000 ] - [ 0.0009857100000000, 0.0009198200000000, 0.0008176200000000 ] - [ 0.0004390600000000, -0.0025719700000000, -0.0009495000000000 ] - [ -0.0008238600000000, -0.0003292300000000, -0.0002491500000000 ] - [ -0.0022337000000000, -0.0002763000000000, -0.0021027900000000 ] - [ 0.0020275900000000, 0.0002317300000000, -0.0010240700000000 ] - [ 0.0022437300000000, 0.0011494600000000, 0.0009570600000000 ] - [ -0.0017348400000000, 0.0003980200000000, -0.0008605900000000 ] - [ -0.0001131000000000, -0.0000666900000000, -0.0003446800000000 ] - [ 0.0010605200000000, -0.0001705500000000, -0.0002372600000000 ] - [ 0.0016572800000000, 0.0001745100000000, 0.0022370500000000 ] - [ -0.0045191400000000, -0.0109172200000000, 0.0156366000000000 ] - [ -0.0005092100000000, -0.0000704300000000, -0.0007877100000000 ] - [ 0.0015726800000000, 0.0002830600000000, 0.0000578600000000 ] - [ 0.0004369900000000, -0.0000128400000000, -0.0006205800000000 ] - [ -0.0159318300000000, 0.0092194300000000, -0.0050627500000000 ] - [ 0.0000659100000000, -0.0003235700000000, -0.0001931200000000 ] - [ 0.0005256800000000, 0.0000901800000000, -0.0002404600000000 ] - [ 0.0000077300000000, 0.0002503200000000, 0.0000696500000000 ] - [ -0.0016666000000000, -0.0005371500000000, -0.0005617600000000 ] - [ -0.0002160500000000, -0.0001447500000000, 0.0006976600000000 ] - [ -0.0003006000000000, -0.0008630200000000, 0.0004575600000000 ] - [ 0.0551680000000000, -0.0224574300000000, 0.0058143500000000 ] - [ 0.0000267700000000, 0.0002307700000000, -0.0000051300000000 ] - [ -0.0008352000000000, 0.0003043300000000, -0.0000063700000000 ] - [ -0.0006943900000000, 0.0001925100000000, 0.0008976000000000 ] - [ 0.0016535500000000, 0.0002784900000000, 0.0001581300000000 ] - [ 0.0002093700000000, -0.0006621200000000, 0.0004954800000000 ] - [ 0.0002080800000000, 0.0017348300000000, 0.0041495100000000 ] - [ 0.0004561500000000, -0.0002338500000000, -0.0006767400000000 ] - [ 0.0001513800000000, 0.0007966200000000, -0.0006769000000000 ] - [ -0.0001874300000000, -0.0001883800000000, 0.0005282700000000 ] - [ 0.0000224700000000, 0.0002622700000000, 0.0003283600000000 ] - [ -0.0103257700000000, 0.0016432400000000, -0.0043235000000000 ] - [ -0.0001349100000000, 0.0002902400000000, 0.0000599500000000 ] - [ -0.0000822200000000, -0.0001917100000000, -0.0001600100000000 ] - [ -0.0015636700000000, -0.0006016300000000, -0.0016813000000000 ] - [ 0.0002319200000000, 0.0002907700000000, -0.0000805700000000 ] - [ 0.0000576100000000, -0.0003117100000000, 0.0001377400000000 ] - [ -0.0009980500000000, 0.0003201200000000, 0.0005302300000000 ] - [ 0.0013618900000000, -0.0004564900000000, -0.0006560800000000 ] - [ 0.0011287800000000, 0.0056917500000000, -0.0087938800000000 ] - [ -0.0000850600000000, -0.0002473500000000, 0.0000778100000000 ] - [ 0.0000111100000000, -0.0002131600000000, -0.0004697200000000 ] - [ 0.0044325400000000, 0.0034125000000000, -0.0006766600000000 ] - [ -0.0001389000000000, -0.0002582300000000, 0.0000757100000000 ] - [ -0.0002940800000000, -0.0017759200000000, -0.0007541500000000 ] - [ 0.0006443200000000, -0.0001521800000000, 0.0002829100000000 ] - [ -0.0002816600000000, -0.0000732200000000, -0.0004831000000000 ] - [ -0.0004087900000000, -0.0000337000000000, -0.0001682700000000 ] - [ -0.0019404000000000, -0.0005288600000000, 0.0002473300000000 ] - [ -0.0011078000000000, -0.0003009200000000, 0.0008391600000000 ] - [ 0.0001189000000000, 0.0030422200000000, 0.0009303400000000 ] - [ -0.0018117800000000, -0.0022937900000000, -0.0006668200000000 ] - [ -0.0001598300000000, 0.0002612600000000, -0.0000198000000000 ] - [ -0.0002472800000000, -0.0001739600000000, -0.0002877400000000 ] - [ 0.0003042900000000, -0.0000586300000000, 0.0002520200000000 ] - [ 0.0002776900000000, 0.0002791900000000, -0.0004617900000000 ] - [ 0.0004468100000000, 0.0001994400000000, 0.0008860000000000 ] - [ -0.0057045400000000, -0.0004078200000000, 0.0003387600000000 ] - [ -0.0000384400000000, 0.0001889000000000, 0.0005749400000000 ] - [ 0.0002296800000000, -0.0008394400000000, -0.0003890600000000 ] - [ 0.0000982500000000, -0.0001724600000000, 0.0004857600000000 ] - [ -0.0004795200000000, 0.0001750700000000, -0.0009447300000000 ] - [ -0.0020897200000000, -0.0002515000000000, 0.0003817800000000 ] - [ 0.0003085000000000, 0.0000795100000000, 0.0005267300000000 ] - [ -0.0000690200000000, -0.0002346600000000, -0.0002044400000000 ] - [ -0.0006953800000000, 0.0008112000000000, 0.0004423500000000 ] - [ -0.0014670200000000, 0.0012072200000000, -0.0013658300000000 ] - [ 0.0000995400000000, -0.0002161100000000, 0.0002641400000000 ] - [ 0.0006661200000000, -0.0004606300000000, 0.0012214500000000 ] - [ 0.0024484400000000, -0.0051156500000000, 0.0043274500000000 ] - [ -0.0000635200000000, -0.0006323100000000, -0.0003846000000000 ] - [ 0.0001593600000000, 0.0001681200000000, -0.0011665700000000 ] - [ -0.0007253100000000, 0.0023709200000000, 0.0003763300000000 ] - [ -0.0013842500000000, 0.0006609800000000, -0.0009238900000000 ] - [ -0.0001135200000000, 0.0002883900000000, 0.0008577100000000 ] - [ -0.0013487800000000, -0.0000038800000000, 0.0008140300000000 ] - [ 0.0002764300000000, -0.0002487900000000, 0.0001074100000000 ] - [ 0.0007769400000000, -0.0003496000000000, -0.0000631700000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000687400000000, 0.0000988200000000, 0.0009230700000000 ] - [ 0.0000300700000000, -0.0002474800000000, 0.0008815000000000 ] - [ 0.0001720500000000, -0.0003889100000000, 0.0001936600000000 ] - [ -0.0002985600000000, -0.0001826200000000, 0.0001962000000000 ] - [ 0.0018863700000000, -0.0009601200000000, -0.0026403500000000 ] - [ 0.0001375700000000, -0.0006182400000000, 0.0011980700000000 ] - [ -0.0002204700000000, -0.0004585000000000, 0.0007655000000000 ] - [ -0.0000372300000000, -0.0003330700000000, 0.0007023500000000 ] - [ -0.0013683100000000, 0.0046283200000000, -0.0036249800000000 ] - [ -0.0001210400000000, 0.0027482800000000, -0.0001578200000000 ] - [ -0.0004398600000000, 0.0034142900000000, 0.0002360400000000 ] - [ 0.0014485800000000, -0.0009881300000000, 0.0002069900000000 ] - [ 0.0000462300000000, 0.0009120400000000, -0.0005636000000000 ] - [ -0.0001091500000000, -0.0008642600000000, 0.0006161300000000 ] - [ 0.0001034300000000, -0.0004487400000000, 0.0001411000000000 ] - [ 0.0004342600000000, -0.0006424100000000, 0.0009242000000000 ] - [ -0.0067212600000000, 0.0047292500000000, 0.0018981700000000 ] - [ -0.0006044000000000, -0.0006638300000000, -0.0002241900000000 ] - [ 0.0001461900000000, -0.0005255900000000, -0.0002780900000000 ] - [ -0.0027943300000000, -0.0050183000000000, -0.0041338300000000 ] - [ -0.0003523600000000, -0.0004542200000000, 0.0002885400000000 ] - [ 0.0001042100000000, -0.0007699800000000, 0.0004261100000000 ] - [ 0.0000910500000000, -0.0008662000000000, 0.0005128200000000 ] - [ -0.0000838100000000, 0.0000192800000000, 0.0003173900000000 ] - [ -0.0129553800000000, 0.0169964500000000, -0.0090793500000000 ] - [ 0.0000500700000000, -0.0007023200000000, -0.0001862300000000 ] - [ 0.0001206700000000, 0.0001574300000000, 0.0006414900000000 ] - [ -0.0000690800000000, -0.0001616100000000, 0.0009217300000000 ] - [ -0.0009350200000000, -0.0017794300000000, 0.0015532900000000 ] - [ -0.0004109800000000, 0.0030289500000000, -0.0023767000000000 ] - [ 0.0010897200000000, -0.0010566900000000, 0.0014213500000000 ] - [ -0.0010957900000000, -0.0072458500000000, 0.0010002100000000 ] - [ 0.0004684000000000, -0.0004011500000000, 0.0013318600000000 ] - [ -0.0011607300000000, -0.0081400100000000, 0.0024682200000000 ] - [ 0.0003115800000000, -0.0004369400000000, 0.0013083900000000 ] - [ 0.0000843400000000, -0.0004997100000000, 0.0009826500000000 ] - [ -0.0008863900000000, 0.0008928100000000, 0.0000908600000000 ] - [ 0.0006393000000000, 0.0006366100000000, 0.0009310900000000 ] - [ 0.0016677700000000, 0.0009632800000000, 0.0005687600000000 ] - [ -0.0004547200000000, -0.0004203300000000, 0.0005860800000000 ] - [ 0.0054668500000000, 0.1474507100000000, -0.1180088300000000 ] - [ 0.0007890900000000, 0.0009347500000000, 0.0015769800000000 ] - [ 0.0026157900000000, -0.0016653500000000, -0.0039182900000000 ] - [ -0.0011805800000000, -0.0003018300000000, 0.0003397700000000 ] - [ 0.0005963300000000, 0.0002936400000000, -0.0002996400000000 ] - [ 0.0004027600000000, 0.0013283000000000, -0.0005008700000000 ] - [ -0.0004453000000000, -0.0016354600000000, -0.0011622100000000 ] - [ -0.0001409100000000, 0.0002750700000000, 0.0012463700000000 ] - [ -0.0004269500000000, 0.0001000900000000, -0.0004135400000000 ] - [ -0.0000917900000000, 0.0032749700000000, 0.0018322200000000 ] - [ 0.0001257000000000, -0.0001676200000000, -0.0010569100000000 ] - [ 0.0071816500000000, -0.0010126300000000, -0.0072325500000000 ] - [ -0.0005160800000000, -0.0000160600000000, -0.0009365200000000 ] - [ 0.0001717600000000, 0.0004608300000000, 0.0015199200000000 ] - [ 0.0000651200000000, -0.0001546100000000, -0.0005916700000000 ] - [ -0.0062010800000000, -0.0005102000000000, 0.0006487100000000 ] - [ 0.0000149400000000, -0.0004977500000000, -0.0005529900000000 ] - [ 0.0006844600000000, 0.0000963100000000, -0.0005778300000000 ] - [ 0.0001617900000000, 0.0002371900000000, -0.0004162700000000 ] - [ -0.0006140000000000, -0.0007879400000000, -0.0002378300000000 ] - [ 0.0002653800000000, -0.0002784500000000, 0.0004747900000000 ] - [ -0.0002818100000000, -0.0008428200000000, 0.0000796600000000 ] - [ 0.0219509500000000, -0.1971475000000000, 0.1596027400000000 ] - [ 0.0001713200000000, 0.0002240700000000, -0.0003373600000000 ] - [ -0.0001875000000000, 0.0002107800000000, -0.0003289800000000 ] - [ 0.0001044400000000, 0.0006334200000000, 0.0014999600000000 ] - [ 0.0005634500000000, 0.0014335800000000, -0.0019957800000000 ] - [ 0.0000788500000000, -0.0006628200000000, -0.0001114200000000 ] - [ -0.0008493100000000, -0.0009217400000000, 0.0010703000000000 ] - [ -0.0007673500000000, 0.0002661200000000, -0.0000685200000000 ] - [ 0.0003983300000000, 0.0006112800000000, -0.0002716700000000 ] - [ 0.0001221300000000, 0.0016815300000000, 0.0019007000000000 ] - [ 0.0019235200000000, 0.0020080600000000, -0.0009027700000000 ] - [ -0.0092092800000000, -0.0019631000000000, -0.0018486200000000 ] - [ -0.0000778400000000, 0.0003611800000000, -0.0003312600000000 ] - [ 0.0001934000000000, -0.0001102400000000, -0.0006129100000000 ] - [ -0.0007764400000000, -0.0006507100000000, -0.0004489600000000 ] - [ 0.0003766000000000, 0.0002401200000000, -0.0004422700000000 ] - [ 0.0000903400000000, -0.0000565000000000, -0.0004056100000000 ] - [ 0.0003762800000000, -0.0001051700000000, 0.0008114500000000 ] - [ -0.0002427000000000, -0.0006915900000000, 0.0000744600000000 ] - [ -0.0048000100000000, -0.0030194500000000, -0.0072600200000000 ] - [ -0.0001269700000000, -0.0003085100000000, -0.0003086200000000 ] - [ -0.0000722200000000, -0.0000215500000000, -0.0008206800000000 ] - [ -0.0006889100000000, 0.0210569200000000, -0.0057456200000000 ] - [ 0.0000640500000000, -0.0003500100000000, -0.0002617000000000 ] - [ 0.0008755700000000, 0.0025204600000000, 0.0014977300000000 ] - [ 0.0003099700000000, -0.0006922600000000, -0.0008220700000000 ] - [ -0.0002559200000000, 0.0000777100000000, -0.0000024400000000 ] - [ -0.0003519000000000, -0.0001788100000000, -0.0005763300000000 ] - [ 0.0008087500000000, 0.0011558700000000, 0.0012557500000000 ] - [ 0.0003646800000000, -0.0001416400000000, -0.0003875100000000 ] - [ -0.0026195300000000, 0.0097163500000000, 0.0041797200000000 ] - [ 0.0023652600000000, 0.0000923100000000, 0.0017881700000000 ] - [ -0.0000377500000000, 0.0002745300000000, -0.0004829500000000 ] - [ -0.0002172300000000, -0.0002239500000000, -0.0010271900000000 ] - [ 0.0003780400000000, 0.0001286000000000, -0.0003111600000000 ] - [ 0.0000199700000000, 0.0004494800000000, -0.0003597800000000 ] - [ 0.0002931200000000, 0.0001494100000000, 0.0004140000000000 ] - [ -0.0011967200000000, -0.0003008400000000, 0.0004518900000000 ] - [ 0.0002054700000000, 0.0002038700000000, 0.0005351800000000 ] - [ 0.0002495100000000, -0.0008783200000000, -0.0008834900000000 ] - [ 0.0000838700000000, -0.0004448900000000, -0.0000028700000000 ] - [ -0.0005122700000000, 0.0002341100000000, -0.0012594600000000 ] - [ -0.0006246600000000, -0.0007991800000000, -0.0002479000000000 ] - [ 0.0000216400000000, -0.0001510900000000, -0.0001937900000000 ] - [ -0.0001625400000000, -0.0001598200000000, -0.0006089800000000 ] - [ -0.0002319300000000, 0.0012165600000000, 0.0006622700000000 ] - [ -0.0010239200000000, 0.0005484400000000, 0.0001211600000000 ] - [ -0.0001164700000000, 0.0002825800000000, -0.0006227700000000 ] - [ -0.0006068600000000, 0.0012993800000000, -0.0014235000000000 ] - [ 0.0075366200000000, 0.0121259700000000, -0.0155239000000000 ] - [ -0.0004231500000000, -0.0006719200000000, -0.0012391500000000 ] - [ -0.0005093200000000, 0.0001858200000000, -0.0013833700000000 ] - [ -0.0002111000000000, 0.0002932400000000, 0.0009502800000000 ] - [ 0.0002778100000000, 0.0009138700000000, 0.0004042900000000 ] - [ -0.0004498000000000, 0.0002049700000000, 0.0001810700000000 ] - [ -0.0003121800000000, -0.0003810900000000, 0.0000971400000000 ] - [ 0.0004341000000000, -0.0001604500000000, -0.0001063300000000 ] - [ 0.0003988800000000, -0.0001397600000000, -0.0003116700000000 ]- atom: 63 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002124900000000, -0.0005941300000000, -0.0009895000000000 ] - [ 0.0001861800000000, -0.0004641400000000, -0.0003977400000000 ] - [ 0.0003579700000000, -0.0005685900000000, -0.0007808800000000 ] - [ -0.0004271700000000, -0.0006605200000000, -0.0007927000000000 ] - [ -0.0016863800000000, 0.0016561800000000, 0.0031638100000000 ] - [ -0.0004253500000000, -0.0005734000000000, -0.0001962400000000 ] - [ -0.0003133300000000, -0.0004993500000000, -0.0001888600000000 ] - [ 0.0001896500000000, -0.0001658600000000, -0.0006241600000000 ] - [ 0.0011292100000000, -0.0030086600000000, 0.0038098100000000 ] - [ -0.0000255900000000, -0.0030541300000000, -0.0001587400000000 ] - [ 0.0001386500000000, -0.0022424700000000, 0.0007557500000000 ] - [ -0.0007383400000000, 0.0018441900000000, 0.0003921400000000 ] - [ -0.0002615700000000, -0.0001968300000000, 0.0000764500000000 ] - [ -0.0001114900000000, -0.0007774600000000, -0.0004573700000000 ] - [ 0.0001352300000000, -0.0001819300000000, -0.0007762000000000 ] - [ 0.0002910500000000, -0.0002019500000000, -0.0003326200000000 ] - [ 0.0069040600000000, -0.0041880000000000, -0.0018528500000000 ] - [ 0.0003673200000000, 0.0012910800000000, 0.0008600500000000 ] - [ -0.0002950500000000, 0.0010206200000000, 0.0001955400000000 ] - [ 0.0029790800000000, 0.0047397500000000, 0.0045104200000000 ] - [ 0.0006391200000000, -0.0007351300000000, -0.0012914700000000 ] - [ 0.0001171400000000, -0.0008685800000000, -0.0005872000000000 ] - [ -0.0003141400000000, 0.0001497400000000, -0.0010157500000000 ] - [ -0.0000560400000000, 0.0002833700000000, -0.0006264800000000 ] - [ 0.0115543400000000, -0.0150770200000000, 0.0087800100000000 ] - [ 0.0002398900000000, 0.0018970800000000, -0.0008221700000000 ] - [ 0.0000240000000000, 0.0001452000000000, -0.0003319800000000 ] - [ -0.0001709600000000, -0.0004690100000000, -0.0002911400000000 ] - [ 0.0014748800000000, 0.0027340300000000, -0.0021394800000000 ] - [ 0.0006517000000000, -0.0023848300000000, 0.0017488200000000 ] - [ -0.0018180600000000, 0.0018891000000000, -0.0020148600000000 ] - [ 0.0013234000000000, 0.0089477400000000, -0.0012288900000000 ] - [ 0.0003641300000000, -0.0004052300000000, -0.0006923900000000 ] - [ -0.0007705400000000, 0.0088350200000000, -0.0026356700000000 ] - [ -0.0005003400000000, 0.0007503000000000, -0.0003214700000000 ] - [ -0.0002713100000000, 0.0001842000000000, 0.0000105200000000 ] - [ -0.0007613000000000, 0.0009677800000000, -0.0017276100000000 ] - [ 0.0012981800000000, 0.0000120800000000, -0.0007780200000000 ] - [ -0.0024839900000000, -0.0001476500000000, -0.0011900000000000 ] - [ -0.0003778500000000, -0.0003854500000000, -0.0012324300000000 ] - [ -0.0040369600000000, -0.1544010100000000, 0.1262850500000000 ] - [ 0.0008588900000000, 0.0009267400000000, 0.0000533400000000 ] - [ -0.0042300600000000, -0.0001823700000000, 0.0022807800000000 ] - [ -0.0007543900000000, -0.0003456600000000, -0.0005005600000000 ] - [ 0.0013366600000000, -0.0009426500000000, 0.0004385700000000 ] - [ -0.0002151200000000, -0.0016481100000000, -0.0004973600000000 ] - [ 0.0012482100000000, 0.0024505100000000, 0.0018180500000000 ] - [ 0.0003216900000000, 0.0000384700000000, -0.0022464600000000 ] - [ -0.0001104200000000, -0.0005773000000000, 0.0004250800000000 ] - [ 0.0012959400000000, -0.0033832900000000, -0.0024439400000000 ] - [ 0.0005976900000000, 0.0003355300000000, 0.0021567000000000 ] - [ -0.0071113300000000, 0.0005700800000000, 0.0073655600000000 ] - [ -0.0002046000000000, -0.0001518600000000, -0.0001582400000000 ] - [ -0.0000128800000000, 0.0000004800000000, -0.0017723500000000 ] - [ 0.0004094500000000, -0.0000024600000000, 0.0004048600000000 ] - [ 0.0065821000000000, 0.0018789100000000, 0.0002485100000000 ] - [ -0.0000732400000000, -0.0000804000000000, 0.0003291000000000 ] - [ 0.0005130600000000, 0.0000084600000000, -0.0000129300000000 ] - [ 0.0000372400000000, 0.0002697800000000, 0.0004331000000000 ] - [ -0.0003880900000000, 0.0001587100000000, 0.0002141700000000 ] - [ 0.0004550500000000, 0.0001109900000000, 0.0006243800000000 ] - [ -0.0002276200000000, -0.0009009100000000, 0.0008411900000000 ] - [ -0.0215633000000000, 0.2014629600000000, -0.1659976400000000 ] - [ 0.0000236400000000, 0.0003060700000000, 0.0002055700000000 ] - [ -0.0003158600000000, 0.0003464000000000, 0.0001773900000000 ] - [ 0.0007007100000000, -0.0010052700000000, 0.0002376700000000 ] - [ -0.0004334200000000, -0.0009267700000000, 0.0022961300000000 ] - [ 0.0002961600000000, -0.0006460900000000, 0.0010372100000000 ] - [ 0.0003962400000000, 0.0013282800000000, -0.0021261800000000 ] - [ 0.0000481400000000, -0.0001389400000000, -0.0010069700000000 ] - [ 0.0006091200000000, 0.0000181700000000, 0.0002972300000000 ] - [ 0.0005634100000000, -0.0016263100000000, -0.0015395600000000 ] - [ -0.0014038500000000, -0.0014505400000000, 0.0010480300000000 ] - [ 0.0090846900000000, 0.0024364100000000, 0.0015758700000000 ] - [ -0.0003838300000000, 0.0002347400000000, 0.0004559000000000 ] - [ -0.0000321500000000, -0.0003501100000000, 0.0003544500000000 ] - [ 0.0006207600000000, 0.0010562000000000, -0.0004639300000000 ] - [ 0.0000827200000000, 0.0003574800000000, 0.0003213800000000 ] - [ -0.0000329300000000, -0.0005222700000000, 0.0006334600000000 ] - [ 0.0001599700000000, 0.0005865300000000, -0.0008230500000000 ] - [ -0.0002616000000000, 0.0001379900000000, -0.0002216400000000 ] - [ 0.0040207800000000, 0.0027446300000000, 0.0055858000000000 ] - [ -0.0000342500000000, -0.0001522000000000, 0.0005696400000000 ] - [ -0.0000828700000000, -0.0003866600000000, -0.0000875700000000 ] - [ 0.0001962600000000, -0.0199158000000000, 0.0068748600000000 ] - [ 0.0000679500000000, -0.0001475200000000, 0.0005373000000000 ] - [ -0.0003844600000000, -0.0031205300000000, -0.0016106500000000 ] - [ 0.0002308200000000, 0.0002166500000000, 0.0008166200000000 ] - [ -0.0002809500000000, 0.0003988400000000, 0.0000112700000000 ] - [ -0.0003429000000000, 0.0001296700000000, 0.0002262300000000 ] - [ -0.0007458200000000, -0.0005817000000000, -0.0010363100000000 ] - [ -0.0005605800000000, -0.0003847200000000, 0.0005243600000000 ] - [ 0.0023550400000000, -0.0101663200000000, -0.0041696100000000 ] - [ -0.0025467900000000, 0.0003844200000000, -0.0015422800000000 ] - [ -0.0001648400000000, 0.0002324200000000, 0.0004711000000000 ] - [ -0.0002317800000000, -0.0001613600000000, -0.0000469200000000 ] - [ 0.0003177100000000, -0.0001788100000000, 0.0006633800000000 ] - [ 0.0004555000000000, -0.0002917000000000, 0.0001712300000000 ] - [ 0.0005226700000000, 0.0002186200000000, 0.0013343600000000 ] - [ 0.0007332500000000, -0.0002964300000000, -0.0003324100000000 ] - [ 0.0002436400000000, 0.0001800800000000, 0.0005418300000000 ] - [ 0.0002593900000000, -0.0008625500000000, -0.0000332700000000 ] - [ 0.0000729100000000, 0.0000372600000000, 0.0009148000000000 ] - [ -0.0003020600000000, 0.0001336200000000, -0.0004859000000000 ] - [ 0.0001482000000000, 0.0009575600000000, 0.0004389000000000 ] - [ -0.0002156900000000, 0.0006784600000000, 0.0003298100000000 ] - [ 0.0000312300000000, -0.0003373900000000, 0.0003365900000000 ] - [ 0.0003974600000000, -0.0008021800000000, 0.0002430600000000 ] - [ 0.0009609700000000, 0.0000368400000000, -0.0003503400000000 ] - [ -0.0003581900000000, -0.0004380100000000, 0.0008149500000000 ] - [ 0.0010467700000000, -0.0016812000000000, 0.0024821600000000 ] - [ -0.0072623000000000, -0.0126165800000000, 0.0152424900000000 ] - [ 0.0000480000000000, -0.0006350700000000, 0.0003159300000000 ] - [ -0.0004928300000000, 0.0004452800000000, 0.0013563900000000 ] - [ 0.0007130700000000, 0.0014425400000000, -0.0018705000000000 ] - [ -0.0006465300000000, 0.0003926700000000, -0.0013256800000000 ] - [ -0.0007491600000000, -0.0000969700000000, 0.0004140900000000 ] - [ -0.0008890600000000, 0.0002772900000000, 0.0004981500000000 ] - [ 0.0000670600000000, -0.0003966800000000, 0.0002618900000000 ] - [ 0.0006085600000000, -0.0004911600000000, 0.0003378100000000 ]- atom: 63 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ -0.0007321800000000, -0.0002150800000000, -0.0015517600000000 ] - [ 0.0001987200000000, -0.0004904100000000, -0.0010936100000000 ] - [ 0.0007457900000000, -0.0002698900000000, -0.0015508000000000 ] - [ -0.0004113300000000, -0.0005377200000000, -0.0010929700000000 ] - [ 0.0012899900000000, -0.0016117000000000, 0.0024413200000000 ] - [ -0.0005012900000000, -0.0005294000000000, -0.0007718100000000 ] - [ -0.0002665800000000, -0.0005659100000000, -0.0007213100000000 ] - [ 0.0001932400000000, -0.0001533400000000, -0.0012976800000000 ] - [ 0.0046372600000000, -0.0003516000000000, 0.0065937000000000 ] - [ 0.0017285200000000, -0.0034417600000000, -0.0032959400000000 ] - [ -0.0022656400000000, -0.0003170500000000, 0.0009079300000000 ] - [ 0.0008036600000000, 0.0014357800000000, 0.0012024700000000 ] - [ 0.0003775300000000, -0.0000861500000000, 0.0002514200000000 ] - [ -0.0001206000000000, -0.0007321500000000, -0.0010560100000000 ] - [ 0.0001628200000000, -0.0002163800000000, -0.0010859200000000 ] - [ 0.0002211300000000, -0.0001170300000000, -0.0009587000000000 ] - [ 0.0099275600000000, 0.0016205400000000, -0.0021275300000000 ] - [ 0.0004936800000000, 0.0001141200000000, 0.0017399100000000 ] - [ 0.0004309300000000, 0.0008837500000000, 0.0004343200000000 ] - [ -0.0004732500000000, 0.0001680800000000, 0.0032984700000000 ] - [ 0.0009648000000000, -0.0007172400000000, -0.0014240900000000 ] - [ 0.0001616600000000, -0.0008857100000000, -0.0010154600000000 ] - [ -0.0008700200000000, -0.0003229800000000, -0.0016962500000000 ] - [ 0.0003473100000000, 0.0000122200000000, -0.0014345800000000 ] - [ -0.0001662500000000, -0.0008308900000000, 0.0031250200000000 ] - [ 0.0002470300000000, 0.0006050400000000, -0.0018866500000000 ] - [ 0.0000562400000000, 0.0001771700000000, -0.0008818200000000 ] - [ -0.0002517900000000, -0.0005684200000000, -0.0008968500000000 ] - [ 0.0009356300000000, 0.0051251900000000, -0.0042996800000000 ] - [ -0.0027697300000000, -0.0031804400000000, -0.0006040300000000 ] - [ -0.0027218100000000, 0.0034260600000000, -0.0023889300000000 ] - [ -0.0003484100000000, 0.0016249000000000, 0.0017323400000000 ] - [ 0.0003255600000000, -0.0004426600000000, -0.0016000400000000 ] - [ -0.0001726600000000, 0.0066033900000000, -0.0033209700000000 ] - [ -0.0007772200000000, 0.0003305600000000, 0.0002074400000000 ] - [ -0.0005795700000000, -0.0001149900000000, -0.0005975500000000 ] - [ -0.0007165400000000, 0.0008783900000000, -0.0026481400000000 ] - [ 0.0017825200000000, -0.0000895100000000, -0.0017594100000000 ] - [ 0.0003957600000000, 0.0009167100000000, 0.0071181100000000 ] - [ -0.0004266100000000, -0.0003157800000000, -0.0022839000000000 ] - [ -0.0162290600000000, -0.1093097200000000, 0.1340466200000000 ] - [ 0.0010550900000000, 0.0009585600000000, -0.0008063000000000 ] - [ -0.0009145900000000, -0.0021338800000000, 0.0035721200000000 ] - [ -0.0002922300000000, -0.0003755200000000, -0.0012661000000000 ] - [ -0.0006960000000000, -0.0007272100000000, -0.0055906100000000 ] - [ 0.0016194800000000, -0.0009482900000000, -0.0008937500000000 ] - [ -0.0001255000000000, 0.0014952100000000, 0.0045401100000000 ] - [ -0.0000052600000000, 0.0003522200000000, -0.0037070600000000 ] - [ 0.0000408600000000, -0.0003773100000000, 0.0004123600000000 ] - [ 0.0012086500000000, -0.0018514200000000, -0.0016050800000000 ] - [ 0.0010435300000000, 0.0001349600000000, 0.0035088500000000 ] - [ -0.0124501000000000, -0.0133866800000000, 0.0149513700000000 ] - [ -0.0000794000000000, -0.0001180300000000, 0.0002571200000000 ] - [ 0.0001556000000000, 0.0019461300000000, 0.0007444700000000 ] - [ 0.0005646500000000, -0.0000761900000000, 0.0002239800000000 ] - [ -0.0070226000000000, 0.0054860900000000, -0.0074445000000000 ] - [ 0.0000208500000000, 0.0000054400000000, 0.0007766700000000 ] - [ 0.0003619300000000, -0.0001341400000000, 0.0003894800000000 ] - [ -0.0001413400000000, 0.0002806400000000, 0.0010267400000000 ] - [ -0.0007609200000000, -0.0002044300000000, 0.0002374600000000 ] - [ -0.0003785700000000, 0.0000176600000000, 0.0013175500000000 ] - [ -0.0002386500000000, -0.0009811000000000, 0.0012394200000000 ] - [ 0.0199610700000000, 0.1377488300000000, -0.1606001500000000 ] - [ -0.0001510000000000, 0.0004877700000000, 0.0006246100000000 ] - [ -0.0006715100000000, 0.0003399100000000, 0.0004551500000000 ] - [ -0.0004855400000000, -0.0001392000000000, -0.0010269300000000 ] - [ 0.0002766300000000, -0.0011719400000000, 0.0005162300000000 ] - [ 0.0004375200000000, -0.0006592200000000, 0.0016441900000000 ] - [ -0.0026170200000000, 0.0035857000000000, 0.0062965000000000 ] - [ 0.0004897100000000, -0.0001177500000000, -0.0010945200000000 ] - [ 0.0005111300000000, 0.0002781300000000, -0.0001541700000000 ] - [ -0.0002068600000000, -0.0016099300000000, -0.0014708100000000 ] - [ -0.0015764900000000, -0.0009015300000000, 0.0011831700000000 ] - [ 0.0041059300000000, 0.0008364200000000, -0.0020916100000000 ] - [ -0.0004726400000000, 0.0001546600000000, 0.0008737600000000 ] - [ -0.0002002500000000, -0.0002498900000000, 0.0006030200000000 ] - [ 0.0007628600000000, -0.0001355400000000, -0.0021170700000000 ] - [ -0.0000597700000000, 0.0004181400000000, 0.0006529900000000 ] - [ -0.0000674500000000, -0.0006875900000000, 0.0011146700000000 ] - [ -0.0005905000000000, 0.0007484200000000, -0.0006483400000000 ] - [ 0.0005168200000000, 0.0001324100000000, 0.0010163600000000 ] - [ 0.0075423000000000, -0.0062700200000000, 0.0078117300000000 ] - [ -0.0000282500000000, -0.0001224600000000, 0.0009922600000000 ] - [ 0.0000722300000000, -0.0005294300000000, 0.0003782600000000 ] - [ 0.0019244500000000, -0.0033367700000000, -0.0062316300000000 ] - [ -0.0000769300000000, -0.0002606800000000, 0.0008117400000000 ] - [ 0.0014768500000000, -0.0003513800000000, -0.0020859400000000 ] - [ 0.0002893400000000, 0.0004791000000000, 0.0015726200000000 ] - [ 0.0001310400000000, 0.0005205100000000, 0.0002318600000000 ] - [ -0.0003847400000000, 0.0003269700000000, 0.0006751600000000 ] - [ -0.0009491000000000, -0.0011374100000000, -0.0018181400000000 ] - [ -0.0012489600000000, -0.0003692700000000, 0.0011818800000000 ] - [ 0.0008060900000000, -0.0012118100000000, -0.0030490600000000 ] - [ 0.0001519600000000, 0.0003808000000000, -0.0023182700000000 ] - [ -0.0003086300000000, 0.0002250800000000, 0.0009782000000000 ] - [ -0.0001663300000000, -0.0001691200000000, 0.0005430600000000 ] - [ 0.0002610300000000, -0.0004765500000000, 0.0011961500000000 ] - [ 0.0005520000000000, -0.0000973000000000, 0.0000920800000000 ] - [ 0.0006857500000000, 0.0002709100000000, 0.0018404200000000 ] - [ -0.0024858500000000, -0.0005958500000000, -0.0015528700000000 ] - [ 0.0001540700000000, 0.0002078200000000, 0.0008273400000000 ] - [ 0.0002444300000000, -0.0007141000000000, 0.0005145400000000 ] - [ 0.0000869200000000, 0.0002138900000000, 0.0013369100000000 ] - [ -0.0002404400000000, 0.0001072700000000, -0.0000717000000000 ] - [ -0.0010758300000000, 0.0001793600000000, 0.0002284900000000 ] - [ -0.0001106500000000, -0.0002874000000000, 0.0015840300000000 ] - [ 0.0000947200000000, -0.0003577400000000, 0.0007899800000000 ] - [ -0.0000348700000000, 0.0006954500000000, -0.0009142800000000 ] - [ 0.0015894300000000, 0.0004039900000000, -0.0023971200000000 ] - [ -0.0003452500000000, -0.0007854800000000, 0.0013373100000000 ] - [ 0.0012199800000000, -0.0013009400000000, 0.0027348000000000 ] - [ -0.0049431600000000, -0.0149502800000000, 0.0138782600000000 ] - [ 0.0002470400000000, -0.0006277600000000, 0.0008430700000000 ] - [ -0.0003400100000000, 0.0004327100000000, 0.0020766400000000 ] - [ -0.0008900800000000, 0.0025786600000000, -0.0019300800000000 ] - [ -0.0009222900000000, 0.0005303000000000, -0.0019919300000000 ] - [ -0.0005889600000000, 0.0008636400000000, 0.0018964800000000 ] - [ -0.0014286800000000, 0.0001401600000000, 0.0009466100000000 ] - [ -0.0003913500000000, -0.0002776500000000, 0.0008022200000000 ] - [ 0.0008758300000000, -0.0002556900000000, 0.0008408400000000 ]- atom: 63 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ 0.0005897500000000, -0.0002828300000000, 0.0014852300000000 ] - [ 0.0000191400000000, -0.0002223000000000, 0.0015765000000000 ] - [ -0.0002175600000000, -0.0006882300000000, 0.0009637600000000 ] - [ -0.0003140600000000, -0.0003052000000000, 0.0004939900000000 ] - [ -0.0010638400000000, 0.0023193400000000, -0.0019517400000000 ] - [ 0.0002110800000000, -0.0006621700000000, 0.0017720400000000 ] - [ -0.0002682900000000, -0.0003911400000000, 0.0012989900000000 ] - [ -0.0000396900000000, -0.0003449300000000, 0.0013754200000000 ] - [ -0.0048639600000000, 0.0019693400000000, -0.0063698500000000 ] - [ -0.0018658400000000, 0.0031061400000000, 0.0029618500000000 ] - [ 0.0019834900000000, 0.0015023700000000, 0.0000747700000000 ] - [ -0.0000926000000000, -0.0005823700000000, -0.0006096800000000 ] - [ -0.0005918000000000, 0.0007951700000000, -0.0007333700000000 ] - [ -0.0001011500000000, -0.0009090200000000, 0.0012148800000000 ] - [ 0.0000761300000000, -0.0004148100000000, 0.0004502300000000 ] - [ 0.0005039300000000, -0.0007260700000000, 0.0015508300000000 ] - [ -0.0096576200000000, -0.0010865300000000, 0.0021342700000000 ] - [ -0.0007395800000000, 0.0005163300000000, -0.0011024200000000 ] - [ -0.0005813600000000, -0.0003803100000000, -0.0005118300000000 ] - [ 0.0006149800000000, -0.0004822800000000, -0.0030064500000000 ] - [ -0.0006777000000000, -0.0004724600000000, 0.0004185000000000 ] - [ 0.0000602000000000, -0.0007528900000000, 0.0008531800000000 ] - [ 0.0006480000000000, -0.0003906100000000, 0.0011919600000000 ] - [ -0.0004891600000000, 0.0002906500000000, 0.0011263700000000 ] - [ -0.0003079300000000, 0.0017272100000000, -0.0024589200000000 ] - [ 0.0000423900000000, 0.0005845100000000, 0.0008833200000000 ] - [ 0.0000877600000000, 0.0001239800000000, 0.0011920500000000 ] - [ 0.0000119700000000, -0.0000642700000000, 0.0015263800000000 ] - [ -0.0004083100000000, -0.0041223700000000, 0.0036847000000000 ] - [ 0.0030018200000000, 0.0037905800000000, -0.0000101800000000 ] - [ 0.0019932700000000, -0.0025561700000000, 0.0017848200000000 ] - [ 0.0005681200000000, 0.0000105100000000, -0.0018676600000000 ] - [ 0.0005023900000000, -0.0003638900000000, 0.0022401400000000 ] - [ -0.0017678700000000, -0.0059668900000000, 0.0031579500000000 ] - [ 0.0005943100000000, -0.0000147500000000, 0.0007805800000000 ] - [ 0.0003925700000000, -0.0002002700000000, 0.0015956600000000 ] - [ -0.0009308200000000, 0.0009828100000000, 0.0010107800000000 ] - [ 0.0001562100000000, 0.0007345900000000, 0.0019083000000000 ] - [ -0.0012213400000000, -0.0001167200000000, -0.0077175300000000 ] - [ -0.0004006300000000, -0.0004906900000000, 0.0016374000000000 ] - [ 0.0186101100000000, 0.1022892200000000, -0.1288880900000000 ] - [ 0.0005910900000000, 0.0009034300000000, 0.0024375700000000 ] - [ -0.0007583600000000, 0.0002692100000000, -0.0051732800000000 ] - [ -0.0016409800000000, -0.0002726100000000, 0.0011076500000000 ] - [ 0.0026432200000000, 0.0000760000000000, 0.0057525200000000 ] - [ -0.0014430700000000, 0.0006306000000000, -0.0001143400000000 ] - [ 0.0009673700000000, -0.0006897000000000, -0.0038962800000000 ] - [ 0.0001865100000000, -0.0000345000000000, 0.0026990800000000 ] - [ -0.0005794300000000, -0.0000975600000000, -0.0004054500000000 ] - [ -0.0000123200000000, 0.0017616500000000, 0.0010253900000000 ] - [ -0.0003161200000000, 0.0000326000000000, -0.0023999100000000 ] - [ 0.0123077900000000, 0.0125736800000000, -0.0145865200000000 ] - [ -0.0006415900000000, -0.0000500800000000, -0.0013502600000000 ] - [ 0.0000078200000000, -0.0014704600000000, -0.0010049000000000 ] - [ -0.0000910300000000, -0.0000804000000000, -0.0004108700000000 ] - [ 0.0073659300000000, -0.0041920200000000, 0.0083817300000000 ] - [ -0.0000798700000000, -0.0005810400000000, -0.0009962300000000 ] - [ 0.0008355200000000, 0.0002359200000000, -0.0009761100000000 ] - [ 0.0003375900000000, 0.0002262300000000, -0.0010083600000000 ] - [ -0.0002365400000000, -0.0004263100000000, -0.0002543800000000 ] - [ 0.0011062100000000, -0.0001848500000000, -0.0002209300000000 ] - [ -0.0002711200000000, -0.0007583900000000, -0.0003205700000000 ] - [ -0.0215023500000000, -0.1321531500000000, 0.1565146800000000 ] - [ 0.0003448400000000, 0.0000424600000000, -0.0007534600000000 ] - [ 0.0001586800000000, 0.0002182500000000, -0.0006058700000000 ] - [ 0.0013015800000000, -0.0002278700000000, 0.0027611900000000 ] - [ -0.0001408100000000, 0.0016605700000000, -0.0002495400000000 ] - [ -0.0000645800000000, -0.0006492600000000, -0.0007249800000000 ] - [ 0.0022125300000000, -0.0032542300000000, -0.0074571500000000 ] - [ -0.0012142600000000, 0.0002869500000000, 0.0000063800000000 ] - [ 0.0004901100000000, 0.0003491700000000, 0.0001827700000000 ] - [ 0.0009032000000000, 0.0016508900000000, 0.0018134100000000 ] - [ 0.0020973400000000, 0.0014654600000000, -0.0010348500000000 ] - [ -0.0041913400000000, -0.0003426100000000, 0.0018399300000000 ] - [ 0.0000179700000000, 0.0004435100000000, -0.0007530000000000 ] - [ 0.0003627400000000, -0.0002124100000000, -0.0008600700000000 ] - [ -0.0009158000000000, 0.0005485900000000, 0.0012029800000000 ] - [ 0.0005138500000000, 0.0001804600000000, -0.0007717400000000 ] - [ 0.0001241900000000, 0.0001095300000000, -0.0008906900000000 ] - [ 0.0011308600000000, -0.0002729600000000, 0.0006471200000000 ] - [ -0.0010330700000000, -0.0006919600000000, -0.0011712700000000 ] - [ -0.0082219500000000, 0.0057938900000000, -0.0093738100000000 ] - [ -0.0001327500000000, -0.0003390000000000, -0.0007319900000000 ] - [ -0.0002290500000000, 0.0001157000000000, -0.0012826500000000 ] - [ -0.0024273100000000, 0.0050502900000000, 0.0070858200000000 ] - [ 0.0002088200000000, -0.0002363600000000, -0.0005340800000000 ] - [ -0.0010346900000000, -0.0002524500000000, 0.0019591400000000 ] - [ 0.0002492200000000, -0.0009499600000000, -0.0015708400000000 ] - [ -0.0006681500000000, -0.0000467100000000, -0.0002305300000000 ] - [ -0.0003110600000000, -0.0003817700000000, -0.0010288500000000 ] - [ 0.0010113500000000, 0.0017129000000000, 0.0020361200000000 ] - [ 0.0010465100000000, -0.0001637400000000, -0.0010435100000000 ] - [ -0.0009814100000000, 0.0006802700000000, 0.0030118100000000 ] - [ -0.0002947300000000, 0.0000911500000000, 0.0025738800000000 ] - [ 0.0001107700000000, 0.0002816800000000, -0.0009936400000000 ] - [ -0.0002793000000000, -0.0002151100000000, -0.0016102400000000 ] - [ 0.0004356100000000, 0.0004213200000000, -0.0008412500000000 ] - [ -0.0000777000000000, 0.0002546400000000, -0.0002850800000000 ] - [ 0.0001289200000000, 0.0000959300000000, -0.0000952200000000 ] - [ 0.0020209800000000, -0.0000033200000000, 0.0016614700000000 ] - [ 0.0002906100000000, 0.0001768700000000, 0.0002419600000000 ] - [ 0.0002653700000000, -0.0010260000000000, -0.0014320000000000 ] - [ 0.0000690700000000, -0.0006232700000000, -0.0004289300000000 ] - [ -0.0005719500000000, 0.0002597400000000, -0.0016690000000000 ] - [ 0.0006014300000000, -0.0000181800000000, -0.0000286900000000 ] - [ -0.0000843600000000, 0.0008184400000000, -0.0014557500000000 ] - [ -0.0002244800000000, -0.0001400200000000, -0.0010638300000000 ] - [ 0.0001880600000000, -0.0002820600000000, 0.0018182800000000 ] - [ -0.0016367700000000, 0.0001668400000000, 0.0021731800000000 ] - [ -0.0001304700000000, 0.0006247300000000, -0.0011424100000000 ] - [ -0.0007814300000000, 0.0009239200000000, -0.0016776500000000 ] - [ 0.0052170100000000, 0.0146265700000000, -0.0142130700000000 ] - [ -0.0006214700000000, -0.0006796600000000, -0.0017609200000000 ] - [ -0.0006577200000000, 0.0001973100000000, -0.0020947300000000 ] - [ 0.0013973500000000, -0.0008283400000000, 0.0010001500000000 ] - [ 0.0005433600000000, 0.0007781300000000, 0.0010669900000000 ] - [ -0.0006125000000000, -0.0007665800000000, -0.0013145300000000 ] - [ 0.0002264100000000, -0.0002385000000000, -0.0003567000000000 ] - [ 0.0009019300000000, -0.0002793500000000, -0.0006498100000000 ] - [ 0.0001256300000000, -0.0003753300000000, -0.0008176300000000 ]- atom: 64 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ -0.0005158700000000, 0.0000733900000000, -0.0002266900000000 ] - [ 0.0013995500000000, 0.0002925100000000, -0.0011929300000000 ] - [ 0.0002343700000000, -0.0005150200000000, 0.0002333300000000 ] - [ 0.0000865800000000, -0.0001636700000000, -0.0000797900000000 ] - [ 0.0000115700000000, 0.0003377300000000, 0.0003818600000000 ] - [ -0.0010304400000000, 0.0003471400000000, -0.0007717700000000 ] - [ 0.0341154400000000, -0.0013708500000000, -0.0116880500000000 ] - [ 0.0298852900000000, 0.0155615700000000, 0.0095730600000000 ] - [ 0.0000890400000000, 0.0008575400000000, 0.0003227700000000 ] - [ 0.0004828400000000, 0.0004504600000000, 0.0010706300000000 ] - [ -0.0000939900000000, 0.0006096300000000, 0.0007010700000000 ] - [ 0.0004747000000000, 0.0004631100000000, 0.0004461900000000 ] - [ 0.0003460500000000, -0.0009878600000000, -0.0010365600000000 ] - [ -0.0010311700000000, -0.0002186900000000, 0.0008994400000000 ] - [ 0.0008302700000000, -0.0009208100000000, -0.0005313400000000 ] - [ -0.0041325000000000, -0.0002133000000000, 0.0004117700000000 ] - [ -0.0000483600000000, 0.0002703000000000, 0.0001756800000000 ] - [ 0.0000067800000000, 0.0002602200000000, 0.0004173600000000 ] - [ 0.0006323700000000, 0.0012564000000000, -0.0014437500000000 ] - [ 0.0000841800000000, -0.0001642300000000, 0.0003989000000000 ] - [ 0.0001731900000000, -0.0005665600000000, -0.0001669000000000 ] - [ 0.0016636700000000, -0.0006673500000000, 0.0007773500000000 ] - [ -0.0004708700000000, -0.0005762900000000, -0.0005430800000000 ] - [ -0.0001539900000000, 0.0001145500000000, 0.0004214200000000 ] - [ -0.0002607400000000, 0.0004741800000000, 0.0005338800000000 ] - [ -0.0060809900000000, -0.0011401400000000, 0.0027690600000000 ] - [ 0.0017126400000000, -0.0029467500000000, 0.0009522500000000 ] - [ -0.0019948300000000, -0.0003939900000000, -0.0001292700000000 ] - [ 0.0006230800000000, 0.0003074100000000, 0.0005965700000000 ] - [ -0.0014107300000000, 0.0001970400000000, -0.0008880300000000 ] - [ -0.0016337700000000, 0.0010294200000000, -0.0005787300000000 ] - [ -0.0002034900000000, 0.0006222900000000, 0.0006337800000000 ] - [ 0.0012867000000000, 0.0036156700000000, -0.0049378600000000 ] - [ -0.0011818100000000, 0.0003142800000000, 0.0001058300000000 ] - [ 0.0000702400000000, 0.0001994900000000, 0.0005458000000000 ] - [ -0.0080059800000000, 0.0022059900000000, -0.0084489100000000 ] - [ -0.0049370400000000, 0.0010586700000000, 0.0002267800000000 ] - [ 0.0053513000000000, 0.0014566600000000, 0.0014691400000000 ] - [ -0.0004282300000000, 0.0003451100000000, -0.0004470200000000 ] - [ -0.0007456800000000, -0.0009928500000000, -0.0010478300000000 ] - [ 0.0005450000000000, -0.0009100600000000, 0.0013390700000000 ] - [ 0.0006902400000000, 0.0023268700000000, 0.0025529900000000 ] - [ -0.0003066400000000, -0.0009520100000000, -0.0004657300000000 ] - [ 0.0449342800000000, -0.0215307700000000, -0.0164596400000000 ] - [ 0.0007897100000000, -0.0003844600000000, 0.0003485500000000 ] - [ 0.0001442600000000, -0.0001581600000000, -0.0000977300000000 ] - [ -0.0001246600000000, 0.0003267800000000, -0.0000130900000000 ] - [ -0.0016000100000000, -0.0022838000000000, 0.0014741100000000 ] - [ -0.0003860900000000, -0.0002033800000000, 0.0000717900000000 ] - [ 0.0006976000000000, -0.0000736400000000, -0.0004001000000000 ] - [ 0.0003232900000000, 0.0001951800000000, -0.0001059700000000 ] - [ 0.0001179000000000, -0.0002962100000000, -0.0004149600000000 ] - [ 0.0152481500000000, 0.0116380100000000, 0.0082805500000000 ] - [ 0.0017320400000000, -0.0003955400000000, -0.0018993600000000 ] - [ 0.0001268400000000, -0.0001430300000000, -0.0000643700000000 ] - [ 0.0003054800000000, 0.0006506400000000, 0.0004572400000000 ] - [ -0.0001493600000000, -0.0003546500000000, 0.0001137800000000 ] - [ -0.0079696200000000, 0.0015891300000000, 0.0009108500000000 ] - [ 0.0004243800000000, 0.0000281400000000, -0.0006614400000000 ] - [ -0.0005719600000000, -0.0002921500000000, -0.0002733900000000 ] - [ 0.0003107500000000, -0.0000876000000000, 0.0002374300000000 ] - [ -0.0006167100000000, -0.0020414200000000, 0.0003554600000000 ] - [ -0.0002789800000000, 0.0001026000000000, -0.0004192500000000 ] - [ -0.1283456200000000, 0.0046960500000000, 0.0299133300000000 ] - [ -0.0016923500000000, -0.0004325700000000, 0.0004588000000000 ] - [ 0.0001888200000000, -0.0001570700000000, 0.0006965900000000 ] - [ 0.0011110500000000, 0.0006151500000000, -0.0004730500000000 ] - [ -0.0005498700000000, -0.0013301800000000, 0.0003500200000000 ] - [ -0.0002118000000000, 0.0001984200000000, -0.0007041300000000 ] - [ -0.0004042000000000, 0.0000729800000000, -0.0006670400000000 ] - [ 0.0003529700000000, 0.0003093000000000, -0.0001140000000000 ] - [ -0.0000586000000000, -0.0000898500000000, -0.0000429100000000 ] - [ 0.0004246700000000, 0.0002729100000000, -0.0000561000000000 ] - [ -0.0001423800000000, 0.0002278600000000, -0.0002907800000000 ] - [ 0.0006171400000000, 0.0001388000000000, 0.0000371400000000 ] - [ -0.0002860500000000, -0.0001906400000000, -0.0004363200000000 ] - [ -0.0001972500000000, 0.0004204400000000, -0.0002375200000000 ] - [ -0.0011820800000000, 0.0000165800000000, 0.0012399800000000 ] - [ 0.0063710900000000, -0.0034314900000000, 0.0059827200000000 ] - [ 0.0002401200000000, 0.0003110400000000, -0.0001663900000000 ] - [ -0.0001249700000000, -0.0002642600000000, -0.0001616000000000 ] - [ -0.0001701200000000, -0.0003098500000000, -0.0010970900000000 ] - [ 0.0007820000000000, 0.0002834500000000, 0.0000001600000000 ] - [ -0.0001135200000000, 0.0001281000000000, 0.0000228100000000 ] - [ -0.0002009600000000, 0.0008744200000000, 0.0001772700000000 ] - [ -0.0001547100000000, -0.0003102900000000, -0.0001829000000000 ] - [ 0.0008483700000000, -0.0002634800000000, -0.0001626300000000 ] - [ 0.0011168600000000, -0.0001537200000000, 0.0005033400000000 ] - [ 0.0008599100000000, 0.0013069900000000, 0.0027435100000000 ] - [ -0.0027009500000000, -0.0074175200000000, -0.0070846400000000 ] - [ 0.0001281800000000, 0.0002818300000000, 0.0001056300000000 ] - [ -0.0016240700000000, -0.0001546400000000, -0.0003678800000000 ] - [ -0.0002227700000000, -0.0002298800000000, -0.0003054700000000 ] - [ -0.0001677900000000, 0.0002501900000000, -0.0000163700000000 ] - [ 0.0030055400000000, 0.0018372500000000, -0.0035731500000000 ] - [ -0.0023866200000000, 0.0049143500000000, -0.0028456900000000 ] - [ 0.0013595500000000, 0.0004319200000000, -0.0005893100000000 ] - [ 0.0016022700000000, -0.0008045000000000, 0.0016663500000000 ] - [ 0.0024500600000000, -0.0000961900000000, 0.0010018500000000 ] - [ -0.0004284100000000, -0.0002902700000000, 0.0000921600000000 ] - [ -0.0042998500000000, 0.0050905500000000, 0.0061962700000000 ] - [ 0.0009794500000000, -0.0009825300000000, -0.0009496200000000 ] - [ 0.0002975000000000, -0.0013002800000000, 0.0010924900000000 ] - [ -0.0012871800000000, -0.0001252000000000, -0.0021325200000000 ] - [ -0.0002481800000000, 0.0000100000000000, -0.0000501800000000 ] - [ 0.0000821700000000, 0.0003780600000000, -0.0001572500000000 ] - [ 0.0028297700000000, -0.0006593300000000, -0.0013242700000000 ] - [ 0.0001972700000000, 0.0001881900000000, 0.0005151300000000 ] - [ -0.0000211000000000, 0.0000682700000000, 0.0001519000000000 ] - [ 0.0038902800000000, 0.0027806400000000, -0.0010069700000000 ] - [ 0.0003641800000000, -0.0001942300000000, 0.0005774100000000 ] - [ 0.0001902100000000, -0.0002308700000000, -0.0001704700000000 ] - [ 0.0005946200000000, -0.0013308900000000, 0.0010749600000000 ] - [ 0.0014010700000000, 0.0005382700000000, -0.0005045200000000 ] - [ -0.0000494200000000, 0.0009792300000000, -0.0006510600000000 ] - [ 0.0000553100000000, 0.0005778100000000, 0.0003640700000000 ] - [ -0.0004147300000000, 0.0000297900000000, 0.0001338100000000 ] - [ -0.0019465300000000, 0.0003611100000000, -0.0004464400000000 ] - [ 0.0118269500000000, -0.0144348100000000, -0.0138530200000000 ] - [ 0.0058794900000000, -0.0010383000000000, 0.0009514100000000 ]- atom: 64 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ 0.0003714100000000, -0.0005711000000000, 0.0001576700000000 ] - [ -0.0011443600000000, -0.0010143700000000, 0.0016988500000000 ] - [ 0.0002948700000000, -0.0004428200000000, -0.0008226900000000 ] - [ -0.0008134000000000, -0.0006793900000000, -0.0005142600000000 ] - [ 0.0002138100000000, 0.0003755900000000, 0.0001172800000000 ] - [ 0.0007371400000000, -0.0015470000000000, 0.0017791900000000 ] - [ -0.0367977200000000, 0.0006593900000000, 0.0136259200000000 ] - [ -0.0287840100000000, -0.0149026600000000, -0.0087868300000000 ] - [ -0.0003110500000000, 0.0007798100000000, -0.0001657200000000 ] - [ -0.0006174900000000, -0.0007519500000000, -0.0013820900000000 ] - [ -0.0001967300000000, 0.0005801800000000, 0.0002986800000000 ] - [ 0.0002514300000000, 0.0003793700000000, 0.0001434500000000 ] - [ -0.0005850900000000, 0.0016745800000000, 0.0005302100000000 ] - [ 0.0008074300000000, -0.0014258400000000, -0.0007421000000000 ] - [ -0.0005929400000000, 0.0002884700000000, -0.0001025700000000 ] - [ 0.0048552300000000, -0.0006269000000000, 0.0001838700000000 ] - [ 0.0001937700000000, 0.0002285600000000, -0.0001129200000000 ] - [ -0.0002448400000000, 0.0003732300000000, 0.0002116800000000 ] - [ -0.0008031300000000, -0.0007384700000000, 0.0013551000000000 ] - [ 0.0000551300000000, -0.0001388200000000, -0.0000938100000000 ] - [ 0.0001176000000000, -0.0006229200000000, -0.0008381200000000 ] - [ -0.0014441600000000, -0.0009671000000000, -0.0009381100000000 ] - [ 0.0002448900000000, -0.0001369500000000, 0.0000378700000000 ] - [ 0.0000145500000000, 0.0001883300000000, -0.0007323000000000 ] - [ -0.0002704800000000, 0.0004846300000000, 0.0000492100000000 ] - [ 0.0063725700000000, 0.0023299900000000, -0.0037645100000000 ] - [ -0.0016106600000000, 0.0032612700000000, -0.0006277800000000 ] - [ 0.0017595200000000, -0.0002353000000000, 0.0007611500000000 ] - [ -0.0000797200000000, 0.0006505000000000, -0.0011746800000000 ] - [ 0.0016499900000000, 0.0004349500000000, 0.0002592400000000 ] - [ 0.0009075600000000, -0.0001857100000000, -0.0000084100000000 ] - [ 0.0004261100000000, 0.0010199800000000, -0.0007931400000000 ] - [ -0.0004520100000000, -0.0043998400000000, 0.0055677800000000 ] - [ -0.0007526800000000, 0.0003337400000000, -0.0002668300000000 ] - [ -0.0002560700000000, 0.0001146700000000, 0.0004482000000000 ] - [ 0.0078253800000000, -0.0025343000000000, 0.0095007500000000 ] - [ 0.0032952300000000, 0.0007973300000000, -0.0018638500000000 ] - [ -0.0034399300000000, -0.0008249800000000, -0.0013138400000000 ] - [ -0.0004032200000000, 0.0004589800000000, -0.0001983300000000 ] - [ -0.0000687600000000, 0.0001841800000000, 0.0004117700000000 ] - [ 0.0011023800000000, -0.0009521100000000, 0.0002965200000000 ] - [ 0.0009433700000000, -0.0004609500000000, -0.0009018300000000 ] - [ -0.0013350200000000, -0.0009093200000000, -0.0011768800000000 ] - [ -0.0473700700000000, 0.0214931900000000, 0.0167421600000000 ] - [ 0.0011469300000000, -0.0002623000000000, -0.0001968900000000 ] - [ 0.0000411100000000, -0.0001557100000000, -0.0009059300000000 ] - [ 0.0009483400000000, 0.0004764600000000, 0.0006455200000000 ] - [ 0.0017988900000000, 0.0025732400000000, -0.0024568400000000 ] - [ -0.0001498800000000, -0.0002667200000000, -0.0000730400000000 ] - [ 0.0005031300000000, -0.0000266500000000, -0.0001821300000000 ] - [ 0.0003858100000000, -0.0000241900000000, 0.0011847700000000 ] - [ 0.0000739300000000, -0.0002108500000000, 0.0004348500000000 ] - [ -0.0161835600000000, -0.0120131200000000, -0.0094422000000000 ] - [ -0.0015689200000000, 0.0008579200000000, 0.0016372800000000 ] - [ 0.0003485500000000, -0.0000175800000000, -0.0001296700000000 ] - [ 0.0000702500000000, 0.0006556400000000, 0.0004561300000000 ] - [ 0.0000880600000000, -0.0002221900000000, -0.0003321200000000 ] - [ 0.0091818300000000, -0.0013900300000000, -0.0014883400000000 ] - [ -0.0002355600000000, 0.0004841300000000, 0.0006880200000000 ] - [ -0.0004201400000000, -0.0003367300000000, 0.0002512000000000 ] - [ 0.0004090700000000, -0.0000797100000000, 0.0008526800000000 ] - [ 0.0001093200000000, 0.0003204700000000, 0.0005512900000000 ] - [ -0.0004201800000000, -0.0000441600000000, 0.0000651300000000 ] - [ 0.1301698700000000, -0.0058781100000000, -0.0324250500000000 ] - [ 0.0011851000000000, 0.0009993300000000, -0.0006153800000000 ] - [ 0.0006226900000000, -0.0002097200000000, 0.0010441400000000 ] - [ -0.0009828300000000, -0.0001199700000000, 0.0007464000000000 ] - [ 0.0009202900000000, 0.0000083000000000, 0.0005373200000000 ] - [ -0.0002305000000000, 0.0001841200000000, -0.0003598500000000 ] - [ -0.0003136200000000, 0.0000944800000000, -0.0004163200000000 ] - [ 0.0006375200000000, 0.0003189400000000, 0.0001411300000000 ] - [ 0.0007529700000000, 0.0001483700000000, 0.0004018100000000 ] - [ 0.0000926000000000, 0.0002837000000000, 0.0002094800000000 ] - [ 0.0000118200000000, 0.0002697500000000, 0.0000171100000000 ] - [ -0.0010703700000000, 0.0004637900000000, 0.0000801300000000 ] - [ 0.0004494300000000, -0.0002715100000000, 0.0001820300000000 ] - [ 0.0000438900000000, -0.0000050100000000, -0.0006625000000000 ] - [ 0.0016281300000000, 0.0005810900000000, -0.0013550300000000 ] - [ -0.0062541200000000, 0.0028342800000000, -0.0057106900000000 ] - [ 0.0002948500000000, 0.0001575400000000, 0.0001729500000000 ] - [ -0.0003945900000000, -0.0002923100000000, 0.0000119500000000 ] - [ -0.0006419000000000, -0.0000559800000000, -0.0006419300000000 ] - [ -0.0009418400000000, -0.0007485600000000, 0.0002570400000000 ] - [ -0.0000445500000000, -0.0005407500000000, -0.0009229900000000 ] - [ -0.0003111300000000, 0.0008615900000000, 0.0007389600000000 ] - [ 0.0002860500000000, -0.0001868800000000, 0.0004608000000000 ] - [ -0.0003955800000000, -0.0003361300000000, 0.0000452100000000 ] - [ -0.0005883600000000, -0.0003116900000000, -0.0005009100000000 ] - [ -0.0013831600000000, -0.0008478400000000, -0.0027766200000000 ] - [ 0.0020317500000000, 0.0073703100000000, 0.0067448800000000 ] - [ -0.0000681900000000, 0.0002971400000000, 0.0001153600000000 ] - [ 0.0014276800000000, -0.0003827600000000, 0.0005040400000000 ] - [ 0.0000268500000000, -0.0002776300000000, 0.0002883400000000 ] - [ 0.0000043100000000, 0.0002121200000000, 0.0002752700000000 ] - [ -0.0032262000000000, -0.0013503700000000, 0.0035882000000000 ] - [ 0.0019328300000000, -0.0052693800000000, 0.0017825500000000 ] - [ -0.0006656400000000, -0.0004945000000000, 0.0009515400000000 ] - [ -0.0011227000000000, 0.0009672900000000, -0.0018770500000000 ] - [ -0.0016380600000000, 0.0004597300000000, 0.0007400900000000 ] - [ -0.0000215100000000, -0.0003094800000000, 0.0000257900000000 ] - [ 0.0047924300000000, -0.0046659100000000, -0.0051183000000000 ] - [ -0.0004677600000000, -0.0007515500000000, 0.0000362700000000 ] - [ -0.0001479200000000, 0.0008753800000000, -0.0001967500000000 ] - [ 0.0004795200000000, 0.0004955900000000, 0.0003992900000000 ] - [ -0.0002285100000000, 0.0001530200000000, 0.0002487900000000 ] - [ -0.0002759700000000, 0.0001520900000000, 0.0002845500000000 ] - [ -0.0029773800000000, 0.0001601400000000, 0.0010793400000000 ] - [ -0.0000391700000000, 0.0002249500000000, 0.0003890200000000 ] - [ -0.0000347500000000, 0.0005090600000000, -0.0003711000000000 ] - [ -0.0043139000000000, -0.0029024000000000, 0.0011787600000000 ] - [ 0.0000794200000000, -0.0001881000000000, 0.0004923400000000 ] - [ 0.0000023300000000, -0.0003003000000000, 0.0000477400000000 ] - [ -0.0009686200000000, 0.0000193600000000, -0.0019795400000000 ] - [ -0.0023855500000000, 0.0000959300000000, 0.0004719500000000 ] - [ 0.0005587200000000, 0.0007578000000000, -0.0002614600000000 ] - [ -0.0004204300000000, 0.0007254900000000, -0.0012615600000000 ] - [ -0.0007862400000000, 0.0000718900000000, 0.0004523700000000 ] - [ 0.0007384300000000, -0.0004477300000000, 0.0010295800000000 ] - [ -0.0111104500000000, 0.0136368500000000, 0.0138006100000000 ] - [ -0.0049107500000000, 0.0004150800000000, -0.0009347100000000 ]- atom: 64 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001853800000000, -0.0003530100000000, -0.0004113900000000 ] - [ 0.0046682500000000, -0.0068237700000000, 0.0025755100000000 ] - [ 0.0003563800000000, -0.0009688200000000, -0.0009430600000000 ] - [ -0.0005163900000000, -0.0009057100000000, -0.0009949400000000 ] - [ 0.0000156200000000, 0.0004863500000000, -0.0003501800000000 ] - [ 0.0007227700000000, -0.0018181000000000, 0.0010975200000000 ] - [ 0.0022419400000000, 0.0058354200000000, 0.0001353600000000 ] - [ 0.0160062400000000, 0.0124908600000000, 0.0102931300000000 ] - [ -0.0000613800000000, 0.0006578000000000, -0.0002686400000000 ] - [ -0.0002298300000000, -0.0014872600000000, -0.0004512200000000 ] - [ -0.0001623300000000, 0.0005667700000000, -0.0000248900000000 ] - [ 0.0004165200000000, 0.0003219200000000, -0.0003293500000000 ] - [ -0.0011318400000000, -0.0027617900000000, -0.0022102000000000 ] - [ 0.0007248800000000, -0.0013785300000000, 0.0001714400000000 ] - [ -0.0001724800000000, 0.0003495500000000, -0.0010592600000000 ] - [ 0.0000712700000000, 0.0013549600000000, 0.0020606300000000 ] - [ -0.0000176200000000, 0.0001327200000000, -0.0005491100000000 ] - [ -0.0000705000000000, 0.0005218700000000, -0.0001613500000000 ] - [ -0.0000735600000000, 0.0035438000000000, -0.0005358900000000 ] - [ 0.0000730900000000, -0.0001519500000000, -0.0003525000000000 ] - [ 0.0002005900000000, -0.0005671000000000, -0.0010137900000000 ] - [ 0.0002763100000000, -0.0007879200000000, 0.0002719500000000 ] - [ -0.0002249100000000, -0.0002006100000000, -0.0007175400000000 ] - [ 0.0001854100000000, 0.0004765100000000, -0.0008777800000000 ] - [ -0.0002527500000000, 0.0004978400000000, -0.0002169600000000 ] - [ 0.0036013000000000, 0.0021824100000000, -0.0027042600000000 ] - [ -0.0047875600000000, -0.0016600100000000, 0.0047701400000000 ] - [ -0.0000142400000000, -0.0006994700000000, 0.0009550300000000 ] - [ -0.0006073500000000, 0.0013664200000000, 0.0003938800000000 ] - [ 0.0003276700000000, -0.0002815100000000, -0.0007215400000000 ] - [ -0.0003261400000000, 0.0011570200000000, 0.0001044100000000 ] - [ 0.0001097300000000, 0.0011958600000000, -0.0006468300000000 ] - [ 0.0012312500000000, 0.0030760800000000, 0.0001894200000000 ] - [ -0.0008961400000000, 0.0003550800000000, -0.0008417900000000 ] - [ -0.0001208100000000, 0.0001671800000000, -0.0003284200000000 ] - [ -0.0025154200000000, 0.0017589100000000, -0.0019362900000000 ] - [ -0.0013677200000000, 0.0015489400000000, -0.0002880400000000 ] - [ 0.0024802900000000, -0.0067184000000000, 0.0075185800000000 ] - [ -0.0003155300000000, 0.0001071100000000, -0.0007170800000000 ] - [ -0.0014813600000000, -0.0008178700000000, -0.0013278200000000 ] - [ 0.0006559800000000, -0.0008937400000000, 0.0003707900000000 ] - [ 0.0005089700000000, -0.0056674200000000, -0.0029079900000000 ] - [ -0.0005574300000000, -0.0009807800000000, -0.0019676100000000 ] - [ -0.0247950100000000, 0.1384886300000000, 0.0766596000000000 ] - [ 0.0010358000000000, -0.0002959800000000, -0.0007470400000000 ] - [ 0.0001392500000000, -0.0001756400000000, -0.0015145200000000 ] - [ -0.0001013400000000, 0.0003370600000000, -0.0011159400000000 ] - [ -0.0009143400000000, -0.0023906600000000, 0.0011292500000000 ] - [ -0.0002370700000000, -0.0004620700000000, 0.0004167100000000 ] - [ 0.0005729000000000, 0.0000793600000000, 0.0000845000000000 ] - [ 0.0004958100000000, 0.0007157200000000, -0.0005088200000000 ] - [ 0.0002048500000000, -0.0001454600000000, 0.0000204300000000 ] - [ 0.0068519300000000, 0.0003361300000000, 0.0012267000000000 ] - [ -0.0005906800000000, 0.0009137600000000, 0.0011612300000000 ] - [ 0.0002058900000000, 0.0000938600000000, 0.0002762000000000 ] - [ 0.0002845000000000, 0.0006763600000000, 0.0008435200000000 ] - [ 0.0002508100000000, 0.0000687800000000, 0.0001549800000000 ] - [ 0.0002118700000000, 0.0242830800000000, -0.0009582300000000 ] - [ -0.0016231100000000, 0.0016279000000000, 0.0020471300000000 ] - [ -0.0005708600000000, -0.0003627200000000, 0.0006217400000000 ] - [ 0.0005303600000000, -0.0000607800000000, 0.0012706100000000 ] - [ -0.0000080200000000, 0.0029336700000000, -0.0010135300000000 ] - [ -0.0003075300000000, -0.0000064900000000, 0.0000788000000000 ] - [ 0.0040334100000000, -0.2039920200000000, -0.1136281000000000 ] - [ -0.0006978000000000, 0.0022352100000000, -0.0012289000000000 ] - [ 0.0004204900000000, -0.0002178700000000, 0.0013264800000000 ] - [ -0.0001887800000000, -0.0005674500000000, 0.0004894000000000 ] - [ 0.0011732100000000, -0.0002522300000000, 0.0005759100000000 ] - [ -0.0000920700000000, 0.0001964800000000, -0.0000330900000000 ] - [ -0.0002168100000000, 0.0001008800000000, -0.0000469800000000 ] - [ 0.0004821200000000, 0.0002486900000000, 0.0004475100000000 ] - [ 0.0001560800000000, -0.0003791100000000, 0.0007118400000000 ] - [ 0.0000560500000000, 0.0002715500000000, 0.0004104000000000 ] - [ -0.0000615200000000, 0.0002970000000000, 0.0002637700000000 ] - [ 0.0000875000000000, 0.0006639100000000, -0.0000568300000000 ] - [ -0.0000082200000000, -0.0005472900000000, 0.0002160100000000 ] - [ -0.0001624400000000, 0.0005859300000000, -0.0002424900000000 ] - [ 0.0001613800000000, -0.0005041300000000, -0.0001404000000000 ] - [ 0.0031831800000000, -0.0029528300000000, 0.0019086300000000 ] - [ 0.0002399700000000, 0.0000100100000000, 0.0005340400000000 ] - [ -0.0003520900000000, -0.0002641400000000, 0.0002459500000000 ] - [ -0.0003196100000000, 0.0000447500000000, -0.0007277000000000 ] - [ 0.0003744900000000, 0.0009142100000000, -0.0005542600000000 ] - [ 0.0001876800000000, -0.0003301000000000, -0.0000828300000000 ] - [ -0.0002090300000000, 0.0008127200000000, 0.0007702400000000 ] - [ 0.0000113000000000, -0.0001044100000000, 0.0003959300000000 ] - [ 0.0002155700000000, -0.0003840500000000, 0.0003678300000000 ] - [ 0.0003411700000000, 0.0009236900000000, -0.0002985900000000 ] - [ 0.0006027600000000, 0.0005756800000000, 0.0003471800000000 ] - [ -0.0052464500000000, 0.0123398700000000, 0.0139790500000000 ] - [ 0.0000415300000000, 0.0006093800000000, 0.0007385900000000 ] - [ 0.0000190400000000, 0.0002344300000000, -0.0034206900000000 ] - [ -0.0001433300000000, -0.0002588700000000, 0.0005114100000000 ] - [ -0.0001028900000000, 0.0001619500000000, 0.0004500000000000 ] - [ 0.0003808400000000, -0.0005035200000000, -0.0013166600000000 ] - [ 0.0003412500000000, 0.0167199200000000, -0.0057000100000000 ] - [ 0.0003792400000000, 0.0000899800000000, 0.0000868900000000 ] - [ 0.0006369900000000, -0.0014218500000000, 0.0000304000000000 ] - [ 0.0007176900000000, -0.0003759800000000, 0.0004025500000000 ] - [ -0.0004184600000000, -0.0002187100000000, 0.0002482700000000 ] - [ 0.0042584900000000, 0.0015309400000000, 0.0096199000000000 ] - [ 0.0002763500000000, -0.0014375700000000, -0.0004091100000000 ] - [ -0.0010240400000000, -0.0010721700000000, -0.0010053400000000 ] - [ 0.0004295800000000, 0.0013613600000000, 0.0010691100000000 ] - [ -0.0002892900000000, 0.0002900200000000, 0.0005503400000000 ] - [ -0.0002127100000000, 0.0001919500000000, 0.0004477200000000 ] - [ -0.0020980600000000, -0.0005752100000000, -0.0003512000000000 ] - [ 0.0001766900000000, -0.0002433700000000, 0.0010808700000000 ] - [ -0.0002254800000000, 0.0001389700000000, -0.0000682700000000 ] - [ 0.0021529000000000, 0.0012292200000000, -0.0011699400000000 ] - [ 0.0003542900000000, -0.0001846700000000, 0.0009448900000000 ] - [ 0.0000649200000000, -0.0004063400000000, 0.0003049300000000 ] - [ -0.0000846900000000, -0.0012088700000000, -0.0000992500000000 ] - [ -0.0001865500000000, 0.0005894100000000, -0.0009083700000000 ] - [ 0.0002004400000000, 0.0010176800000000, -0.0000300900000000 ] - [ 0.0006496500000000, 0.0004509200000000, 0.0014113700000000 ] - [ -0.0006801800000000, 0.0001262800000000, 0.0006474800000000 ] - [ -0.0010636400000000, 0.0033043700000000, -0.0012545000000000 ] - [ -0.0099341700000000, 0.0004054000000000, 0.0065270900000000 ] - [ 0.0007902500000000, -0.0011521400000000, -0.0004738100000000 ]- atom: 64 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000422200000000, -0.0001448200000000, 0.0003485700000000 ] - [ -0.0045298200000000, 0.0061447700000000, -0.0021272900000000 ] - [ 0.0001728200000000, 0.0000026400000000, 0.0003511200000000 ] - [ -0.0002082700000000, 0.0000564500000000, 0.0004010300000000 ] - [ 0.0002090500000000, 0.0002301500000000, 0.0008583600000000 ] - [ -0.0010051400000000, 0.0006415200000000, -0.0001064900000000 ] - [ -0.0026355700000000, -0.0068285100000000, 0.0004086500000000 ] - [ -0.0148797600000000, -0.0124596800000000, -0.0096611000000000 ] - [ -0.0001543500000000, 0.0009832200000000, 0.0004334100000000 ] - [ 0.0000805800000000, 0.0011821300000000, 0.0001354700000000 ] - [ -0.0001323000000000, 0.0006197300000000, 0.0010301000000000 ] - [ 0.0003076100000000, 0.0005279700000000, 0.0009281700000000 ] - [ 0.0009294700000000, 0.0034954300000000, 0.0017319600000000 ] - [ -0.0009378000000000, -0.0002530800000000, -0.0000061600000000 ] - [ 0.0004113900000000, -0.0009705500000000, 0.0004329800000000 ] - [ 0.0006605600000000, -0.0022110000000000, -0.0014826600000000 ] - [ 0.0001603800000000, 0.0003638300000000, 0.0006196100000000 ] - [ -0.0001683800000000, 0.0001043400000000, 0.0007974200000000 ] - [ -0.0000672000000000, -0.0030643100000000, 0.0004549000000000 ] - [ 0.0000666800000000, -0.0001580100000000, 0.0006716300000000 ] - [ 0.0000945100000000, -0.0006198700000000, 0.0000161200000000 ] - [ -0.0000596700000000, -0.0008644400000000, -0.0004275300000000 ] - [ 0.0000002400000000, -0.0005138400000000, 0.0002174400000000 ] - [ -0.0003242700000000, -0.0001598400000000, 0.0005661800000000 ] - [ -0.0002744900000000, 0.0004641900000000, 0.0008145600000000 ] - [ -0.0033366900000000, -0.0010044500000000, 0.0017173700000000 ] - [ 0.0050036200000000, 0.0019503800000000, -0.0044939900000000 ] - [ -0.0002261100000000, 0.0000679000000000, -0.0003295100000000 ] - [ 0.0011365900000000, -0.0004077800000000, -0.0009818400000000 ] - [ -0.0000890700000000, 0.0009099900000000, 0.0000878800000000 ] - [ -0.0003986500000000, -0.0003070900000000, -0.0007028800000000 ] - [ 0.0001050800000000, 0.0004462700000000, 0.0004860200000000 ] - [ -0.0004082500000000, -0.0039253500000000, 0.0004735500000000 ] - [ -0.0010261800000000, 0.0002988000000000, 0.0007101900000000 ] - [ -0.0000641500000000, 0.0001438500000000, 0.0013319400000000 ] - [ 0.0023232500000000, -0.0020695400000000, 0.0029079300000000 ] - [ -0.0002914700000000, 0.0003196900000000, -0.0013441300000000 ] - [ -0.0005778400000000, 0.0073860500000000, -0.0073477800000000 ] - [ -0.0005087900000000, 0.0006932500000000, 0.0000775800000000 ] - [ 0.0006549400000000, 0.0000262500000000, 0.0006843400000000 ] - [ 0.0009836300000000, -0.0009706200000000, 0.0012725800000000 ] - [ 0.0011289500000000, 0.0075946700000000, 0.0045814600000000 ] - [ -0.0010853100000000, -0.0008825700000000, 0.0003364400000000 ] - [ 0.0245149200000000, -0.1452136300000000, -0.0821052600000000 ] - [ 0.0008824600000000, -0.0003575800000000, 0.0008913800000000 ] - [ 0.0000499000000000, -0.0001357200000000, 0.0005236000000000 ] - [ 0.0009290600000000, 0.0004626100000000, 0.0017637900000000 ] - [ 0.0010967300000000, 0.0027317100000000, -0.0021374100000000 ] - [ -0.0002985400000000, -0.0000432800000000, -0.0004115000000000 ] - [ 0.0006242500000000, -0.0001683800000000, -0.0006745000000000 ] - [ 0.0002429700000000, -0.0005581100000000, 0.0016284000000000 ] - [ -0.0000009000000000, -0.0003613800000000, 0.0000012000000000 ] - [ -0.0076353700000000, -0.0004287000000000, -0.0023111700000000 ] - [ 0.0007556500000000, -0.0004529300000000, -0.0014127900000000 ] - [ 0.0002619100000000, -0.0002248100000000, -0.0004631400000000 ] - [ 0.0000866000000000, 0.0006258500000000, 0.0000609800000000 ] - [ -0.0003076100000000, -0.0006478500000000, -0.0003787000000000 ] - [ 0.0009912500000000, -0.0249339500000000, 0.0004106100000000 ] - [ 0.0018099400000000, -0.0011228200000000, -0.0020128200000000 ] - [ -0.0004724900000000, -0.0002489500000000, -0.0006243400000000 ] - [ 0.0001996500000000, -0.0001032700000000, -0.0001633100000000 ] - [ -0.0005085600000000, -0.0046893000000000, 0.0019556800000000 ] - [ -0.0003776200000000, 0.0000749000000000, -0.0004556800000000 ] - [ -0.0066664900000000, 0.2105485300000000, 0.1185315800000000 ] - [ 0.0002413400000000, -0.0016957100000000, 0.0010766200000000 ] - [ 0.0003836900000000, -0.0001517900000000, 0.0004050600000000 ] - [ 0.0003213000000000, 0.0010617900000000, -0.0002147400000000 ] - [ -0.0007879300000000, -0.0010568400000000, 0.0003408100000000 ] - [ -0.0003424000000000, 0.0001887300000000, -0.0010067800000000 ] - [ -0.0005220100000000, 0.0000622100000000, -0.0010785400000000 ] - [ 0.0005413900000000, 0.0003689500000000, -0.0004387600000000 ] - [ 0.0005318800000000, 0.0004464600000000, -0.0003424600000000 ] - [ 0.0003962000000000, 0.0002714300000000, -0.0002660600000000 ] - [ -0.0000668000000000, 0.0001958600000000, -0.0005418200000000 ] - [ -0.0005967900000000, -0.0000799500000000, 0.0001859000000000 ] - [ 0.0001681200000000, 0.0000850800000000, -0.0004663500000000 ] - [ -0.0000002100000000, -0.0001640100000000, -0.0006594600000000 ] - [ 0.0003423300000000, 0.0011001000000000, -0.0000011300000000 ] - [ -0.0031641500000000, 0.0024061500000000, -0.0017217500000000 ] - [ 0.0002973100000000, 0.0005049800000000, -0.0005497800000000 ] - [ -0.0000941300000000, -0.0002773900000000, -0.0003941800000000 ] - [ -0.0004880300000000, -0.0004142600000000, -0.0010110400000000 ] - [ -0.0005419000000000, -0.0013765200000000, 0.0008048500000000 ] - [ -0.0003480000000000, -0.0000958100000000, -0.0008202800000000 ] - [ -0.0003035500000000, 0.0009333100000000, 0.0001437800000000 ] - [ 0.0001160800000000, -0.0003854700000000, -0.0001212400000000 ] - [ 0.0002848400000000, -0.0002049100000000, -0.0004952100000000 ] - [ 0.0002030900000000, -0.0014388700000000, 0.0002904800000000 ] - [ -0.0011423800000000, -0.0000572000000000, -0.0003243700000000 ] - [ 0.0044943700000000, -0.0124009800000000, -0.0142600100000000 ] - [ 0.0000174600000000, -0.0000363000000000, -0.0005235000000000 ] - [ -0.0002098200000000, -0.0007776900000000, 0.0035434400000000 ] - [ -0.0000566300000000, -0.0002479100000000, -0.0005380600000000 ] - [ -0.0000547500000000, 0.0003002500000000, -0.0002073800000000 ] - [ -0.0005633100000000, 0.0010363300000000, 0.0012688900000000 ] - [ -0.0007158400000000, -0.0169795900000000, 0.0046361100000000 ] - [ 0.0003098400000000, -0.0001535400000000, 0.0002838400000000 ] - [ -0.0001733300000000, 0.0015517200000000, -0.0002056200000000 ] - [ 0.0000932700000000, 0.0007535600000000, 0.0013424400000000 ] - [ -0.0000867000000000, -0.0003690000000000, -0.0001224600000000 ] - [ -0.0039000000000000, -0.0011651200000000, -0.0087953600000000 ] - [ 0.0002400100000000, -0.0003180800000000, -0.0005127700000000 ] - [ 0.0011955100000000, 0.0006756000000000, 0.0019228200000000 ] - [ -0.0012307000000000, -0.0009953600000000, -0.0027999800000000 ] - [ -0.0001749800000000, -0.0001613900000000, -0.0003688300000000 ] - [ 0.0000166300000000, 0.0003488700000000, -0.0003170000000000 ] - [ 0.0019655900000000, 0.0000822400000000, 0.0000718600000000 ] - [ -0.0000173100000000, 0.0006644700000000, -0.0001810300000000 ] - [ 0.0001663100000000, 0.0004392600000000, -0.0001543400000000 ] - [ -0.0026241300000000, -0.0013712600000000, 0.0013714800000000 ] - [ 0.0000800400000000, -0.0001997800000000, 0.0000912200000000 ] - [ 0.0001313000000000, -0.0001300500000000, -0.0004411100000000 ] - [ -0.0002827000000000, -0.0000847700000000, -0.0008058000000000 ] - [ -0.0008453500000000, 0.0000215100000000, 0.0009056300000000 ] - [ 0.0003148100000000, 0.0007331000000000, -0.0008911700000000 ] - [ -0.0010232500000000, 0.0008514400000000, -0.0023247500000000 ] - [ -0.0005171000000000, -0.0000379300000000, -0.0000616100000000 ] - [ -0.0001335000000000, -0.0033943600000000, 0.0018274700000000 ] - [ 0.0106501100000000, -0.0009940400000000, -0.0065255300000000 ] - [ 0.0002451500000000, 0.0005414300000000, 0.0004874000000000 ]- atom: 64 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ 0.0001583300000000, -0.0002996900000000, -0.0009275000000000 ] - [ -0.0002365400000000, -0.0014932000000000, 0.0039789100000000 ] - [ 0.0004325200000000, -0.0004589600000000, -0.0016591600000000 ] - [ -0.0009009100000000, -0.0008337800000000, -0.0015907600000000 ] - [ -0.0000408700000000, 0.0005057800000000, -0.0010235000000000 ] - [ 0.0000755900000000, -0.0014673600000000, 0.0034218500000000 ] - [ -0.0294294500000000, 0.0023638400000000, 0.0172604000000000 ] - [ -0.0062480000000000, -0.0015147600000000, 0.0054915900000000 ] - [ -0.0001034400000000, 0.0006392700000000, -0.0010139800000000 ] - [ 0.0001771600000000, -0.0012531800000000, -0.0014067700000000 ] - [ -0.0001445000000000, 0.0005523000000000, -0.0006708500000000 ] - [ 0.0003368400000000, 0.0002461900000000, -0.0010371000000000 ] - [ -0.0025544600000000, -0.0029227500000000, -0.0026921400000000 ] - [ 0.0011515000000000, -0.0014798700000000, 0.0004812900000000 ] - [ -0.0005649100000000, -0.0000081400000000, -0.0016908100000000 ] - [ 0.0021654700000000, -0.0001348700000000, 0.0033429700000000 ] - [ -0.0000188300000000, 0.0001375500000000, -0.0012145200000000 ] - [ -0.0001453800000000, 0.0006140900000000, -0.0007772500000000 ] - [ -0.0025125300000000, 0.0022088600000000, -0.0024603000000000 ] - [ 0.0001192600000000, -0.0002267800000000, -0.0010246700000000 ] - [ 0.0002295900000000, -0.0005779500000000, -0.0018792800000000 ] - [ -0.0003184100000000, -0.0003354100000000, -0.0021275000000000 ] - [ -0.0001025900000000, -0.0002744200000000, -0.0011189700000000 ] - [ 0.0003138900000000, 0.0001318800000000, -0.0015647900000000 ] - [ -0.0002066300000000, 0.0006005000000000, -0.0008713600000000 ] - [ 0.0062118000000000, 0.0024819000000000, -0.0035784000000000 ] - [ -0.0007156400000000, 0.0019780900000000, 0.0027570100000000 ] - [ 0.0009583300000000, 0.0000736000000000, 0.0020694000000000 ] - [ 0.0012718000000000, 0.0011357800000000, -0.0013971300000000 ] - [ 0.0009632200000000, -0.0000092800000000, -0.0003377400000000 ] - [ 0.0000813400000000, 0.0007952800000000, 0.0001524900000000 ] - [ 0.0003017400000000, 0.0011694800000000, -0.0011150300000000 ] - [ -0.0021994100000000, 0.0010782200000000, 0.0013927200000000 ] - [ -0.0007235300000000, 0.0003721600000000, -0.0018514000000000 ] - [ -0.0002273200000000, 0.0002668400000000, -0.0013600400000000 ] - [ 0.0017420200000000, -0.0017454300000000, 0.0081873100000000 ] - [ 0.0036835700000000, 0.0005391200000000, -0.0016850900000000 ] - [ -0.0014057100000000, 0.0026315400000000, 0.0046693800000000 ] - [ -0.0005676600000000, 0.0003797900000000, -0.0016859800000000 ] - [ -0.0010993600000000, -0.0005521400000000, -0.0004538400000000 ] - [ 0.0011864200000000, -0.0009250100000000, -0.0005264600000000 ] - [ 0.0009360500000000, -0.0037338400000000, -0.0041310400000000 ] - [ -0.0005031600000000, -0.0011438500000000, -0.0032589700000000 ] - [ -0.0391561700000000, 0.0752633400000000, 0.0811501800000000 ] - [ 0.0011966800000000, -0.0002215500000000, -0.0016776900000000 ] - [ 0.0000856800000000, -0.0001141500000000, -0.0026181400000000 ] - [ -0.0003285900000000, 0.0002460200000000, -0.0019527100000000 ] - [ 0.0012437600000000, 0.0006958100000000, 0.0008440700000000 ] - [ -0.0000926800000000, -0.0006264200000000, 0.0009717200000000 ] - [ 0.0004735100000000, 0.0002508900000000, 0.0005439700000000 ] - [ -0.0004997200000000, 0.0002038300000000, -0.0004607200000000 ] - [ -0.0002303200000000, -0.0002791800000000, 0.0008076800000000 ] - [ -0.0074239200000000, -0.0061440000000000, -0.0097606500000000 ] - [ -0.0013134100000000, 0.0008778000000000, 0.0015846700000000 ] - [ 0.0002706900000000, 0.0001690300000000, 0.0006424000000000 ] - [ 0.0004147100000000, 0.0006406500000000, 0.0013922400000000 ] - [ 0.0002839400000000, -0.0000704300000000, 0.0001006800000000 ] - [ 0.0053635400000000, -0.0006305200000000, -0.0082376100000000 ] - [ -0.0016899800000000, 0.0011848200000000, 0.0021369300000000 ] - [ -0.0005269400000000, -0.0004563000000000, 0.0011587600000000 ] - [ 0.0006802100000000, -0.0000336700000000, 0.0019006600000000 ] - [ 0.0000294800000000, 0.0020343800000000, 0.0002142400000000 ] - [ -0.0004308500000000, -0.0002517100000000, 0.0005965000000000 ] - [ 0.0878656700000000, -0.1036632700000000, -0.1220613200000000 ] - [ 0.0013291900000000, 0.0004215900000000, -0.0018704600000000 ] - [ 0.0006560100000000, -0.0002227500000000, 0.0019856900000000 ] - [ -0.0008263300000000, -0.0003760700000000, 0.0007135700000000 ] - [ 0.0013027500000000, 0.0001193900000000, -0.0002051400000000 ] - [ 0.0000482700000000, 0.0001942200000000, 0.0005508200000000 ] - [ -0.0000294500000000, 0.0001145300000000, 0.0005974600000000 ] - [ 0.0005499900000000, 0.0001802000000000, 0.0010261500000000 ] - [ 0.0001178700000000, 0.0003114500000000, 0.0015833000000000 ] - [ -0.0001975300000000, 0.0002970800000000, 0.0008771500000000 ] - [ -0.0000281200000000, 0.0002925500000000, 0.0007890500000000 ] - [ -0.0003214100000000, 0.0005983100000000, -0.0002354600000000 ] - [ -0.0000173800000000, -0.0003199100000000, 0.0009765500000000 ] - [ 0.0001392400000000, 0.0003822300000000, -0.0001361000000000 ] - [ 0.0020749200000000, -0.0002034000000000, 0.0011125000000000 ] - [ 0.0019834400000000, -0.0005573700000000, -0.0011504200000000 ] - [ 0.0002637200000000, -0.0002319400000000, 0.0011107200000000 ] - [ -0.0006240900000000, -0.0002715500000000, 0.0006188600000000 ] - [ -0.0003887900000000, 0.0000273100000000, -0.0004157900000000 ] - [ -0.0006887500000000, -0.0003348000000000, -0.0010760500000000 ] - [ 0.0002732100000000, -0.0001473800000000, -0.0003416400000000 ] - [ -0.0002742500000000, 0.0009004900000000, 0.0012014400000000 ] - [ 0.0001338600000000, -0.0002796100000000, 0.0011752800000000 ] - [ 0.0000296900000000, -0.0003520100000000, 0.0005429300000000 ] - [ -0.0004613500000000, -0.0002030300000000, -0.0017473000000000 ] - [ 0.0006435800000000, -0.0004316800000000, -0.0025433200000000 ] - [ -0.0032198800000000, 0.0171463000000000, 0.0150970200000000 ] - [ 0.0000407200000000, 0.0007851800000000, 0.0011930000000000 ] - [ 0.0002054000000000, -0.0033926300000000, 0.0021722300000000 ] - [ -0.0003963100000000, -0.0002177200000000, 0.0011763100000000 ] - [ -0.0001363800000000, 0.0001432600000000, 0.0009356700000000 ] - [ -0.0051271700000000, -0.0023220500000000, 0.0036521300000000 ] - [ -0.0001669600000000, -0.0010525400000000, -0.0038254200000000 ] - [ -0.0008112100000000, -0.0006428600000000, 0.0012893700000000 ] - [ 0.0009849500000000, 0.0002575800000000, -0.0015923800000000 ] - [ -0.0007802200000000, -0.0001568800000000, -0.0000251900000000 ] - [ -0.0002832100000000, -0.0002306200000000, 0.0006942300000000 ] - [ 0.0073121200000000, 0.0089321000000000, 0.0093844800000000 ] - [ -0.0004507900000000, -0.0006252800000000, 0.0000084100000000 ] - [ 0.0001924200000000, -0.0009190000000000, -0.0009414600000000 ] - [ 0.0008573600000000, 0.0010716800000000, 0.0016610100000000 ] - [ -0.0003216900000000, 0.0004553900000000, 0.0010425500000000 ] - [ -0.0003763700000000, -0.0001267000000000, 0.0009523300000000 ] - [ -0.0018778600000000, -0.0006436100000000, -0.0006731700000000 ] - [ 0.0002485300000000, -0.0003958200000000, 0.0015034500000000 ] - [ 0.0002009400000000, 0.0000587800000000, 0.0002399900000000 ] - [ -0.0024044900000000, -0.0008709700000000, -0.0008915500000000 ] - [ 0.0004451900000000, -0.0001615000000000, 0.0015226800000000 ] - [ -0.0000417800000000, -0.0006107900000000, 0.0007699900000000 ] - [ 0.0000232500000000, -0.0007946800000000, -0.0003354000000000 ] - [ -0.0014272800000000, 0.0001597600000000, -0.0008314600000000 ] - [ 0.0001896800000000, 0.0009984400000000, 0.0005619300000000 ] - [ 0.0010359900000000, 0.0004178200000000, 0.0019394400000000 ] - [ -0.0008421800000000, 0.0003097200000000, 0.0010855800000000 ] - [ -0.0007913900000000, 0.0017663800000000, -0.0007269100000000 ] - [ -0.0131119100000000, 0.0125375000000000, 0.0074936800000000 ] - [ -0.0026002100000000, -0.0003709000000000, -0.0020211300000000 ]- atom: 64 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ -0.0003000900000000, -0.0001984200000000, 0.0008639500000000 ] - [ 0.0004733700000000, 0.0007805900000000, -0.0034803100000000 ] - [ 0.0000959200000000, -0.0005010300000000, 0.0010692500000000 ] - [ 0.0001733000000000, -0.0000134300000000, 0.0009990800000000 ] - [ 0.0002658000000000, 0.0002092200000000, 0.0015274800000000 ] - [ -0.0003670300000000, 0.0002778800000000, -0.0024199900000000 ] - [ 0.0267702200000000, -0.0030743300000000, -0.0158964300000000 ] - [ 0.0061657100000000, 0.0008964200000000, -0.0054480100000000 ] - [ -0.0001156900000000, 0.0010011200000000, 0.0011748300000000 ] - [ -0.0003204400000000, 0.0009540800000000, 0.0010920300000000 ] - [ -0.0001487700000000, 0.0006359300000000, 0.0016737200000000 ] - [ 0.0003881700000000, 0.0005992700000000, 0.0016325100000000 ] - [ 0.0023452100000000, 0.0036684200000000, 0.0022166200000000 ] - [ -0.0013664100000000, -0.0001601700000000, -0.0003122300000000 ] - [ 0.0008009600000000, -0.0006193000000000, 0.0010593600000000 ] - [ -0.0014367500000000, -0.0007174100000000, -0.0027569500000000 ] - [ 0.0001627900000000, 0.0003592800000000, 0.0012814800000000 ] - [ -0.0000940000000000, 0.0000144000000000, 0.0014102200000000 ] - [ 0.0023745400000000, -0.0017285300000000, 0.0023904300000000 ] - [ 0.0000201400000000, -0.0000799500000000, 0.0013357700000000 ] - [ 0.0000624900000000, -0.0006098300000000, 0.0008768700000000 ] - [ 0.0005327100000000, -0.0013012000000000, 0.0019605300000000 ] - [ -0.0001208100000000, -0.0004397600000000, 0.0006191400000000 ] - [ -0.0004523800000000, 0.0001754900000000, 0.0012537000000000 ] - [ -0.0003225100000000, 0.0003598500000000, 0.0014610700000000 ] - [ -0.0059537000000000, -0.0013059600000000, 0.0025989600000000 ] - [ 0.0008505700000000, -0.0016731400000000, -0.0024175100000000 ] - [ -0.0011984400000000, -0.0007022100000000, -0.0014374900000000 ] - [ -0.0007440100000000, -0.0001824900000000, 0.0008173800000000 ] - [ -0.0007243600000000, 0.0006400600000000, -0.0002955400000000 ] - [ -0.0008074300000000, 0.0000487500000000, -0.0007514800000000 ] - [ -0.0000838300000000, 0.0004721700000000, 0.0009542300000000 ] - [ 0.0030111800000000, -0.0019039700000000, -0.0007199600000000 ] - [ -0.0012026800000000, 0.0002777300000000, 0.0017038700000000 ] - [ 0.0000408300000000, 0.0000458400000000, 0.0023595100000000 ] - [ -0.0019333000000000, 0.0014372200000000, -0.0072391100000000 ] - [ -0.0053061100000000, 0.0013115000000000, 0.0000556700000000 ] - [ 0.0033254900000000, -0.0019886400000000, -0.0045960900000000 ] - [ -0.0002558500000000, 0.0004213600000000, 0.0010415900000000 ] - [ 0.0002686700000000, -0.0002469600000000, -0.0001820400000000 ] - [ 0.0004574000000000, -0.0009377800000000, 0.0021638400000000 ] - [ 0.0007127100000000, 0.0056053900000000, 0.0057803100000000 ] - [ -0.0011428400000000, -0.0007154500000000, 0.0016274800000000 ] - [ 0.0374324700000000, -0.0793295400000000, -0.0828106400000000 ] - [ 0.0007296500000000, -0.0004287000000000, 0.0018291500000000 ] - [ 0.0001002700000000, -0.0001984100000000, 0.0016215900000000 ] - [ 0.0011558200000000, 0.0005567200000000, 0.0025980500000000 ] - [ -0.0010538800000000, -0.0003680500000000, -0.0018537200000000 ] - [ -0.0004441900000000, 0.0001339800000000, -0.0009641200000000 ] - [ 0.0007240300000000, -0.0003458300000000, -0.0011327500000000 ] - [ 0.0012256500000000, -0.0000388900000000, 0.0015712100000000 ] - [ 0.0004342100000000, -0.0002267700000000, -0.0007901200000000 ] - [ 0.0067268400000000, 0.0059824400000000, 0.0086745900000000 ] - [ 0.0014767300000000, -0.0004172200000000, -0.0018422600000000 ] - [ 0.0002014300000000, -0.0003132600000000, -0.0008309800000000 ] - [ -0.0000444600000000, 0.0006643600000000, -0.0004804900000000 ] - [ -0.0003399900000000, -0.0005077500000000, -0.0003279000000000 ] - [ -0.0041714300000000, 0.0007358200000000, 0.0077086700000000 ] - [ 0.0018795800000000, -0.0006751900000000, -0.0021113200000000 ] - [ -0.0004865800000000, -0.0001687500000000, -0.0011752600000000 ] - [ 0.0000480200000000, -0.0001326000000000, -0.0007924300000000 ] - [ -0.0005380000000000, -0.0037581500000000, 0.0006984500000000 ] - [ -0.0002579600000000, 0.0003103400000000, -0.0009608700000000 ] - [ -0.0855828900000000, 0.1077747500000000, 0.1226691800000000 ] - [ -0.0018005700000000, 0.0001278000000000, 0.0017318900000000 ] - [ 0.0001551300000000, -0.0001465100000000, -0.0002443100000000 ] - [ 0.0009600600000000, 0.0008704500000000, -0.0004389500000000 ] - [ -0.0009288600000000, -0.0014158900000000, 0.0011197000000000 ] - [ -0.0004894800000000, 0.0001897900000000, -0.0016067000000000 ] - [ -0.0006974500000000, 0.0000527400000000, -0.0017037400000000 ] - [ 0.0004682500000000, 0.0004443700000000, -0.0010111500000000 ] - [ 0.0005730400000000, -0.0002535000000000, -0.0012250200000000 ] - [ 0.0006728200000000, 0.0002528300000000, -0.0007276500000000 ] - [ -0.0001026700000000, 0.0002012200000000, -0.0010641900000000 ] - [ -0.0001606700000000, -0.0000069400000000, 0.0003587700000000 ] - [ 0.0001771000000000, -0.0001405600000000, -0.0012287200000000 ] - [ -0.0002954000000000, 0.0000333900000000, -0.0007671100000000 ] - [ -0.0015806900000000, 0.0007945800000000, -0.0012341300000000 ] - [ -0.0019616400000000, -0.0000019400000000, 0.0013402400000000 ] - [ 0.0002723500000000, 0.0007228800000000, -0.0011193200000000 ] - [ 0.0001501100000000, -0.0002781700000000, -0.0007690300000000 ] - [ -0.0004233800000000, -0.0003962700000000, -0.0013274600000000 ] - [ 0.0005307400000000, -0.0001263200000000, 0.0013250600000000 ] - [ -0.0004302000000000, -0.0002671600000000, -0.0005691200000000 ] - [ -0.0002364000000000, 0.0008446900000000, -0.0002846400000000 ] - [ -0.0000038900000000, -0.0002147800000000, -0.0009021800000000 ] - [ 0.0004514800000000, -0.0002392500000000, -0.0006695600000000 ] - [ 0.0009969100000000, -0.0002996900000000, 0.0017384700000000 ] - [ -0.0011901400000000, 0.0009211400000000, 0.0025558300000000 ] - [ 0.0024787400000000, -0.0169957300000000, -0.0152934400000000 ] - [ 0.0000168700000000, -0.0002073000000000, -0.0009705300000000 ] - [ -0.0004097200000000, 0.0029060600000000, -0.0020646000000000 ] - [ 0.0001949400000000, -0.0002882800000000, -0.0011951600000000 ] - [ -0.0000221900000000, 0.0003185600000000, -0.0006843000000000 ] - [ 0.0048678600000000, 0.0027876300000000, -0.0036176500000000 ] - [ -0.0002756700000000, 0.0006179500000000, 0.0028092300000000 ] - [ 0.0014914300000000, 0.0005810600000000, -0.0009199700000000 ] - [ -0.0005177600000000, -0.0001118600000000, 0.0014121800000000 ] - [ 0.0015847200000000, 0.0005285100000000, 0.0017672200000000 ] - [ -0.0002020700000000, -0.0003591000000000, -0.0005683800000000 ] - [ -0.0069963100000000, -0.0087331100000000, -0.0085425000000000 ] - [ 0.0009579600000000, -0.0011164200000000, -0.0009276900000000 ] - [ -0.0000356600000000, 0.0005099800000000, 0.0018469300000000 ] - [ -0.0016626700000000, -0.0007001100000000, -0.0033928000000000 ] - [ -0.0001493700000000, -0.0003117700000000, -0.0008560300000000 ] - [ 0.0001803500000000, 0.0006625100000000, -0.0008203400000000 ] - [ 0.0017608600000000, 0.0001214700000000, 0.0004167200000000 ] - [ -0.0000921500000000, 0.0008098900000000, -0.0005982200000000 ] - [ -0.0002591000000000, 0.0005226100000000, -0.0004653700000000 ] - [ 0.0019215000000000, 0.0007259500000000, 0.0010897400000000 ] - [ -0.0000034100000000, -0.0002223700000000, -0.0004658600000000 ] - [ 0.0002376300000000, 0.0000768100000000, -0.0009043800000000 ] - [ -0.0003959900000000, -0.0005061300000000, -0.0005873100000000 ] - [ 0.0004095600000000, 0.0004625300000000, 0.0008216500000000 ] - [ 0.0003205500000000, 0.0007405800000000, -0.0014790400000000 ] - [ -0.0014123700000000, 0.0008880700000000, -0.0028644200000000 ] - [ -0.0003566400000000, -0.0002141800000000, -0.0004976800000000 ] - [ -0.0004053400000000, -0.0018704100000000, 0.0013295200000000 ] - [ 0.0139199900000000, -0.0133829200000000, -0.0074456500000000 ] - [ 0.0036308300000000, -0.0002506400000000, 0.0020453700000000 ]- atom: 65 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ -0.0003705200000000, -0.0002535100000000, 0.0004473200000000 ] - [ -0.0022177500000000, -0.0044147700000000, -0.0038006500000000 ] - [ 0.0004063200000000, -0.0005647700000000, 0.0005013300000000 ] - [ -0.0002134300000000, -0.0004220100000000, 0.0001138800000000 ] - [ 0.0001073500000000, 0.0002301400000000, 0.0005301500000000 ] - [ 0.0363818500000000, 0.0146182700000000, -0.0435735600000000 ] - [ 0.0030035800000000, -0.0020630000000000, 0.0008188100000000 ] - [ -0.0017511700000000, 0.0038975900000000, -0.0040239400000000 ] - [ 0.0001317400000000, 0.0013326900000000, 0.0012900500000000 ] - [ -0.0065327100000000, -0.0001708400000000, 0.0030835900000000 ] - [ -0.0002127100000000, 0.0006772800000000, 0.0011092200000000 ] - [ 0.0007317100000000, 0.0006180800000000, 0.0009604600000000 ] - [ 0.0073920100000000, -0.0012064100000000, -0.0002307800000000 ] - [ -0.0006689200000000, -0.0013751600000000, 0.0030315900000000 ] - [ 0.0003062800000000, -0.0003742900000000, -0.0000938200000000 ] - [ -0.0025417000000000, -0.0010926100000000, -0.0005225900000000 ] - [ 0.0000141000000000, 0.0003869300000000, 0.0003141300000000 ] - [ 0.0002614800000000, -0.0000355900000000, 0.0007712300000000 ] - [ 0.0062582300000000, 0.0018007600000000, 0.0001803000000000 ] - [ -0.0001670000000000, -0.0002592800000000, 0.0007507500000000 ] - [ 0.0002133300000000, -0.0005954000000000, 0.0000402500000000 ] - [ 0.0005929200000000, -0.0008288800000000, 0.0002790300000000 ] - [ -0.0003636700000000, -0.0003549400000000, 0.0002055700000000 ] - [ 0.0001187100000000, 0.0002181200000000, 0.0006788200000000 ] - [ -0.0005501500000000, 0.0005556400000000, 0.0009491100000000 ] - [ -0.0016890900000000, 0.0003705800000000, -0.0013100800000000 ] - [ 0.0041422300000000, 0.0026632700000000, 0.0010911600000000 ] - [ -0.0040185300000000, 0.0004938500000000, 0.0001151200000000 ] - [ -0.0054779800000000, 0.0007918900000000, 0.0024867900000000 ] - [ -0.0015192200000000, 0.0008772800000000, -0.0022493400000000 ] - [ -0.0035662200000000, -0.0018541900000000, -0.0046510500000000 ] - [ -0.0005943000000000, 0.0006433000000000, -0.0002517800000000 ] - [ -0.0001041200000000, -0.0005326000000000, 0.0000587300000000 ] - [ -0.0011115000000000, 0.0002888300000000, 0.0006856000000000 ] - [ -0.0000856000000000, 0.0001268200000000, 0.0013424400000000 ] - [ -0.0004014100000000, -0.0004309200000000, 0.0018188900000000 ] - [ -0.0005661100000000, 0.0007715400000000, 0.0007565500000000 ] - [ 0.2833296200000000, -0.0156417000000000, -0.0429732200000000 ] - [ 0.0011162600000000, 0.0008827400000000, -0.0020773600000000 ] - [ -0.0032769000000000, -0.0005881600000000, -0.0011236800000000 ] - [ -0.0017155900000000, -0.0010457800000000, 0.0008642200000000 ] - [ 0.0026788900000000, 0.0009084100000000, 0.0010942700000000 ] - [ -0.0010679300000000, -0.0019660200000000, 0.0011369600000000 ] - [ -0.0001889700000000, -0.0012348800000000, -0.0023305900000000 ] - [ 0.0007352100000000, -0.0003418500000000, 0.0008568300000000 ] - [ 0.0003075200000000, -0.0001714900000000, 0.0002768900000000 ] - [ 0.0011289200000000, 0.0004021800000000, 0.0004103600000000 ] - [ -0.0144940200000000, 0.0008355600000000, 0.0012778900000000 ] - [ -0.0002970200000000, -0.0000755300000000, -0.0003886300000000 ] - [ 0.0007293800000000, -0.0001403700000000, -0.0006290800000000 ] - [ 0.0074470200000000, -0.0006610100000000, 0.0033130500000000 ] - [ 0.0018418100000000, -0.0003805700000000, -0.0012228400000000 ] - [ -0.0015000400000000, -0.0004136600000000, -0.0004770100000000 ] - [ 0.0019271800000000, 0.0005094100000000, -0.0000466100000000 ] - [ 0.0002487800000000, -0.0001956500000000, -0.0004353700000000 ] - [ 0.0001840400000000, 0.0005626500000000, 0.0006555200000000 ] - [ 0.0005206700000000, -0.0003050200000000, -0.0001538400000000 ] - [ -0.0009990500000000, 0.0014844300000000, 0.0008967500000000 ] - [ -0.0008344300000000, 0.0003063200000000, -0.0008415400000000 ] - [ -0.0006023400000000, -0.0002818100000000, -0.0004072700000000 ] - [ 0.0001462200000000, -0.0001057400000000, -0.0000144600000000 ] - [ -0.0013543800000000, -0.0008392600000000, 0.0004576200000000 ] - [ 0.0002314700000000, 0.0000916900000000, -0.0003481100000000 ] - [ -0.0013522900000000, -0.0002077500000000, 0.0009725800000000 ] - [ -0.3886120500000000, 0.0018224300000000, 0.1033866400000000 ] - [ -0.0003023400000000, 0.0001640000000000, -0.0002924400000000 ] - [ 0.0020675800000000, 0.0005297200000000, 0.0006932800000000 ] - [ 0.0016617800000000, -0.0006235400000000, 0.0032582300000000 ] - [ -0.0002934100000000, 0.0001859100000000, -0.0009178300000000 ] - [ -0.0004604000000000, 0.0000780500000000, -0.0011217100000000 ] - [ 0.0004499400000000, 0.0003755600000000, -0.0004832300000000 ] - [ 0.0005865500000000, -0.0016437800000000, -0.0017739100000000 ] - [ 0.0004056900000000, 0.0002789700000000, -0.0002247100000000 ] - [ -0.0000322200000000, 0.0001481900000000, -0.0008195500000000 ] - [ 0.0020563400000000, 0.0006207100000000, -0.0009456800000000 ] - [ -0.0001718700000000, -0.0001867600000000, -0.0004961200000000 ] - [ -0.0013049700000000, -0.0002109600000000, 0.0006368200000000 ] - [ 0.0001806100000000, 0.0002818500000000, -0.0000067700000000 ] - [ 0.0008242600000000, -0.0003685000000000, 0.0002816700000000 ] - [ 0.0001521900000000, 0.0004168300000000, -0.0003922100000000 ] - [ 0.0000510300000000, -0.0002984200000000, -0.0004193900000000 ] - [ 0.0006635700000000, -0.0003007200000000, 0.0001869200000000 ] - [ 0.0055940200000000, -0.0039640800000000, -0.0083083600000000 ] - [ 0.0004908500000000, -0.0001822100000000, -0.0003696000000000 ] - [ 0.0002541300000000, 0.0008366100000000, 0.0003505700000000 ] - [ -0.0001461400000000, -0.0002572300000000, -0.0002174800000000 ] - [ 0.0003500700000000, -0.0004333100000000, 0.0001593900000000 ] - [ 0.0049347300000000, 0.0000169000000000, 0.0001543800000000 ] - [ 0.0003677800000000, -0.0016947900000000, 0.0017907100000000 ] - [ -0.0019712400000000, -0.0000368900000000, -0.0001385500000000 ] - [ -0.0002091400000000, 0.0001217900000000, -0.0000089300000000 ] - [ 0.0114803900000000, -0.0107033000000000, -0.0093780500000000 ] - [ 0.0008938600000000, -0.0001009500000000, -0.0009115000000000 ] - [ -0.0000455400000000, 0.0002922300000000, -0.0003038000000000 ] - [ -0.0007053400000000, 0.0002591700000000, -0.0005314800000000 ] - [ 0.0175231500000000, -0.0014727200000000, 0.0116488600000000 ] - [ 0.0003328300000000, 0.0001582600000000, -0.0005610500000000 ] - [ 0.0001431900000000, 0.0031227300000000, 0.0013146000000000 ] - [ 0.0008162700000000, -0.0003491700000000, 0.0000677500000000 ] - [ -0.0013589000000000, -0.0003776900000000, -0.0000048200000000 ] - [ -0.0013026000000000, 0.0006671600000000, 0.0015035400000000 ] - [ 0.0001746500000000, -0.0005925800000000, -0.0015929800000000 ] - [ 0.0006389800000000, -0.0000702100000000, 0.0007378400000000 ] - [ -0.0008949900000000, 0.0001894400000000, -0.0011054000000000 ] - [ -0.0003120100000000, -0.0000635800000000, -0.0002154800000000 ] - [ 0.0000725600000000, 0.0004343500000000, -0.0003539500000000 ] - [ 0.0038695600000000, 0.0019450700000000, -0.0039161800000000 ] - [ -0.0001845200000000, 0.0004044900000000, 0.0004257600000000 ] - [ -0.0012567300000000, 0.0007248600000000, 0.0020272000000000 ] - [ 0.0048295900000000, -0.0005912100000000, -0.0003575900000000 ] - [ 0.0001828400000000, -0.0001956100000000, 0.0000734200000000 ] - [ 0.0002309600000000, -0.0001360000000000, -0.0004169400000000 ] - [ 0.0001551300000000, -0.0006324500000000, -0.0005973600000000 ] - [ 0.0188713900000000, 0.0010033300000000, 0.0014627600000000 ] - [ 0.0001770100000000, 0.0021036300000000, -0.0030758700000000 ] - [ -0.0011748400000000, 0.0007432500000000, -0.0004381800000000 ] - [ -0.0004112600000000, -0.0001108000000000, -0.0001471200000000 ] - [ 0.0168113300000000, 0.0119199900000000, -0.0127034300000000 ] - [ 0.0006918200000000, 0.0001276400000000, 0.0007459100000000 ] - [ 0.0019358100000000, -0.0002964900000000, 0.0001947600000000 ]- atom: 65 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ 0.0002234500000000, -0.0002444000000000, -0.0005090800000000 ] - [ 0.0024334000000000, 0.0036467300000000, 0.0042515500000000 ] - [ 0.0001242900000000, -0.0003931300000000, -0.0010794800000000 ] - [ -0.0005095400000000, -0.0004205500000000, -0.0007041700000000 ] - [ 0.0001166200000000, 0.0004818600000000, -0.0000262900000000 ] - [ -0.0385854000000000, -0.0165158700000000, 0.0469229900000000 ] - [ -0.0035210100000000, 0.0010911200000000, -0.0002305300000000 ] - [ 0.0019031300000000, -0.0043419500000000, 0.0040654700000000 ] - [ -0.0003492400000000, 0.0003104500000000, -0.0011200200000000 ] - [ 0.0063271700000000, -0.0001246300000000, -0.0033666800000000 ] - [ -0.0000774900000000, 0.0005135900000000, -0.0001010600000000 ] - [ -0.0000018600000000, 0.0002268500000000, -0.0003613000000000 ] - [ -0.0075332000000000, 0.0019550700000000, -0.0002963500000000 ] - [ 0.0004401800000000, -0.0002704200000000, -0.0028413400000000 ] - [ -0.0000637700000000, -0.0002575400000000, -0.0005362700000000 ] - [ 0.0032423500000000, 0.0002440800000000, 0.0011088100000000 ] - [ 0.0001288500000000, 0.0001121000000000, -0.0002467400000000 ] - [ -0.0004970100000000, 0.0006633700000000, -0.0001351300000000 ] - [ -0.0063524200000000, -0.0013101800000000, -0.0002753200000000 ] - [ 0.0003059500000000, -0.0000440800000000, -0.0004381800000000 ] - [ 0.0000773300000000, -0.0005949200000000, -0.0010382600000000 ] - [ -0.0003676100000000, -0.0008090800000000, -0.0004331000000000 ] - [ 0.0001370200000000, -0.0003588600000000, -0.0007039700000000 ] - [ -0.0002582100000000, 0.0000845800000000, -0.0009782900000000 ] - [ 0.0000185000000000, 0.0004021900000000, -0.0003578100000000 ] - [ 0.0019675000000000, 0.0008204200000000, 0.0002976900000000 ] - [ -0.0039848600000000, -0.0023285000000000, -0.0007532400000000 ] - [ 0.0037478800000000, -0.0011192500000000, 0.0005154500000000 ] - [ 0.0059662200000000, 0.0001634200000000, -0.0030452000000000 ] - [ 0.0017444200000000, -0.0002468700000000, 0.0016112200000000 ] - [ 0.0028332000000000, 0.0027058900000000, 0.0040537300000000 ] - [ 0.0008095200000000, 0.0009972400000000, 0.0000921900000000 ] - [ 0.0009365400000000, -0.0002740900000000, 0.0005828900000000 ] - [ -0.0008237200000000, 0.0003581400000000, -0.0008373800000000 ] - [ -0.0000989700000000, 0.0001873500000000, -0.0003368100000000 ] - [ 0.0002050100000000, 0.0001127000000000, -0.0008233000000000 ] - [ -0.0010851700000000, 0.0010867500000000, -0.0023780200000000 ] - [ -0.2643096900000000, 0.0149518400000000, 0.0400964100000000 ] - [ -0.0019366900000000, -0.0000823000000000, 0.0014054900000000 ] - [ 0.0024219100000000, -0.0002205600000000, 0.0004744300000000 ] - [ 0.0033464800000000, -0.0008147600000000, 0.0007758700000000 ] - [ -0.0010176200000000, 0.0009554800000000, 0.0005530000000000 ] - [ -0.0005773000000000, 0.0000962000000000, -0.0027578700000000 ] - [ -0.0017269000000000, 0.0005914000000000, 0.0021302300000000 ] - [ 0.0011972500000000, -0.0003058400000000, -0.0006927700000000 ] - [ -0.0001199700000000, -0.0001429500000000, -0.0012696000000000 ] - [ -0.0002988900000000, 0.0004062600000000, 0.0002320800000000 ] - [ 0.0145822800000000, -0.0005141200000000, -0.0022777000000000 ] - [ -0.0002416500000000, -0.0003993700000000, 0.0003915100000000 ] - [ 0.0004698900000000, 0.0000382700000000, 0.0000371400000000 ] - [ -0.0067010300000000, 0.0008282500000000, -0.0022174400000000 ] - [ -0.0016298000000000, -0.0001266700000000, 0.0012250700000000 ] - [ 0.0007762500000000, 0.0002434400000000, -0.0006131300000000 ] - [ -0.0017513800000000, -0.0000434200000000, -0.0002143300000000 ] - [ 0.0002262400000000, 0.0000405300000000, 0.0002438500000000 ] - [ 0.0001911800000000, 0.0007464400000000, 0.0002687300000000 ] - [ -0.0005743700000000, -0.0002707000000000, -0.0000682600000000 ] - [ 0.0021617100000000, -0.0013899600000000, -0.0014815800000000 ] - [ 0.0010324500000000, 0.0001999500000000, 0.0008483100000000 ] - [ -0.0004039600000000, -0.0003495100000000, 0.0003807100000000 ] - [ 0.0005758200000000, -0.0000628000000000, 0.0011092700000000 ] - [ 0.0008363900000000, -0.0009024300000000, 0.0004572100000000 ] - [ -0.0009219600000000, -0.0000375800000000, -0.0000093000000000 ] - [ 0.0015260600000000, 0.0007354000000000, -0.0010985300000000 ] - [ 0.3720409900000000, 0.0006819500000000, -0.1025691900000000 ] - [ 0.0011099400000000, -0.0005291300000000, 0.0020294100000000 ] - [ -0.0019222800000000, -0.0000337200000000, -0.0004190700000000 ] - [ -0.0012779000000000, -0.0006847100000000, -0.0023038000000000 ] - [ -0.0001524500000000, 0.0001985100000000, -0.0001570800000000 ] - [ -0.0002635800000000, 0.0000906900000000, 0.0000175800000000 ] - [ 0.0005540200000000, 0.0002569400000000, 0.0005023400000000 ] - [ 0.0001096400000000, 0.0016832900000000, 0.0021116600000000 ] - [ 0.0001012600000000, 0.0002787900000000, 0.0003745600000000 ] - [ -0.0000989200000000, 0.0003483400000000, 0.0005407700000000 ] - [ -0.0024942400000000, -0.0000205500000000, 0.0010596800000000 ] - [ 0.0003315900000000, -0.0002738700000000, 0.0002323200000000 ] - [ 0.0011502100000000, 0.0006169000000000, -0.0015266800000000 ] - [ 0.0002760200000000, 0.0003147100000000, -0.0001149600000000 ] - [ -0.0007643700000000, -0.0002125700000000, -0.0000535600000000 ] - [ 0.0003840900000000, 0.0000613100000000, 0.0003823000000000 ] - [ -0.0005539000000000, -0.0002596300000000, 0.0002639900000000 ] - [ -0.0014704100000000, -0.0000671000000000, -0.0019313800000000 ] - [ -0.0057457600000000, 0.0034985100000000, 0.0085979300000000 ] - [ -0.0006434000000000, -0.0002300700000000, -0.0005364400000000 ] - [ -0.0007587100000000, 0.0009023400000000, 0.0005651600000000 ] - [ 0.0002764400000000, -0.0002409000000000, 0.0004873000000000 ] - [ 0.0001100700000000, -0.0001651800000000, -0.0002804600000000 ] - [ -0.0043680400000000, -0.0004783500000000, -0.0001445100000000 ] - [ -0.0008911500000000, 0.0021697300000000, -0.0017838800000000 ] - [ 0.0012629600000000, -0.0000170900000000, -0.0002232700000000 ] - [ 0.0002647800000000, 0.0004541100000000, 0.0002347300000000 ] - [ -0.0114570900000000, 0.0098748500000000, 0.0092678200000000 ] - [ -0.0010843700000000, -0.0004042500000000, 0.0008887200000000 ] - [ -0.0001140100000000, 0.0001698200000000, 0.0005605400000000 ] - [ 0.0005046600000000, 0.0002469400000000, 0.0005091400000000 ] - [ -0.0175001900000000, 0.0010441200000000, -0.0123760300000000 ] - [ 0.0003637000000000, -0.0002083900000000, 0.0009096700000000 ] - [ 0.0003448200000000, -0.0029590500000000, -0.0014957200000000 ] - [ 0.0000020500000000, 0.0007155000000000, 0.0016721700000000 ] - [ 0.0008918500000000, -0.0002171600000000, 0.0001279800000000 ] - [ 0.0017345000000000, -0.0002798000000000, -0.0004168900000000 ] - [ 0.0003356100000000, -0.0011484600000000, 0.0006672300000000 ] - [ -0.0004813700000000, -0.0003365200000000, 0.0001733000000000 ] - [ 0.0000751500000000, 0.0001778000000000, -0.0006454900000000 ] - [ -0.0001633300000000, 0.0002148700000000, 0.0004009500000000 ] - [ -0.0002640900000000, 0.0000977600000000, 0.0004821400000000 ] - [ -0.0040019200000000, -0.0023999100000000, 0.0036414000000000 ] - [ 0.0003382300000000, 0.0000072300000000, 0.0004842700000000 ] - [ 0.0012045100000000, -0.0001410400000000, -0.0022394600000000 ] - [ -0.0052790100000000, 0.0004171900000000, 0.0005565900000000 ] - [ 0.0002616400000000, -0.0001895200000000, 0.0009928500000000 ] - [ -0.0000353400000000, -0.0003930500000000, 0.0002819600000000 ] - [ -0.0005263700000000, -0.0006760200000000, -0.0003243000000000 ] - [ -0.0200149100000000, -0.0003892600000000, -0.0015188800000000 ] - [ 0.0003303200000000, -0.0003542200000000, 0.0021302300000000 ] - [ 0.0007949300000000, 0.0005647400000000, -0.0004815500000000 ] - [ -0.0007846200000000, 0.0002116600000000, 0.0007338100000000 ] - [ -0.0176436700000000, -0.0116511600000000, 0.0129323800000000 ] - [ -0.0001919300000000, -0.0006833500000000, -0.0005801200000000 ] - [ -0.0009183600000000, -0.0003346500000000, -0.0001676500000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000783200000000, -0.0002597200000000, -0.0000166800000000 ] - [ -0.0007689900000000, 0.0006960900000000, 0.0001768700000000 ] - [ 0.0002828500000000, -0.0004707800000000, -0.0002985700000000 ] - [ -0.0003638500000000, -0.0003942500000000, -0.0002836000000000 ] - [ 0.0001166900000000, 0.0003635500000000, 0.0002644300000000 ] - [ 0.0108999000000000, 0.0012913000000000, -0.0117777300000000 ] - [ -0.0000753100000000, -0.0019150600000000, 0.0012378000000000 ] - [ 0.0005111600000000, -0.0001283600000000, 0.0002453000000000 ] - [ -0.0001375300000000, 0.0011675800000000, 0.0002526200000000 ] - [ -0.0034636400000000, 0.0003490700000000, 0.0017233500000000 ] - [ -0.0001526200000000, 0.0006376300000000, 0.0005285100000000 ] - [ 0.0003523100000000, 0.0003862500000000, 0.0003850700000000 ] - [ 0.0005392900000000, -0.0043593300000000, 0.0044965500000000 ] - [ -0.0000797600000000, 0.0003651000000000, 0.0005299800000000 ] - [ 0.0001383300000000, -0.0003298700000000, -0.0002730900000000 ] - [ -0.0003844100000000, -0.0010868700000000, 0.0000034400000000 ] - [ 0.0001200500000000, 0.0003023900000000, 0.0000922900000000 ] - [ -0.0001332300000000, 0.0002785700000000, 0.0002456800000000 ] - [ -0.0007026700000000, -0.0039751100000000, -0.0029759900000000 ] - [ 0.0000765100000000, -0.0001697800000000, 0.0001421700000000 ] - [ 0.0001462100000000, -0.0006180600000000, -0.0004779400000000 ] - [ 0.0001131600000000, -0.0009372600000000, -0.0001705500000000 ] - [ -0.0001450600000000, -0.0003624200000000, -0.0002046200000000 ] - [ -0.0000207800000000, 0.0002081200000000, -0.0000706100000000 ] - [ -0.0003242300000000, 0.0004523500000000, 0.0003321600000000 ] - [ -0.0000117000000000, -0.0000571100000000, -0.0004785200000000 ] - [ 0.0006847100000000, -0.0012146200000000, -0.0025138200000000 ] - [ 0.0005098100000000, -0.0005218900000000, 0.0003639800000000 ] - [ 0.0035075600000000, 0.0008926300000000, -0.0022102700000000 ] - [ 0.0007627300000000, 0.0005677900000000, 0.0003513100000000 ] - [ -0.0017125000000000, 0.0008626700000000, -0.0009587800000000 ] - [ 0.0002173500000000, 0.0003838500000000, -0.0001966600000000 ] - [ 0.0003466400000000, -0.0006929800000000, 0.0003439600000000 ] - [ -0.0009647800000000, 0.0003190700000000, -0.0000286400000000 ] - [ -0.0000969200000000, 0.0001362100000000, 0.0005375100000000 ] - [ 0.0003405200000000, -0.0061600500000000, 0.0007029200000000 ] - [ -0.0006596600000000, 0.0004248000000000, -0.0007840400000000 ] - [ -0.0136574500000000, 0.0295960000000000, 0.0000369700000000 ] - [ -0.0002418800000000, 0.0034749800000000, -0.0006879000000000 ] - [ -0.0003225500000000, -0.0003198800000000, -0.0002082800000000 ] - [ 0.0008486100000000, -0.0008660200000000, 0.0007963200000000 ] - [ 0.0007323400000000, 0.0019513100000000, 0.0010626500000000 ] - [ -0.0009697800000000, -0.0029484700000000, -0.0011985000000000 ] - [ -0.0015627900000000, -0.0051953700000000, -0.0000573200000000 ] - [ 0.0009660800000000, -0.0002970300000000, 0.0001222000000000 ] - [ 0.0000957100000000, -0.0001415800000000, -0.0004573400000000 ] - [ 0.0003454400000000, 0.0000261700000000, 0.0004917200000000 ] - [ -0.0003909900000000, -0.0000158200000000, -0.0005488400000000 ] - [ -0.0002668000000000, -0.0002248600000000, -0.0000228900000000 ] - [ 0.0005986300000000, -0.0000542600000000, -0.0003124300000000 ] - [ 0.0006906100000000, -0.0017398400000000, 0.0008684400000000 ] - [ 0.0000575700000000, -0.0008838700000000, 0.0000875000000000 ] - [ -0.0006398500000000, 0.0016381800000000, -0.0004870600000000 ] - [ 0.0002518100000000, 0.0004611800000000, -0.0003218700000000 ] - [ 0.0002439700000000, -0.0000763000000000, -0.0001138200000000 ] - [ 0.0001451700000000, 0.0001798100000000, 0.0004552800000000 ] - [ -0.0000503400000000, -0.0003013300000000, -0.0001025900000000 ] - [ 0.0026517400000000, 0.0026601200000000, 0.0008153900000000 ] - [ 0.0001595800000000, 0.0000253000000000, 0.0000151200000000 ] - [ -0.0004955800000000, -0.0003171900000000, -0.0000444500000000 ] - [ 0.0003489100000000, -0.0000918100000000, 0.0005178200000000 ] - [ -0.0001387300000000, -0.0012520300000000, 0.0008278100000000 ] - [ -0.0003762000000000, -0.0000389900000000, -0.0001205400000000 ] - [ -0.0006101400000000, 0.0022272300000000, -0.0002681300000000 ] - [ 0.0007931200000000, -0.0277494200000000, 0.0129244400000000 ] - [ 0.0004387200000000, 0.0002687200000000, 0.0009677700000000 ] - [ 0.0000191300000000, 0.0004799000000000, 0.0003103400000000 ] - [ 0.0001151800000000, -0.0006216300000000, 0.0003028100000000 ] - [ -0.0002360600000000, 0.0001959400000000, -0.0005625100000000 ] - [ -0.0003602400000000, 0.0000899500000000, -0.0005586000000000 ] - [ 0.0005010600000000, 0.0003220200000000, 0.0000025500000000 ] - [ 0.0003306500000000, 0.0017611700000000, 0.0014982100000000 ] - [ 0.0002562900000000, 0.0002825300000000, 0.0000576500000000 ] - [ -0.0000416600000000, 0.0002069200000000, -0.0002568900000000 ] - [ -0.0004029000000000, 0.0000738600000000, 0.0001496000000000 ] - [ 0.0000567000000000, -0.0002069200000000, -0.0001520800000000 ] - [ -0.0007186800000000, -0.0008895600000000, -0.0021040600000000 ] - [ 0.0002647500000000, 0.0003723500000000, -0.0000764800000000 ] - [ 0.0001066100000000, -0.0001310700000000, 0.0000148100000000 ] - [ 0.0002778800000000, 0.0002453300000000, -0.0000180600000000 ] - [ -0.0002382300000000, -0.0002874400000000, -0.0000959900000000 ] - [ -0.0004290000000000, -0.0005621400000000, -0.0008343200000000 ] - [ -0.0014736800000000, -0.0002536000000000, 0.0021740600000000 ] - [ -0.0001197300000000, -0.0002278300000000, -0.0004742700000000 ] - [ -0.0002222800000000, 0.0007777300000000, 0.0004886300000000 ] - [ 0.0000545400000000, -0.0002397800000000, 0.0001663800000000 ] - [ 0.0002490300000000, -0.0000338100000000, -0.0002661700000000 ] - [ -0.0000942500000000, -0.0005353100000000, -0.0002374300000000 ] - [ -0.0030198300000000, 0.0049647600000000, -0.0004460000000000 ] - [ -0.0005251800000000, -0.0004421900000000, -0.0007292200000000 ] - [ 0.0000539200000000, 0.0003678200000000, -0.0000178300000000 ] - [ -0.0140831300000000, 0.0004443800000000, 0.0074052300000000 ] - [ -0.0001410300000000, 0.0001058300000000, 0.0001093700000000 ] - [ -0.0000717400000000, 0.0002266000000000, 0.0001468800000000 ] - [ -0.0002225800000000, 0.0006816900000000, 0.0000841600000000 ] - [ -0.0015436400000000, -0.0059755300000000, -0.0012570800000000 ] - [ 0.0003199100000000, 0.0000885900000000, 0.0001623600000000 ] - [ 0.0024105300000000, 0.0052047100000000, 0.0002279300000000 ] - [ 0.0003901100000000, 0.0007354300000000, 0.0008155500000000 ] - [ -0.0002745300000000, -0.0007676900000000, 0.0001980600000000 ] - [ 0.0003113300000000, 0.0024959500000000, 0.0005330600000000 ] - [ 0.0002056600000000, -0.0006017700000000, -0.0007591400000000 ] - [ 0.0002877900000000, -0.0001131200000000, 0.0005827600000000 ] - [ -0.0004144400000000, 0.0000083900000000, -0.0009617000000000 ] - [ -0.0002452200000000, 0.0000540700000000, 0.0000735900000000 ] - [ -0.0000929400000000, 0.0002631200000000, 0.0000475100000000 ] - [ 0.0017766500000000, 0.0013123900000000, -0.0026341100000000 ] - [ 0.0000692200000000, 0.0004155600000000, 0.0004582400000000 ] - [ 0.0005350100000000, -0.0004548900000000, 0.0017617500000000 ] - [ 0.0000956600000000, -0.0002697000000000, 0.0002160800000000 ] - [ 0.0002190700000000, -0.0001855300000000, 0.0005108900000000 ] - [ 0.0000837400000000, -0.0002563000000000, -0.0000799100000000 ] - [ -0.0001642800000000, -0.0005997500000000, -0.0004609500000000 ] - [ 0.0007646400000000, -0.0004202100000000, -0.0001210700000000 ] - [ 0.0002847800000000, 0.0023138700000000, -0.0018359600000000 ] - [ -0.0002025000000000, 0.0013136000000000, -0.0006133100000000 ] - [ -0.0005897300000000, 0.0000231300000000, 0.0002526800000000 ] - [ 0.0156804500000000, 0.0007570800000000, -0.0076474200000000 ] - [ 0.0006664300000000, 0.0004956800000000, 0.0000270100000000 ] - [ 0.0005059900000000, 0.0005690200000000, 0.0001491000000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000673800000000, -0.0002386200000000, -0.0000488800000000 ] - [ 0.0009855600000000, -0.0013822900000000, 0.0003216500000000 ] - [ 0.0002483400000000, -0.0004870900000000, -0.0002882700000000 ] - [ -0.0003621600000000, -0.0004484400000000, -0.0003089000000000 ] - [ 0.0001094800000000, 0.0003499800000000, 0.0002382100000000 ] - [ -0.0110140700000000, -0.0021279600000000, 0.0126013200000000 ] - [ -0.0004573700000000, 0.0009620900000000, -0.0006775900000000 ] - [ -0.0003594400000000, -0.0003960200000000, -0.0001516300000000 ] - [ -0.0000840900000000, 0.0004703600000000, -0.0000947400000000 ] - [ 0.0033292400000000, -0.0006475700000000, -0.0020439100000000 ] - [ -0.0001389800000000, 0.0005526400000000, 0.0004735500000000 ] - [ 0.0003719200000000, 0.0004579600000000, 0.0002073700000000 ] - [ -0.0007727500000000, 0.0050743600000000, -0.0049549900000000 ] - [ -0.0001395700000000, -0.0020058200000000, -0.0003717600000000 ] - [ 0.0000983700000000, -0.0003025500000000, -0.0003591300000000 ] - [ 0.0011150800000000, 0.0002364500000000, 0.0005878300000000 ] - [ 0.0000264200000000, 0.0001969100000000, -0.0000266600000000 ] - [ -0.0001053300000000, 0.0003544100000000, 0.0003863400000000 ] - [ 0.0005313500000000, 0.0044745400000000, 0.0029200500000000 ] - [ 0.0000630200000000, -0.0001332600000000, 0.0001656800000000 ] - [ 0.0001454000000000, -0.0005716900000000, -0.0005247200000000 ] - [ 0.0001070700000000, -0.0007001400000000, 0.0000100200000000 ] - [ -0.0000811600000000, -0.0003502500000000, -0.0002977800000000 ] - [ -0.0001178600000000, 0.0000958200000000, -0.0002379500000000 ] - [ -0.0002064300000000, 0.0005064000000000, 0.0002534000000000 ] - [ 0.0003062300000000, 0.0012480800000000, -0.0005205600000000 ] - [ -0.0005384600000000, 0.0015103100000000, 0.0027976000000000 ] - [ -0.0007443000000000, -0.0001075500000000, 0.0002701800000000 ] - [ -0.0029627300000000, 0.0000642800000000, 0.0016214100000000 ] - [ -0.0005214800000000, 0.0000703100000000, -0.0009777700000000 ] - [ 0.0009913800000000, -0.0000259300000000, 0.0003707300000000 ] - [ 0.0000057300000000, 0.0012570800000000, 0.0000380900000000 ] - [ 0.0004814600000000, -0.0001112000000000, 0.0002994900000000 ] - [ -0.0009719900000000, 0.0003301600000000, -0.0001257300000000 ] - [ -0.0000899600000000, 0.0001769800000000, 0.0004591700000000 ] - [ -0.0005203200000000, 0.0058499000000000, 0.0002830600000000 ] - [ -0.0009827300000000, 0.0014371300000000, -0.0008554900000000 ] - [ 0.0143085100000000, -0.0286479700000000, 0.0002789800000000 ] - [ -0.0005892400000000, -0.0026700000000000, 0.0000389300000000 ] - [ -0.0005001800000000, -0.0004841000000000, -0.0004278900000000 ] - [ 0.0008004100000000, -0.0009955600000000, 0.0008391300000000 ] - [ 0.0009096800000000, -0.0000876800000000, 0.0005731100000000 ] - [ -0.0006767000000000, 0.0010875400000000, -0.0004385000000000 ] - [ -0.0003860900000000, 0.0045439000000000, -0.0000899000000000 ] - [ 0.0009745700000000, -0.0003513000000000, 0.0000344900000000 ] - [ 0.0000904200000000, -0.0001705000000000, -0.0005406900000000 ] - [ 0.0004814300000000, 0.0007796300000000, 0.0001555100000000 ] - [ 0.0006028100000000, 0.0003290700000000, -0.0004586500000000 ] - [ -0.0002664300000000, -0.0002516700000000, 0.0000199500000000 ] - [ 0.0006051800000000, -0.0000486900000000, -0.0002754400000000 ] - [ 0.0000206700000000, 0.0019085600000000, 0.0002253000000000 ] - [ 0.0001416800000000, 0.0003785400000000, -0.0000687400000000 ] - [ -0.0000828300000000, -0.0018011200000000, -0.0006006100000000 ] - [ -0.0000918800000000, -0.0000010100000000, 0.0000639600000000 ] - [ 0.0002325500000000, -0.0000826900000000, -0.0000824700000000 ] - [ 0.0002333000000000, 0.0011264500000000, 0.0004590300000000 ] - [ -0.0000084600000000, -0.0002789400000000, -0.0001170700000000 ] - [ -0.0014187300000000, -0.0025416300000000, -0.0013864900000000 ] - [ 0.0000381500000000, 0.0004814100000000, 0.0000054600000000 ] - [ -0.0005032400000000, -0.0003073100000000, 0.0000221000000000 ] - [ 0.0003725500000000, -0.0000751500000000, 0.0005758800000000 ] - [ -0.0003711200000000, -0.0004906400000000, 0.0000893300000000 ] - [ -0.0003195600000000, 0.0000967800000000, -0.0002352300000000 ] - [ 0.0008227400000000, -0.0017031800000000, 0.0001433900000000 ] - [ -0.0002976300000000, 0.0275852000000000, -0.0128688000000000 ] - [ 0.0003759000000000, -0.0006351800000000, 0.0007751500000000 ] - [ 0.0001102700000000, 0.0000227300000000, -0.0000343900000000 ] - [ 0.0002587100000000, -0.0006839000000000, 0.0006001800000000 ] - [ -0.0002098700000000, 0.0001860100000000, -0.0005066500000000 ] - [ -0.0003604700000000, 0.0000776600000000, -0.0005330800000000 ] - [ 0.0004966900000000, 0.0003030500000000, 0.0000211900000000 ] - [ 0.0003646200000000, -0.0016975800000000, -0.0011374900000000 ] - [ 0.0002472600000000, 0.0002710300000000, 0.0000929700000000 ] - [ -0.0000906000000000, 0.0002924900000000, -0.0000202000000000 ] - [ -0.0000587300000000, 0.0005266600000000, -0.0000331500000000 ] - [ 0.0001093900000000, -0.0002535900000000, -0.0001028900000000 ] - [ 0.0005661200000000, 0.0012955400000000, 0.0012000100000000 ] - [ 0.0001940600000000, 0.0002292900000000, -0.0000389100000000 ] - [ -0.0000483700000000, -0.0004482000000000, 0.0002038400000000 ] - [ 0.0002554100000000, 0.0002310700000000, 0.0000216000000000 ] - [ -0.0002666500000000, -0.0002654300000000, -0.0000542300000000 ] - [ -0.0003852800000000, 0.0001934700000000, -0.0009060600000000 ] - [ 0.0012938000000000, -0.0002205700000000, -0.0019127200000000 ] - [ -0.0000351200000000, -0.0001819600000000, -0.0004272700000000 ] - [ -0.0002889200000000, 0.0009611700000000, 0.0004265700000000 ] - [ 0.0000787900000000, -0.0002590300000000, 0.0001122900000000 ] - [ 0.0002080400000000, -0.0005656100000000, 0.0001471000000000 ] - [ 0.0006153800000000, 0.0000556500000000, 0.0002403800000000 ] - [ 0.0024468900000000, -0.0044623200000000, 0.0004242900000000 ] - [ -0.0001662700000000, 0.0003889000000000, 0.0003750700000000 ] - [ 0.0000038100000000, 0.0002120700000000, 0.0002355300000000 ] - [ 0.0139911300000000, -0.0009548300000000, -0.0073390900000000 ] - [ -0.0000581100000000, -0.0006118000000000, -0.0001279900000000 ] - [ -0.0000937400000000, 0.0002348600000000, 0.0001088100000000 ] - [ 0.0000225800000000, -0.0001748700000000, -0.0000993800000000 ] - [ 0.0010284200000000, 0.0056027800000000, 0.0001454400000000 ] - [ 0.0003746100000000, -0.0001468000000000, 0.0001948900000000 ] - [ -0.0019664700000000, -0.0050875000000000, -0.0004408900000000 ] - [ 0.0004214000000000, -0.0003681600000000, 0.0009268500000000 ] - [ -0.0001816000000000, 0.0001670100000000, -0.0000820200000000 ] - [ 0.0001416900000000, -0.0021111500000000, 0.0005333700000000 ] - [ 0.0003050100000000, -0.0011385300000000, -0.0001566300000000 ] - [ -0.0001323200000000, -0.0002984400000000, 0.0003179100000000 ] - [ -0.0003963300000000, 0.0003585500000000, -0.0007785700000000 ] - [ -0.0002310300000000, 0.0001043300000000, 0.0001221600000000 ] - [ -0.0001047400000000, 0.0002642200000000, 0.0000834100000000 ] - [ -0.0019160600000000, -0.0018143100000000, 0.0023585400000000 ] - [ 0.0000844800000000, -0.0000021400000000, 0.0004402300000000 ] - [ -0.0005916600000000, 0.0010422200000000, -0.0019861100000000 ] - [ -0.0005864000000000, 0.0001179000000000, -0.0000173700000000 ] - [ 0.0002279900000000, -0.0001950900000000, 0.0005616000000000 ] - [ 0.0001130600000000, -0.0002714100000000, -0.0000501600000000 ] - [ -0.0002152800000000, -0.0007053500000000, -0.0004548300000000 ] - [ -0.0017718200000000, 0.0010458900000000, 0.0000927800000000 ] - [ 0.0002264600000000, -0.0005771300000000, 0.0009229700000000 ] - [ -0.0001746400000000, -0.0000078900000000, -0.0003045900000000 ] - [ -0.0006148400000000, 0.0000814600000000, 0.0003361700000000 ] - [ -0.0167426800000000, -0.0008541300000000, 0.0081459500000000 ] - [ -0.0001537800000000, -0.0010495800000000, 0.0001208800000000 ] - [ 0.0004797300000000, -0.0011912100000000, -0.0001162600000000 ]- atom: 65 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ 0.0000647600000000, -0.0003496500000000, -0.0012159300000000 ] - [ 0.0004507100000000, 0.0002020300000000, 0.0018114400000000 ] - [ 0.0002085800000000, -0.0003604800000000, -0.0017576100000000 ] - [ -0.0004895600000000, -0.0005480000000000, -0.0015347200000000 ] - [ -0.0000876700000000, 0.0003394100000000, -0.0009879500000000 ] - [ -0.0540709400000000, -0.0213565100000000, 0.0609746700000000 ] - [ -0.0025098200000000, 0.0021262800000000, 0.0001732800000000 ] - [ 0.0002093100000000, -0.0007775600000000, 0.0017793300000000 ] - [ 0.0001623000000000, 0.0004956400000000, -0.0015294700000000 ] - [ 0.0064561400000000, -0.0005957900000000, -0.0031234400000000 ] - [ -0.0000382700000000, 0.0005306400000000, -0.0007358000000000 ] - [ 0.0001772900000000, 0.0002435200000000, -0.0010765500000000 ] - [ -0.0048219100000000, 0.0061236500000000, -0.0014977900000000 ] - [ 0.0005274600000000, 0.0001251600000000, -0.0031082000000000 ] - [ -0.0000612900000000, -0.0000025800000000, -0.0011971600000000 ] - [ 0.0030280600000000, 0.0009289000000000, 0.0020687100000000 ] - [ -0.0000736100000000, 0.0002817600000000, -0.0012152800000000 ] - [ -0.0002586700000000, 0.0004809300000000, -0.0009046500000000 ] - [ -0.0041524000000000, -0.0040814600000000, -0.0004700600000000 ] - [ 0.0002780500000000, -0.0002282600000000, -0.0009567300000000 ] - [ 0.0001541400000000, -0.0006237700000000, -0.0017094100000000 ] - [ -0.0002480500000000, -0.0010311800000000, -0.0010261100000000 ] - [ -0.0000417700000000, -0.0002466300000000, -0.0014270800000000 ] - [ -0.0001692900000000, 0.0000742900000000, -0.0016500400000000 ] - [ -0.0000228800000000, 0.0006021500000000, -0.0008468100000000 ] - [ 0.0012106300000000, 0.0007800500000000, 0.0013209700000000 ] - [ -0.0027268500000000, -0.0040141800000000, -0.0010726300000000 ] - [ 0.0040750000000000, -0.0015676800000000, 0.0006232500000000 ] - [ 0.0059582200000000, 0.0006721600000000, -0.0027537800000000 ] - [ 0.0001306700000000, 0.0004517500000000, 0.0011464300000000 ] - [ -0.0004521500000000, 0.0013492600000000, 0.0035816300000000 ] - [ 0.0004150300000000, 0.0009785200000000, 0.0000328300000000 ] - [ 0.0007323400000000, -0.0004462700000000, -0.0001119600000000 ] - [ -0.0008191700000000, 0.0003754600000000, -0.0018802800000000 ] - [ -0.0000854400000000, 0.0002138600000000, -0.0013944300000000 ] - [ 0.0002324400000000, 0.0003296200000000, 0.0044260100000000 ] - [ -0.0009685600000000, 0.0010733200000000, -0.0028627200000000 ] - [ -0.1557405000000000, 0.0074475800000000, 0.0546775500000000 ] - [ -0.0016091600000000, -0.0002862300000000, -0.0035832500000000 ] - [ 0.0015343500000000, -0.0002546600000000, -0.0011793700000000 ] - [ 0.0023216400000000, -0.0009257700000000, -0.0000025500000000 ] - [ -0.0005062800000000, 0.0004903300000000, -0.0015663400000000 ] - [ -0.0002050400000000, 0.0001256400000000, -0.0030771900000000 ] - [ -0.0017901100000000, -0.0002668600000000, 0.0070140800000000 ] - [ 0.0011609900000000, -0.0002805100000000, -0.0018292500000000 ] - [ -0.0000368100000000, -0.0000797300000000, -0.0025289000000000 ] - [ -0.0002386300000000, 0.0004609900000000, -0.0008369200000000 ] - [ 0.0076065500000000, -0.0001362600000000, 0.0029299700000000 ] - [ -0.0002458500000000, -0.0006477500000000, 0.0009792600000000 ] - [ 0.0004687700000000, 0.0002336100000000, 0.0005099900000000 ] - [ -0.0053236000000000, 0.0008540600000000, -0.0041074900000000 ] - [ -0.0013590400000000, -0.0001180600000000, 0.0010446000000000 ] - [ -0.0003761400000000, 0.0004650000000000, -0.0027495200000000 ] - [ -0.0012681300000000, -0.0001438500000000, -0.0005206900000000 ] - [ 0.0001820200000000, 0.0002388500000000, 0.0007490500000000 ] - [ 0.0007810800000000, 0.0007564000000000, 0.0017105000000000 ] - [ -0.0004630000000000, 0.0000835100000000, 0.0006563300000000 ] - [ 0.0024517600000000, 0.0015499400000000, -0.0023537900000000 ] - [ 0.0006202200000000, 0.0002397900000000, 0.0015687800000000 ] - [ -0.0005065200000000, -0.0004442100000000, 0.0009985600000000 ] - [ 0.0007582700000000, -0.0000420800000000, 0.0018383200000000 ] - [ 0.0006846500000000, -0.0006708000000000, 0.0012088400000000 ] - [ -0.0006716300000000, -0.0002263800000000, 0.0003973600000000 ] - [ 0.0012345100000000, -0.0005423600000000, -0.0020888300000000 ] - [ 0.2638362200000000, 0.0122810900000000, -0.1241514000000000 ] - [ 0.0009688800000000, -0.0004849800000000, 0.0022912500000000 ] - [ -0.0013089300000000, 0.0001200900000000, -0.0007121900000000 ] - [ -0.0002866500000000, -0.0006622400000000, -0.0003046500000000 ] - [ 0.0001191100000000, 0.0002074600000000, 0.0006194700000000 ] - [ -0.0000755900000000, 0.0001234000000000, 0.0006228300000000 ] - [ 0.0004702500000000, 0.0001789000000000, 0.0010490700000000 ] - [ 0.0000119400000000, 0.0016528700000000, 0.0020535800000000 ] - [ -0.0000798600000000, 0.0002947600000000, 0.0008213200000000 ] - [ -0.0001423500000000, 0.0002833300000000, 0.0009559000000000 ] - [ -0.0023983000000000, -0.0001253000000000, 0.0014188700000000 ] - [ 0.0002287400000000, -0.0003532500000000, 0.0006793000000000 ] - [ 0.0016400300000000, -0.0000587500000000, 0.0013811900000000 ] - [ 0.0002503300000000, 0.0003616800000000, 0.0002142300000000 ] - [ -0.0005827100000000, -0.0003389300000000, -0.0000107800000000 ] - [ 0.0003351800000000, -0.0001888300000000, 0.0010914600000000 ] - [ -0.0006968800000000, -0.0002513100000000, 0.0007005400000000 ] - [ -0.0005295800000000, -0.0000323200000000, -0.0013981100000000 ] - [ -0.0075918100000000, 0.0046667000000000, 0.0089088200000000 ] - [ -0.0004646900000000, -0.0006622100000000, 0.0001350200000000 ] - [ -0.0004897800000000, 0.0010637000000000, 0.0008765900000000 ] - [ 0.0002268100000000, -0.0001954600000000, 0.0010456700000000 ] - [ 0.0003191300000000, -0.0003749100000000, 0.0000448000000000 ] - [ -0.0018360500000000, -0.0006219000000000, -0.0015008100000000 ] - [ 0.0005134500000000, -0.0005617800000000, -0.0027364500000000 ] - [ 0.0009091000000000, -0.0001555800000000, 0.0011622100000000 ] - [ 0.0001417300000000, 0.0004516600000000, 0.0009146400000000 ] - [ -0.0174868800000000, 0.0101020000000000, 0.0054372500000000 ] - [ -0.0010686300000000, -0.0003849200000000, 0.0011466200000000 ] - [ -0.0003128600000000, 0.0001913700000000, 0.0010060100000000 ] - [ 0.0002657700000000, 0.0003298000000000, 0.0006213700000000 ] - [ 0.0020358200000000, 0.0002580200000000, -0.0088961000000000 ] - [ 0.0003250500000000, -0.0002755000000000, 0.0012247800000000 ] - [ 0.0009277300000000, -0.0005733300000000, -0.0027800100000000 ] - [ 0.0000592400000000, 0.0009942700000000, 0.0016916500000000 ] - [ -0.0000488700000000, -0.0000286200000000, 0.0010948700000000 ] - [ 0.0005857100000000, -0.0002826600000000, -0.0024248500000000 ] - [ 0.0003270800000000, -0.0011323100000000, 0.0009367200000000 ] - [ -0.0002765300000000, -0.0000980600000000, 0.0003759000000000 ] - [ 0.0002105300000000, 0.0001849600000000, 0.0001578800000000 ] - [ -0.0002628000000000, 0.0003926500000000, 0.0009834900000000 ] - [ -0.0002929700000000, -0.0001129600000000, 0.0009937700000000 ] - [ -0.0048361500000000, -0.0033112800000000, 0.0029827800000000 ] - [ 0.0002993800000000, 0.0000916400000000, 0.0011123500000000 ] - [ 0.0018205800000000, 0.0010916900000000, 0.0010159900000000 ] - [ -0.0022804700000000, 0.0000425700000000, -0.0009474400000000 ] - [ 0.0004679100000000, -0.0001802600000000, 0.0016068800000000 ] - [ -0.0000400200000000, -0.0006078300000000, 0.0007506700000000 ] - [ -0.0003386500000000, -0.0006611400000000, 0.0001707400000000 ] - [ -0.0117335000000000, -0.0003545100000000, -0.0030984300000000 ] - [ 0.0001771400000000, -0.0003104100000000, 0.0021286200000000 ] - [ 0.0005302600000000, 0.0005073100000000, -0.0001607600000000 ] - [ -0.0008088900000000, 0.0003913100000000, 0.0012347700000000 ] - [ -0.0243518000000000, -0.0121006400000000, 0.0095029000000000 ] - [ 0.0006436100000000, -0.0005047700000000, -0.0019134800000000 ] - [ 0.0001382800000000, -0.0007048000000000, -0.0018783900000000 ]- atom: 65 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ -0.0002090800000000, -0.0001489700000000, 0.0011536400000000 ] - [ -0.0002245300000000, -0.0008856800000000, -0.0013031000000000 ] - [ 0.0003219500000000, -0.0005973400000000, 0.0011738000000000 ] - [ -0.0002369600000000, -0.0002945800000000, 0.0009443200000000 ] - [ 0.0003133100000000, 0.0003729400000000, 0.0014919500000000 ] - [ 0.0499910300000000, 0.0189774400000000, -0.0571439300000000 ] - [ 0.0019714800000000, -0.0030767000000000, 0.0004045300000000 ] - [ -0.0000497700000000, 0.0002493300000000, -0.0016766900000000 ] - [ -0.0003850700000000, 0.0011442500000000, 0.0016937300000000 ] - [ -0.0066311800000000, 0.0003093100000000, 0.0028284000000000 ] - [ -0.0002525800000000, 0.0006597300000000, 0.0017410700000000 ] - [ 0.0005497000000000, 0.0005999800000000, 0.0016734100000000 ] - [ 0.0046377800000000, -0.0054203500000000, 0.0009954800000000 ] - [ -0.0007472900000000, -0.0017705000000000, 0.0032706600000000 ] - [ 0.0002989200000000, -0.0006295700000000, 0.0005672200000000 ] - [ -0.0022952800000000, -0.0017764300000000, -0.0014688300000000 ] - [ 0.0002198400000000, 0.0002177300000000, 0.0012827400000000 ] - [ 0.0000216200000000, 0.0001501300000000, 0.0015401200000000 ] - [ 0.0040272000000000, 0.0045903100000000, 0.0003821900000000 ] - [ -0.0001396100000000, -0.0000745500000000, 0.0012664000000000 ] - [ 0.0001362300000000, -0.0005662600000000, 0.0007089800000000 ] - [ 0.0004690000000000, -0.0006074900000000, 0.0008683600000000 ] - [ -0.0001823500000000, -0.0004664800000000, 0.0009282500000000 ] - [ 0.0000299300000000, 0.0002281000000000, 0.0013448500000000 ] - [ -0.0005089500000000, 0.0003560800000000, 0.0014351800000000 ] - [ -0.0009258200000000, 0.0004102500000000, -0.0023321700000000 ] - [ 0.0028717000000000, 0.0043045300000000, 0.0013745100000000 ] - [ -0.0043095800000000, 0.0009412400000000, 0.0000158700000000 ] - [ -0.0054459400000000, 0.0002740100000000, 0.0021848100000000 ] - [ 0.0001045900000000, 0.0001814400000000, -0.0017850800000000 ] - [ -0.0002834700000000, -0.0005098500000000, -0.0041850000000000 ] - [ -0.0001950100000000, 0.0006615200000000, -0.0001939300000000 ] - [ 0.0000944400000000, -0.0003579100000000, 0.0007606100000000 ] - [ -0.0011142900000000, 0.0002722600000000, 0.0017271100000000 ] - [ -0.0001003600000000, 0.0001003500000000, 0.0023986700000000 ] - [ -0.0004164100000000, -0.0006512300000000, -0.0034203300000000 ] - [ -0.0006790800000000, 0.0007881400000000, 0.0012268300000000 ] - [ 0.1629477800000000, -0.0072298200000000, -0.0540671700000000 ] - [ 0.0007942800000000, 0.0010974500000000, 0.0029427800000000 ] - [ -0.0023519300000000, -0.0005524600000000, 0.0005497700000000 ] - [ -0.0006806200000000, -0.0009360700000000, 0.0016380400000000 ] - [ 0.0021483900000000, 0.0013716100000000, 0.0032035500000000 ] - [ -0.0014418200000000, -0.0019905800000000, 0.0014472000000000 ] - [ -0.0001314300000000, -0.0003771900000000, -0.0072101000000000 ] - [ 0.0007706300000000, -0.0003671500000000, 0.0019901900000000 ] - [ 0.0002226300000000, -0.0002347500000000, 0.0015333800000000 ] - [ 0.0010659800000000, 0.0003444100000000, 0.0014811000000000 ] - [ -0.0074266400000000, 0.0004527600000000, -0.0039622600000000 ] - [ -0.0002906600000000, 0.0001753500000000, -0.0009793900000000 ] - [ 0.0007317300000000, -0.0003341400000000, -0.0010978000000000 ] - [ 0.0060487000000000, -0.0006868700000000, 0.0052166900000000 ] - [ 0.0015605100000000, -0.0003888000000000, -0.0010306400000000 ] - [ -0.0003437800000000, -0.0006297100000000, 0.0016569700000000 ] - [ 0.0014402600000000, 0.0006090900000000, 0.0002614600000000 ] - [ 0.0002954400000000, -0.0003983500000000, -0.0009442900000000 ] - [ -0.0004091900000000, 0.0005510300000000, -0.0007960200000000 ] - [ 0.0004045800000000, -0.0006599300000000, -0.0008807800000000 ] - [ -0.0012503800000000, -0.0014645900000000, 0.0017666500000000 ] - [ -0.0004226700000000, 0.0002665200000000, -0.0015537600000000 ] - [ -0.0004912100000000, -0.0001864700000000, -0.0010245800000000 ] - [ -0.0000364700000000, -0.0001260000000000, -0.0007460900000000 ] - [ -0.0011911900000000, -0.0010655100000000, -0.0002926100000000 ] - [ -0.0000227900000000, 0.0002829000000000, -0.0007540700000000 ] - [ -0.0010380500000000, 0.0010833000000000, 0.0019659300000000 ] - [ -0.2662872300000000, -0.0101875300000000, 0.1208535300000000 ] - [ -0.0001596000000000, 0.0001187600000000, -0.0005561600000000 ] - [ 0.0014495600000000, 0.0003766700000000, 0.0009895000000000 ] - [ 0.0006532100000000, -0.0006457500000000, 0.0012043300000000 ] - [ -0.0005637100000000, 0.0001764100000000, -0.0016907100000000 ] - [ -0.0006470900000000, 0.0000445500000000, -0.0017205000000000 ] - [ 0.0005289300000000, 0.0004519600000000, -0.0010291900000000 ] - [ 0.0006836400000000, -0.0016002500000000, -0.0017044200000000 ] - [ 0.0005939700000000, 0.0002620300000000, -0.0006715700000000 ] - [ 0.0000109900000000, 0.0002130100000000, -0.0012346600000000 ] - [ 0.0019420100000000, 0.0007241000000000, -0.0013017300000000 ] - [ -0.0000664500000000, -0.0001093000000000, -0.0009390100000000 ] - [ -0.0018075400000000, 0.0004771000000000, -0.0022922100000000 ] - [ 0.0002056400000000, 0.0002366500000000, -0.0003360400000000 ] - [ 0.0006377500000000, -0.0002379100000000, 0.0002308100000000 ] - [ 0.0002008600000000, 0.0006637900000000, -0.0010969400000000 ] - [ 0.0001858800000000, -0.0003053600000000, -0.0008547200000000 ] - [ -0.0002819700000000, -0.0003350300000000, -0.0003408200000000 ] - [ 0.0073576900000000, -0.0050803500000000, -0.0085644200000000 ] - [ 0.0003065500000000, 0.0002498400000000, -0.0010432600000000 ] - [ -0.0000183800000000, 0.0006744000000000, 0.0000400900000000 ] - [ -0.0000956300000000, -0.0003004700000000, -0.0007716000000000 ] - [ 0.0001344700000000, -0.0002238900000000, -0.0001639300000000 ] - [ 0.0023575800000000, 0.0001456200000000, 0.0015046700000000 ] - [ -0.0010419800000000, 0.0010283700000000, 0.0027415800000000 ] - [ -0.0015981100000000, 0.0000976800000000, -0.0015150000000000 ] - [ -0.0000844100000000, 0.0001233600000000, -0.0006964000000000 ] - [ 0.0175885400000000, -0.0109028100000000, -0.0053907700000000 ] - [ 0.0008779400000000, -0.0001212600000000, -0.0011678400000000 ] - [ 0.0001514100000000, 0.0002721000000000, -0.0007496400000000 ] - [ -0.0004602600000000, 0.0001762600000000, -0.0006408400000000 ] - [ -0.0025929900000000, -0.0006325500000000, 0.0078277000000000 ] - [ 0.0003712000000000, 0.0002195400000000, -0.0008695500000000 ] - [ -0.0004443000000000, 0.0007436800000000, 0.0025883900000000 ] - [ 0.0007509600000000, -0.0006275800000000, 0.0000491100000000 ] - [ -0.0004065600000000, -0.0005714200000000, -0.0009785000000000 ] - [ -0.0001465100000000, 0.0006682300000000, 0.0035063200000000 ] - [ 0.0001831100000000, -0.0006068800000000, -0.0018525000000000 ] - [ 0.0004320100000000, -0.0003165800000000, 0.0005261400000000 ] - [ -0.0010214300000000, 0.0001825400000000, -0.0019013300000000 ] - [ -0.0002144200000000, -0.0002340500000000, -0.0007925400000000 ] - [ 0.0000984800000000, 0.0006460900000000, -0.0008680000000000 ] - [ 0.0046353500000000, 0.0027950100000000, -0.0032238200000000 ] - [ -0.0001441700000000, 0.0003230700000000, -0.0002091400000000 ] - [ -0.0018893800000000, -0.0005223700000000, -0.0012356900000000 ] - [ 0.0017853700000000, -0.0001950600000000, 0.0011501400000000 ] - [ -0.0000249700000000, -0.0002039500000000, -0.0005419800000000 ] - [ 0.0002356500000000, 0.0000763400000000, -0.0008805500000000 ] - [ -0.0000369100000000, -0.0006476700000000, -0.0010915200000000 ] - [ 0.0106964700000000, 0.0009785200000000, 0.0030574700000000 ] - [ 0.0003311700000000, 0.0020480600000000, -0.0030570800000000 ] - [ -0.0009070000000000, 0.0008022100000000, -0.0007569700000000 ] - [ -0.0003900700000000, -0.0002911200000000, -0.0006499400000000 ] - [ 0.0235873100000000, 0.0123173200000000, -0.0090549400000000 ] - [ -0.0001328800000000, -0.0000506200000000, 0.0020758300000000 ] - [ 0.0008621100000000, 0.0000753200000000, 0.0019020200000000 ]- atom: 66 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ -0.0001558300000000, -0.0001600000000000, -0.0001916200000000 ] - [ 0.0001068000000000, -0.0004352900000000, -0.0002107600000000 ] - [ 0.0000345900000000, -0.0003233600000000, -0.0007318700000000 ] - [ -0.0000448300000000, -0.0003886100000000, -0.0006347600000000 ] - [ -0.0027597000000000, 0.0024252700000000, -0.0022979100000000 ] - [ -0.0000780900000000, -0.0005423100000000, 0.0002018000000000 ] - [ -0.0002019300000000, -0.0004569000000000, 0.0000366400000000 ] - [ 0.0001063500000000, -0.0001631800000000, -0.0004128400000000 ] - [ 0.0013855300000000, 0.0024734200000000, 0.0010977000000000 ] - [ -0.0010831600000000, 0.0011297100000000, -0.0021312900000000 ] - [ 0.0000365000000000, 0.0007942700000000, 0.0017031100000000 ] - [ 0.0048362600000000, 0.0007091000000000, 0.0015534900000000 ] - [ 0.0019387500000000, -0.0013141400000000, 0.0013877700000000 ] - [ -0.0001803800000000, -0.0007978200000000, -0.0002139100000000 ] - [ 0.0003786600000000, -0.0002720100000000, -0.0005505900000000 ] - [ 0.0002470800000000, -0.0003224600000000, -0.0000154200000000 ] - [ -0.0031790500000000, -0.0017964400000000, -0.0021075600000000 ] - [ 0.0046019000000000, -0.0053209800000000, 0.0035214900000000 ] - [ 0.0027838800000000, 0.0016872000000000, 0.0015625400000000 ] - [ -0.0021954400000000, -0.0046316000000000, 0.0042080100000000 ] - [ -0.0003314200000000, -0.0006161600000000, -0.0014065000000000 ] - [ 0.0001719600000000, -0.0008248600000000, -0.0005069500000000 ] - [ -0.0001716700000000, -0.0004379400000000, -0.0004016000000000 ] - [ -0.0002982200000000, 0.0000227000000000, -0.0006043600000000 ] - [ -0.0020556300000000, 0.0047590300000000, 0.0048497900000000 ] - [ -0.0002013000000000, 0.0005847900000000, -0.0017187000000000 ] - [ 0.0001340900000000, 0.0001047800000000, -0.0001237600000000 ] - [ -0.0002031200000000, -0.0003906200000000, 0.0000155500000000 ] - [ -0.0007204200000000, -0.0019112700000000, -0.0018639100000000 ] - [ -0.0018725300000000, -0.0000014100000000, 0.0006386900000000 ] - [ -0.0018370400000000, 0.0001792100000000, -0.0000101600000000 ] - [ -0.0060833600000000, -0.0007631400000000, -0.0039332900000000 ] - [ 0.0004969300000000, -0.0004309500000000, -0.0001595200000000 ] - [ -0.0032027300000000, 0.0001881400000000, 0.0000311900000000 ] - [ 0.0057084400000000, 0.0005358500000000, 0.0029011700000000 ] - [ -0.0006279800000000, -0.0000209000000000, 0.0011118400000000 ] - [ -0.0009089200000000, 0.0009143300000000, -0.0012643400000000 ] - [ 0.0014838900000000, 0.0002097100000000, -0.0008268800000000 ] - [ 0.0000909900000000, 0.0008621300000000, 0.0020343400000000 ] - [ -0.0003929900000000, -0.0003952300000000, -0.0007887800000000 ] - [ -0.0012558800000000, -0.0015941300000000, 0.0008955300000000 ] - [ 0.0009620600000000, 0.0009211900000000, 0.0002448700000000 ] - [ 0.0940717100000000, -0.0235941800000000, 0.0955209400000000 ] - [ -0.0002274500000000, -0.0003802900000000, -0.0005825500000000 ] - [ 0.0000569300000000, -0.0003627000000000, -0.0002921300000000 ] - [ 0.0010947400000000, 0.0003043600000000, -0.0026030800000000 ] - [ -0.0153642500000000, -0.0036356600000000, 0.0119309800000000 ] - [ -0.0004354500000000, 0.0001390400000000, -0.0014061000000000 ] - [ -0.0012680600000000, -0.0002768600000000, -0.0002692800000000 ] - [ 0.0025880400000000, 0.0002446500000000, -0.0004319500000000 ] - [ 0.0006307300000000, 0.0000520100000000, 0.0011321400000000 ] - [ 0.0009577500000000, -0.0004236000000000, -0.0005208300000000 ] - [ -0.0004048200000000, -0.0000873800000000, -0.0005483900000000 ] - [ 0.0017597100000000, -0.0004270200000000, 0.0011329900000000 ] - [ -0.0007439900000000, -0.0001874000000000, -0.0004235200000000 ] - [ 0.0008112800000000, 0.0006167500000000, -0.0006293000000000 ] - [ -0.0000568300000000, -0.0002328900000000, 0.0000735900000000 ] - [ 0.0003834700000000, 0.0000410500000000, -0.0000833000000000 ] - [ 0.0000617100000000, 0.0002693600000000, 0.0004126200000000 ] - [ -0.0016324200000000, -0.0005137500000000, 0.0002187100000000 ] - [ 0.0006807300000000, -0.0000971700000000, 0.0014797700000000 ] - [ -0.0002711500000000, -0.0008897000000000, 0.0007464600000000 ] - [ 0.0007529800000000, -0.0002762500000000, -0.0006162900000000 ] - [ -0.0001190700000000, 0.0002850400000000, 0.0001020600000000 ] - [ -0.0009600400000000, 0.0003103000000000, 0.0001950500000000 ] - [ -0.1430399500000000, 0.0333031500000000, -0.1170357700000000 ] - [ 0.0018013400000000, 0.0006190600000000, 0.0008635300000000 ] - [ 0.0002456300000000, -0.0006568500000000, 0.0008195000000000 ] - [ 0.0004628000000000, 0.0001688500000000, -0.0002438200000000 ] - [ 0.0007290600000000, -0.0003138900000000, -0.0061091800000000 ] - [ -0.0022768600000000, 0.0000352200000000, 0.0049485300000000 ] - [ -0.0012264200000000, 0.0044605400000000, 0.0082835400000000 ] - [ 0.0013240800000000, 0.0003005300000000, 0.0004820600000000 ] - [ -0.0019579700000000, -0.0010347500000000, -0.0021194400000000 ] - [ -0.0002493400000000, 0.0002595100000000, 0.0002438600000000 ] - [ 0.0000210700000000, -0.0003238000000000, 0.0003149200000000 ] - [ -0.0000354000000000, 0.0005039900000000, -0.0014894300000000 ] - [ 0.0000416900000000, 0.0003216500000000, 0.0001563600000000 ] - [ -0.0000062900000000, -0.0003944400000000, 0.0003823800000000 ] - [ 0.0000335900000000, -0.0016298800000000, 0.0016141000000000 ] - [ 0.0001480000000000, -0.0002629400000000, -0.0002531500000000 ] - [ 0.0006600900000000, -0.0000050000000000, -0.0008015100000000 ] - [ -0.0000608300000000, -0.0001914300000000, 0.0003577800000000 ] - [ -0.0000609700000000, -0.0002867400000000, -0.0002719600000000 ] - [ 0.0012983000000000, 0.0025666300000000, 0.0000833900000000 ] - [ 0.0000150200000000, -0.0001387700000000, 0.0006156300000000 ] - [ 0.0061132700000000, 0.0001561400000000, -0.0026378900000000 ] - [ 0.0003864000000000, -0.0000969300000000, 0.0003866700000000 ] - [ 0.0003960600000000, 0.0002848300000000, -0.0007173100000000 ] - [ -0.0003876600000000, 0.0000906200000000, 0.0001172200000000 ] - [ 0.0153419300000000, 0.0094384800000000, -0.0009282600000000 ] - [ -0.0009801500000000, 0.0005646400000000, 0.0010305700000000 ] - [ 0.0249371000000000, -0.0017963400000000, 0.0091572100000000 ] - [ -0.0022031700000000, 0.0016373600000000, -0.0012041800000000 ] - [ -0.0001039800000000, 0.0002456900000000, 0.0002498800000000 ] - [ -0.0001109000000000, -0.0001865300000000, 0.0000611800000000 ] - [ 0.0004207100000000, -0.0001306800000000, 0.0003992600000000 ] - [ 0.0007137700000000, -0.0000107100000000, -0.0006552400000000 ] - [ 0.0005125900000000, 0.0002113800000000, 0.0011166000000000 ] - [ -0.0015122000000000, -0.0016296500000000, -0.0004322800000000 ] - [ -0.0006766500000000, 0.0000497600000000, 0.0001858500000000 ] - [ 0.0003216800000000, -0.0008293900000000, -0.0002436600000000 ] - [ 0.0000686700000000, -0.0000985000000000, 0.0006841100000000 ] - [ -0.0004164200000000, 0.0001729500000000, -0.0005837900000000 ] - [ -0.0009087600000000, 0.0005337800000000, 0.0011390600000000 ] - [ 0.0001392400000000, 0.0001791600000000, 0.0002095400000000 ] - [ -0.0000026600000000, -0.0002873500000000, 0.0000669600000000 ] - [ 0.0184561300000000, -0.0052051900000000, -0.0012501800000000 ] - [ 0.0002282600000000, -0.0000377600000000, -0.0012762900000000 ] - [ -0.0001374600000000, -0.0002105600000000, 0.0004678200000000 ] - [ 0.0008890600000000, -0.0001807900000000, 0.0004709200000000 ] - [ 0.0021410200000000, -0.0005750400000000, -0.0003531800000000 ] - [ -0.0001209600000000, -0.0006507000000000, -0.0002255900000000 ] - [ -0.0001870100000000, 0.0003505700000000, 0.0001753500000000 ] - [ -0.0013762900000000, -0.0052985600000000, 0.0042228400000000 ] - [ 0.0033040800000000, 0.0019457200000000, -0.0123190200000000 ] - [ -0.0003435600000000, 0.0001267200000000, 0.0004326400000000 ] - [ -0.0014329300000000, -0.0004967100000000, 0.0012364800000000 ] - [ -0.0002313100000000, -0.0002873600000000, 0.0005209500000000 ] - [ 0.0010661700000000, -0.0003465400000000, 0.0002275600000000 ]- atom: 66 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ 0.0000116600000000, -0.0003372400000000, 0.0001271800000000 ] - [ 0.0001105100000000, -0.0002760500000000, 0.0006971100000000 ] - [ 0.0004957700000000, -0.0006347800000000, 0.0001472300000000 ] - [ -0.0006809100000000, -0.0004528800000000, 0.0000389900000000 ] - [ 0.0029827000000000, -0.0017214700000000, 0.0028139600000000 ] - [ -0.0002126300000000, -0.0006497200000000, 0.0008018900000000 ] - [ -0.0003332700000000, -0.0005003500000000, 0.0005422800000000 ] - [ 0.0000466000000000, -0.0003364400000000, 0.0004935700000000 ] - [ -0.0016057800000000, -0.0008319900000000, -0.0009230100000000 ] - [ 0.0009448400000000, -0.0014294100000000, 0.0018243200000000 ] - [ -0.0003282400000000, 0.0003977400000000, -0.0007206700000000 ] - [ -0.0040966000000000, 0.0000721400000000, -0.0010621200000000 ] - [ -0.0021580800000000, 0.0020304300000000, -0.0018739100000000 ] - [ -0.0000410000000000, -0.0008439000000000, 0.0003742200000000 ] - [ -0.0001399300000000, -0.0003595500000000, -0.0000827400000000 ] - [ 0.0004795800000000, -0.0005216600000000, 0.0006093600000000 ] - [ 0.0033271900000000, 0.0023052800000000, 0.0021843700000000 ] - [ -0.0047425200000000, 0.0060256000000000, -0.0029749800000000 ] - [ -0.0029395100000000, -0.0011919500000000, -0.0016400100000000 ] - [ 0.0023620400000000, 0.0042864700000000, -0.0038640300000000 ] - [ 0.0006172900000000, -0.0005737400000000, 0.0004029600000000 ] - [ 0.0000500700000000, -0.0008141500000000, 0.0003475300000000 ] - [ -0.0000517100000000, -0.0002765000000000, -0.0000992200000000 ] - [ 0.0001582000000000, 0.0002797400000000, 0.0002981400000000 ] - [ 0.0015475500000000, -0.0037603900000000, -0.0042196200000000 ] - [ 0.0004920500000000, 0.0006047400000000, 0.0007132100000000 ] - [ 0.0000102400000000, 0.0001960800000000, 0.0004358300000000 ] - [ -0.0000362300000000, -0.0002406700000000, 0.0006169000000000 ] - [ 0.0012577500000000, 0.0028692600000000, 0.0012908400000000 ] - [ 0.0021084300000000, 0.0006362800000000, -0.0012767000000000 ] - [ 0.0011104300000000, 0.0006657900000000, -0.0005854800000000 ] - [ 0.0062769300000000, 0.0023813400000000, 0.0037138300000000 ] - [ 0.0003313900000000, -0.0003764000000000, 0.0008036100000000 ] - [ 0.0012598600000000, 0.0004579500000000, -0.0001760000000000 ] - [ -0.0058796200000000, -0.0002230000000000, -0.0019243300000000 ] - [ 0.0004429700000000, -0.0002959100000000, -0.0001145000000000 ] - [ -0.0007387200000000, 0.0009467700000000, -0.0003705500000000 ] - [ 0.0004513200000000, 0.0004385900000000, 0.0009891000000000 ] - [ -0.0009473200000000, -0.0000534500000000, -0.0026821400000000 ] - [ -0.0004327800000000, -0.0004110800000000, 0.0001455600000000 ] - [ 0.0029215700000000, -0.0002728400000000, 0.0007281800000000 ] - [ 0.0006848700000000, 0.0009408500000000, 0.0013900800000000 ] - [ -0.0939092100000000, 0.0206961500000000, -0.0930347100000000 ] - [ -0.0017068600000000, -0.0002674200000000, 0.0004244900000000 ] - [ 0.0018948100000000, -0.0002847600000000, 0.0004535100000000 ] - [ -0.0009199800000000, -0.0006213500000000, 0.0016054800000000 ] - [ 0.0162896600000000, 0.0044487900000000, -0.0113459800000000 ] - [ 0.0006223000000000, 0.0001767900000000, 0.0004080600000000 ] - [ 0.0007288600000000, -0.0001926300000000, 0.0002738600000000 ] - [ -0.0013917900000000, -0.0003456900000000, -0.0001673700000000 ] - [ 0.0000902300000000, 0.0001150100000000, -0.0000372100000000 ] - [ -0.0007713300000000, -0.0000796000000000, 0.0005350900000000 ] - [ -0.0003188000000000, -0.0000805800000000, -0.0005503300000000 ] - [ -0.0016056800000000, 0.0008815100000000, -0.0013783500000000 ] - [ 0.0012195600000000, 0.0000246900000000, 0.0002336900000000 ] - [ -0.0004313200000000, 0.0006929300000000, 0.0015587500000000 ] - [ -0.0000014000000000, -0.0003442200000000, -0.0002981600000000 ] - [ 0.0008130100000000, 0.0000603500000000, -0.0005065200000000 ] - [ 0.0001361500000000, 0.0002369700000000, -0.0003987700000000 ] - [ 0.0006367800000000, -0.0001194700000000, -0.0002395200000000 ] - [ 0.0000433300000000, -0.0000704400000000, -0.0003841700000000 ] - [ -0.0002371200000000, -0.0008498900000000, 0.0001728100000000 ] - [ -0.0014542200000000, 0.0003210300000000, 0.0002621800000000 ] - [ 0.0003149300000000, 0.0002474300000000, -0.0002333900000000 ] - [ 0.0004500700000000, 0.0002480700000000, -0.0003498300000000 ] - [ 0.1416909800000000, -0.0325150000000000, 0.1144900000000000 ] - [ -0.0016762400000000, -0.0001222300000000, -0.0005882300000000 ] - [ 0.0001269200000000, -0.0006538000000000, 0.0001028900000000 ] - [ -0.0009086600000000, 0.0002160200000000, -0.0008275900000000 ] - [ -0.0014490700000000, 0.0004822300000000, 0.0049704500000000 ] - [ 0.0032963000000000, 0.0005941100000000, -0.0049253600000000 ] - [ 0.0018830600000000, -0.0043633000000000, -0.0078398800000000 ] - [ -0.0008089600000000, 0.0002575900000000, -0.0003318000000000 ] - [ 0.0017786500000000, 0.0015487400000000, 0.0018447700000000 ] - [ -0.0002054300000000, 0.0003370800000000, -0.0001222600000000 ] - [ 0.0001403700000000, -0.0001407100000000, -0.0005745100000000 ] - [ -0.0001151600000000, -0.0000967500000000, 0.0005801400000000 ] - [ 0.0004116300000000, 0.0002760100000000, -0.0002772200000000 ] - [ 0.0000625500000000, -0.0001810800000000, -0.0001586400000000 ] - [ 0.0005019100000000, 0.0021201100000000, -0.0016372300000000 ] - [ -0.0006697000000000, -0.0002955100000000, 0.0001061000000000 ] - [ -0.0014747500000000, -0.0003627200000000, -0.0009402600000000 ] - [ -0.0000989300000000, -0.0002730400000000, -0.0000980200000000 ] - [ -0.0000956700000000, -0.0001237100000000, -0.0006370900000000 ] - [ -0.0018093700000000, -0.0008075800000000, 0.0008369600000000 ] - [ 0.0001176100000000, -0.0003567500000000, -0.0003414100000000 ] - [ -0.0056451900000000, -0.0007577300000000, 0.0025252800000000 ] - [ 0.0001523000000000, -0.0003762000000000, -0.0003942200000000 ] - [ -0.0009342200000000, 0.0001883200000000, 0.0007273000000000 ] - [ -0.0003066800000000, -0.0001423800000000, -0.0004699800000000 ] - [ -0.0154647200000000, -0.0090562700000000, 0.0011183600000000 ] - [ 0.0007861800000000, -0.0010979800000000, -0.0009017100000000 ] - [ -0.0244440500000000, 0.0012247400000000, -0.0089446700000000 ] - [ 0.0019783100000000, -0.0011938600000000, 0.0014746200000000 ] - [ -0.0000942400000000, 0.0002604200000000, -0.0002628700000000 ] - [ -0.0003362100000000, -0.0001997800000000, -0.0011340900000000 ] - [ 0.0002755500000000, 0.0000786400000000, -0.0000471000000000 ] - [ -0.0002375400000000, 0.0001699200000000, 0.0004657300000000 ] - [ 0.0003020800000000, 0.0001567500000000, 0.0006289300000000 ] - [ 0.0010756400000000, 0.0010233300000000, 0.0005462200000000 ] - [ 0.0011266700000000, 0.0003350400000000, 0.0008909200000000 ] - [ 0.0001869600000000, -0.0009108200000000, -0.0006755800000000 ] - [ 0.0000886000000000, -0.0003135700000000, 0.0002242100000000 ] - [ -0.0003968800000000, 0.0001944800000000, -0.0011602600000000 ] - [ 0.0004413800000000, -0.0003771900000000, -0.0009539900000000 ] - [ -0.0003341700000000, 0.0003509700000000, -0.0000790700000000 ] - [ -0.0001292000000000, -0.0002080500000000, -0.0003410800000000 ] - [ -0.0185751200000000, 0.0058030600000000, 0.0021391200000000 ] - [ -0.0002804100000000, 0.0006138000000000, 0.0010522800000000 ] - [ -0.0003392100000000, 0.0000534400000000, -0.0002780300000000 ] - [ -0.0004450000000000, -0.0002029900000000, 0.0005956400000000 ] - [ -0.0019478700000000, 0.0000439000000000, 0.0002126500000000 ] - [ -0.0002506900000000, -0.0006572200000000, -0.0006955500000000 ] - [ -0.0008136000000000, 0.0002825600000000, -0.0001992800000000 ] - [ 0.0018437400000000, 0.0069637400000000, -0.0050827800000000 ] - [ -0.0036480200000000, -0.0006463600000000, 0.0115060200000000 ] - [ -0.0008559000000000, -0.0000255300000000, 0.0001558500000000 ] - [ 0.0002368500000000, 0.0003975000000000, -0.0006488800000000 ] - [ 0.0007416800000000, -0.0002712000000000, -0.0003665800000000 ] - [ -0.0000640000000000, -0.0002863900000000, -0.0002030700000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000743700000000, -0.0003330900000000, 0.0000099800000000 ] - [ 0.0001403400000000, -0.0003211000000000, 0.0003887400000000 ] - [ 0.0002100000000000, -0.0006081800000000, -0.0001412900000000 ] - [ -0.0004137800000000, -0.0006200700000000, -0.0002332400000000 ] - [ 0.0013492100000000, -0.0009362800000000, 0.0014001300000000 ] - [ -0.0002407100000000, -0.0005976500000000, 0.0006012400000000 ] - [ -0.0002713000000000, -0.0004806400000000, 0.0003538900000000 ] - [ 0.0000978400000000, -0.0003139200000000, 0.0001424400000000 ] - [ -0.0004062300000000, -0.0062435200000000, -0.0013147100000000 ] - [ 0.0030959800000000, -0.0022235900000000, 0.0035554100000000 ] - [ 0.0000518300000000, -0.0049849500000000, 0.0016621800000000 ] - [ 0.0018633300000000, 0.0143001700000000, 0.0057550000000000 ] - [ -0.0016534800000000, 0.0006460000000000, 0.0006560500000000 ] - [ -0.0000996900000000, -0.0008229900000000, 0.0001753500000000 ] - [ 0.0001040600000000, -0.0002530400000000, -0.0002807500000000 ] - [ 0.0003696000000000, -0.0004347500000000, 0.0003640400000000 ] - [ -0.0008911500000000, -0.0015884100000000, -0.0011583800000000 ] - [ -0.0076000000000000, 0.0378005500000000, -0.0053675600000000 ] - [ 0.0009964300000000, 0.0006957500000000, -0.0009533200000000 ] - [ -0.0034294400000000, 0.0024119100000000, 0.0000542600000000 ] - [ -0.0002682200000000, -0.0005293500000000, -0.0006616800000000 ] - [ 0.0000977700000000, -0.0008236700000000, -0.0000370500000000 ] - [ 0.0000005200000000, -0.0002659500000000, -0.0001342500000000 ] - [ -0.0001158500000000, 0.0002673700000000, 0.0000479700000000 ] - [ 0.0024559200000000, 0.0012278000000000, -0.0002714400000000 ] - [ -0.0001061600000000, 0.0012880500000000, -0.0004470200000000 ] - [ 0.0000469700000000, 0.0001587200000000, 0.0002447000000000 ] - [ -0.0001067700000000, -0.0003011700000000, 0.0003975600000000 ] - [ -0.0010164100000000, -0.0019228500000000, -0.0012624100000000 ] - [ 0.0005396600000000, 0.0000738000000000, -0.0005065300000000 ] - [ -0.0002225600000000, 0.0002547200000000, -0.0006240000000000 ] - [ 0.0003783900000000, 0.0017299000000000, 0.0003917700000000 ] - [ 0.0004191000000000, -0.0003979600000000, 0.0004272700000000 ] - [ -0.0009433500000000, 0.0015926100000000, 0.0000395500000000 ] - [ 0.0011060600000000, 0.0010445400000000, 0.0006679400000000 ] - [ -0.0000093000000000, 0.0000967600000000, 0.0006212700000000 ] - [ -0.0008292100000000, 0.0009356900000000, -0.0006873900000000 ] - [ 0.0008090300000000, -0.0018757600000000, 0.0003557200000000 ] - [ 0.0020871500000000, -0.0017616300000000, -0.0017900300000000 ] - [ -0.0003938300000000, -0.0004002500000000, -0.0001437600000000 ] - [ 0.0012434700000000, -0.0025174300000000, 0.0000237500000000 ] - [ 0.0007738000000000, 0.0009173500000000, 0.0009876100000000 ] - [ -0.0242319800000000, 0.0448317300000000, -0.0289391000000000 ] - [ -0.0009559400000000, -0.0000620100000000, -0.0001087500000000 ] - [ 0.0006020900000000, -0.0004051400000000, 0.0003486100000000 ] - [ -0.0000715600000000, -0.0028290900000000, 0.0007068200000000 ] - [ -0.0016905800000000, 0.0132118600000000, -0.0004980600000000 ] - [ 0.0003061600000000, 0.0000401000000000, -0.0002657400000000 ] - [ -0.0005388000000000, -0.0005950700000000, 0.0001040200000000 ] - [ 0.0003330000000000, -0.0007676800000000, -0.0008387700000000 ] - [ 0.0002383600000000, 0.0003428000000000, 0.0004258200000000 ] - [ -0.0005604700000000, 0.0020184100000000, 0.0009709200000000 ] - [ -0.0003764900000000, -0.0001253200000000, -0.0005575400000000 ] - [ -0.0014730200000000, -0.0006031300000000, -0.0005903600000000 ] - [ 0.0000768600000000, -0.0001621300000000, 0.0000402700000000 ] - [ -0.0003647400000000, 0.0019722000000000, 0.0004049000000000 ] - [ -0.0000408700000000, -0.0002801100000000, -0.0001853800000000 ] - [ 0.0006085000000000, -0.0000231600000000, -0.0003725400000000 ] - [ 0.0001331700000000, 0.0002395600000000, -0.0001301400000000 ] - [ -0.0002889800000000, 0.0006365600000000, -0.0002907200000000 ] - [ 0.0002595000000000, 0.0002900300000000, 0.0002137100000000 ] - [ -0.0002493600000000, -0.0008457100000000, 0.0003959500000000 ] - [ -0.0007200800000000, 0.0008475000000000, -0.0003148300000000 ] - [ 0.0001240200000000, 0.0002306100000000, -0.0000955900000000 ] - [ 0.0000891200000000, 0.0007284500000000, -0.0002381700000000 ] - [ 0.0341182100000000, -0.1174875400000000, 0.0338965700000000 ] - [ 0.0008837400000000, 0.0000509900000000, 0.0003240500000000 ] - [ 0.0001593400000000, -0.0006614600000000, 0.0003489900000000 ] - [ -0.0002906100000000, 0.0004385700000000, -0.0006392300000000 ] - [ -0.0004245600000000, -0.0015980600000000, -0.0006864700000000 ] - [ 0.0001317500000000, -0.0015417000000000, 0.0024100800000000 ] - [ 0.0062253400000000, -0.0028678700000000, 0.0099980800000000 ] - [ 0.0003741400000000, -0.0001008900000000, -0.0000344300000000 ] - [ -0.0074444800000000, 0.0125667500000000, 0.0043629600000000 ] - [ -0.0002237400000000, 0.0003081200000000, -0.0000006800000000 ] - [ 0.0001649800000000, -0.0003351000000000, -0.0000918900000000 ] - [ -0.0001920700000000, 0.0013859500000000, -0.0000362200000000 ] - [ 0.0002446100000000, 0.0002907900000000, -0.0000984900000000 ] - [ 0.0000338800000000, -0.0002680800000000, 0.0000493400000000 ] - [ 0.0001053500000000, 0.0021202600000000, -0.0008902300000000 ] - [ 0.0002818700000000, 0.0002730500000000, -0.0007199900000000 ] - [ -0.0005847700000000, 0.0002027500000000, -0.0008323700000000 ] - [ -0.0000713100000000, -0.0002371600000000, 0.0000637900000000 ] - [ -0.0001003800000000, -0.0002107100000000, -0.0005061300000000 ] - [ -0.0000843200000000, 0.0010869700000000, 0.0013528200000000 ] - [ 0.0001285400000000, -0.0001370600000000, 0.0001364500000000 ] - [ 0.0001327600000000, -0.0022133700000000, 0.0001269300000000 ] - [ 0.0002289700000000, -0.0002415800000000, -0.0000852400000000 ] - [ -0.0003596400000000, 0.0001777500000000, -0.0000720600000000 ] - [ -0.0003318100000000, -0.0000643300000000, -0.0002687300000000 ] - [ 0.0129743600000000, 0.0016550200000000, -0.0016146200000000 ] - [ -0.0004048900000000, 0.0009076300000000, 0.0008962400000000 ] - [ -0.0028449300000000, -0.0063743800000000, -0.0011704500000000 ] - [ 0.0097882300000000, 0.0145065500000000, -0.0052524000000000 ] - [ -0.0000711100000000, 0.0002568400000000, -0.0000755700000000 ] - [ -0.0003027400000000, 0.0001639800000000, -0.0007780500000000 ] - [ 0.0003568300000000, 0.0000218900000000, 0.0000942200000000 ] - [ 0.0003082200000000, -0.0001285500000000, -0.0000097600000000 ] - [ 0.0003793500000000, 0.0001780100000000, 0.0007977900000000 ] - [ -0.0017914100000000, 0.0033843900000000, 0.0011776100000000 ] - [ 0.0000788600000000, -0.0002296000000000, 0.0005824000000000 ] - [ 0.0002591300000000, -0.0008908000000000, -0.0005331700000000 ] - [ 0.0000729600000000, -0.0002295100000000, 0.0003971400000000 ] - [ -0.0004177300000000, 0.0001729300000000, -0.0009734200000000 ] - [ -0.0004764100000000, 0.0010495300000000, 0.0004414100000000 ] - [ 0.0000310600000000, 0.0004958600000000, -0.0001102400000000 ] - [ -0.0000596800000000, -0.0002380200000000, -0.0002096900000000 ] - [ -0.0134213800000000, -0.0030726000000000, 0.0030600300000000 ] - [ -0.0004323100000000, 0.0004472500000000, 0.0005517400000000 ] - [ -0.0002754500000000, 0.0000064900000000, 0.0000388100000000 ] - [ 0.0001691800000000, -0.0003580600000000, 0.0004639900000000 ] - [ 0.0003742700000000, -0.0008303100000000, 0.0004642200000000 ] - [ -0.0002213700000000, -0.0006550200000000, -0.0005125900000000 ] - [ -0.0005655400000000, 0.0003822000000000, 0.0000171900000000 ] - [ -0.0091170000000000, 0.0082242100000000, -0.0161623000000000 ] - [ 0.0013622900000000, -0.0029580800000000, -0.0016029700000000 ] - [ -0.0005556400000000, -0.0000686000000000, 0.0001478800000000 ] - [ 0.0004903200000000, 0.0015300900000000, -0.0017388400000000 ] - [ 0.0002628700000000, -0.0004523600000000, 0.0000791400000000 ] - [ 0.0004425900000000, -0.0004087900000000, -0.0000679600000000 ]- atom: 66 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002213000000000, -0.0001671700000000, -0.0000719000000000 ] - [ 0.0000782100000000, -0.0003921600000000, 0.0001008500000000 ] - [ 0.0003200000000000, -0.0003508600000000, -0.0004420000000000 ] - [ -0.0003113600000000, -0.0002229200000000, -0.0003561300000000 ] - [ -0.0011249900000000, 0.0016487100000000, -0.0009011900000000 ] - [ -0.0000504900000000, -0.0005952100000000, 0.0004045500000000 ] - [ -0.0002645100000000, -0.0004755100000000, 0.0002292900000000 ] - [ 0.0000562500000000, -0.0001849300000000, -0.0000582000000000 ] - [ 0.0001808400000000, 0.0078939600000000, 0.0014568900000000 ] - [ -0.0032555700000000, 0.0019228400000000, -0.0038819700000000 ] - [ -0.0003332000000000, 0.0061816700000000, -0.0006376500000000 ] - [ -0.0014641700000000, -0.0141344400000000, -0.0058225900000000 ] - [ 0.0014411600000000, 0.0000539400000000, -0.0011449600000000 ] - [ -0.0001220300000000, -0.0008185900000000, -0.0000126500000000 ] - [ 0.0001346900000000, -0.0003794600000000, -0.0003486700000000 ] - [ 0.0003564000000000, -0.0004097200000000, 0.0002329100000000 ] - [ 0.0010341300000000, 0.0020884200000000, 0.0012246300000000 ] - [ 0.0064853600000000, -0.0345643400000000, 0.0053103300000000 ] - [ -0.0011581800000000, -0.0001872100000000, 0.0008761800000000 ] - [ 0.0035477900000000, -0.0026944600000000, 0.0002428000000000 ] - [ 0.0005604300000000, -0.0006602300000000, -0.0003379800000000 ] - [ 0.0001243800000000, -0.0008153000000000, -0.0001197400000000 ] - [ -0.0002262100000000, -0.0004459300000000, -0.0003641600000000 ] - [ -0.0000243000000000, 0.0000349900000000, -0.0003526700000000 ] - [ -0.0030060800000000, -0.0002971300000000, 0.0008410900000000 ] - [ 0.0003966900000000, -0.0000996800000000, -0.0005514000000000 ] - [ 0.0000964100000000, 0.0001412700000000, 0.0000711000000000 ] - [ -0.0001324400000000, -0.0003312700000000, 0.0002368700000000 ] - [ 0.0015592800000000, 0.0029051900000000, 0.0006907300000000 ] - [ -0.0002972700000000, 0.0005524300000000, -0.0001280900000000 ] - [ -0.0004986900000000, 0.0005955200000000, 0.0000281300000000 ] - [ -0.0001377800000000, -0.0000804000000000, -0.0005400400000000 ] - [ 0.0004104500000000, -0.0004082100000000, 0.0002201000000000 ] - [ -0.0009886800000000, -0.0009464500000000, -0.0001965800000000 ] - [ -0.0012994000000000, -0.0007327100000000, 0.0003358000000000 ] - [ -0.0001764700000000, -0.0004133000000000, 0.0003820200000000 ] - [ -0.0008179600000000, 0.0009253300000000, -0.0009439800000000 ] - [ 0.0011249700000000, 0.0025331100000000, -0.0001932900000000 ] - [ -0.0028820700000000, 0.0025720200000000, 0.0011297500000000 ] - [ -0.0004368300000000, -0.0004058000000000, -0.0004928400000000 ] - [ 0.0003975400000000, 0.0006628000000000, 0.0015997000000000 ] - [ 0.0008731600000000, 0.0009442000000000, 0.0006520600000000 ] - [ 0.0221210700000000, -0.0461366400000000, 0.0266652500000000 ] - [ -0.0009793600000000, -0.0005871900000000, -0.0000407900000000 ] - [ 0.0013186000000000, -0.0002432000000000, -0.0001899900000000 ] - [ 0.0002673200000000, 0.0025151800000000, -0.0017123100000000 ] - [ 0.0024868600000000, -0.0124113500000000, 0.0010924900000000 ] - [ -0.0001190400000000, 0.0002756700000000, -0.0007277700000000 ] - [ 0.0000021800000000, 0.0001223000000000, -0.0001031800000000 ] - [ 0.0008662200000000, 0.0006642500000000, 0.0002521700000000 ] - [ 0.0004821100000000, -0.0001753200000000, 0.0006655400000000 ] - [ 0.0007628200000000, -0.0025328800000000, -0.0009451400000000 ] - [ -0.0003463300000000, -0.0000423800000000, -0.0005399500000000 ] - [ 0.0016381600000000, 0.0010730300000000, 0.0003298200000000 ] - [ 0.0004016400000000, 0.0000040200000000, -0.0002356500000000 ] - [ 0.0007347800000000, -0.0006671400000000, 0.0005153500000000 ] - [ -0.0000169900000000, -0.0002997500000000, -0.0000407800000000 ] - [ 0.0005904600000000, 0.0001282400000000, -0.0002191500000000 ] - [ 0.0000641600000000, 0.0002661700000000, 0.0001440000000000 ] - [ -0.0007190400000000, -0.0012678200000000, 0.0002610600000000 ] - [ 0.0004620100000000, -0.0004589700000000, 0.0008823700000000 ] - [ -0.0002607800000000, -0.0008937200000000, 0.0005197600000000 ] - [ 0.0000308200000000, -0.0007945800000000, -0.0000286500000000 ] - [ 0.0000706000000000, 0.0002956200000000, -0.0000387600000000 ] - [ -0.0005974200000000, -0.0001733500000000, 0.0000838900000000 ] - [ -0.0316775300000000, 0.1147487400000000, -0.0303333400000000 ] - [ -0.0007661800000000, 0.0004433700000000, -0.0000534200000000 ] - [ 0.0002146300000000, -0.0006469300000000, 0.0005674300000000 ] - [ -0.0001520900000000, -0.0000550000000000, -0.0004317700000000 ] - [ -0.0003005900000000, 0.0017647700000000, -0.0003949000000000 ] - [ 0.0008656300000000, 0.0021621600000000, -0.0023882800000000 ] - [ -0.0055278900000000, 0.0028924900000000, -0.0095816600000000 ] - [ 0.0001329900000000, 0.0006576700000000, 0.0001861000000000 ] - [ 0.0074132100000000, -0.0122047700000000, -0.0047052500000000 ] - [ -0.0002309800000000, 0.0002890800000000, 0.0001198300000000 ] - [ -0.0000047600000000, -0.0001273100000000, -0.0001681800000000 ] - [ 0.0000279400000000, -0.0009653200000000, -0.0008596100000000 ] - [ 0.0002100400000000, 0.0003069600000000, -0.0000234400000000 ] - [ 0.0000238400000000, -0.0003096100000000, 0.0001714500000000 ] - [ 0.0004399900000000, -0.0016331500000000, 0.0009079000000000 ] - [ -0.0007789200000000, -0.0008329800000000, 0.0005549800000000 ] - [ -0.0002280900000000, -0.0005719800000000, -0.0009065500000000 ] - [ -0.0000893400000000, -0.0002256700000000, 0.0001932400000000 ] - [ -0.0000557700000000, -0.0001980900000000, -0.0004038300000000 ] - [ -0.0004222500000000, 0.0006414200000000, -0.0004282200000000 ] - [ 0.0000020100000000, -0.0003604300000000, 0.0001357200000000 ] - [ 0.0003071900000000, 0.0016159100000000, -0.0002332300000000 ] - [ 0.0003076300000000, -0.0002322400000000, 0.0000801000000000 ] - [ -0.0001747200000000, 0.0002975100000000, 0.0000736500000000 ] - [ -0.0003645100000000, 0.0000087000000000, -0.0000867600000000 ] - [ -0.0130371600000000, -0.0010825600000000, 0.0018428000000000 ] - [ 0.0002165200000000, -0.0014484900000000, -0.0007746800000000 ] - [ 0.0025768400000000, 0.0058831500000000, 0.0011206800000000 ] - [ -0.0098374400000000, -0.0139081600000000, 0.0054487100000000 ] - [ -0.0001266000000000, 0.0002501600000000, 0.0000576000000000 ] - [ -0.0001439900000000, -0.0005505000000000, -0.0002950800000000 ] - [ 0.0003394600000000, -0.0000735600000000, 0.0002554900000000 ] - [ 0.0001668300000000, 0.0002831900000000, -0.0001830400000000 ] - [ 0.0004349600000000, 0.0001888800000000, 0.0009446500000000 ] - [ 0.0013026100000000, -0.0039288900000000, -0.0010433200000000 ] - [ 0.0003672300000000, 0.0006142300000000, 0.0004852400000000 ] - [ 0.0002511800000000, -0.0008510300000000, -0.0003869300000000 ] - [ 0.0000831700000000, -0.0001822400000000, 0.0005075100000000 ] - [ -0.0003965800000000, 0.0001940500000000, -0.0007720900000000 ] - [ 0.0000170200000000, -0.0008715600000000, -0.0002367300000000 ] - [ -0.0002219000000000, 0.0000359700000000, 0.0002381700000000 ] - [ -0.0000709900000000, -0.0002596500000000, -0.0000668900000000 ] - [ 0.0134937200000000, 0.0034585500000000, -0.0021346200000000 ] - [ 0.0003709400000000, 0.0001250000000000, -0.0007677700000000 ] - [ -0.0002006100000000, -0.0001646100000000, 0.0001506600000000 ] - [ 0.0002776700000000, -0.0000258400000000, 0.0006089900000000 ] - [ -0.0001820000000000, 0.0003011500000000, -0.0005927600000000 ] - [ -0.0001533000000000, -0.0006530600000000, -0.0004091000000000 ] - [ -0.0004345200000000, 0.0002472600000000, -0.0000430000000000 ] - [ 0.0097477000000000, -0.0066385500000000, 0.0155236000000000 ] - [ -0.0016924200000000, 0.0042845600000000, 0.0006421000000000 ] - [ -0.0006394500000000, 0.0001676300000000, 0.0004370100000000 ] - [ -0.0016922800000000, -0.0016360600000000, 0.0023335500000000 ] - [ 0.0002464400000000, -0.0001047700000000, 0.0000717400000000 ] - [ 0.0005564900000000, -0.0002227400000000, 0.0000888400000000 ]- atom: 66 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ 0.0004489200000000, -0.0003680400000000, -0.0011881600000000 ] - [ -0.0001600100000000, -0.0003587000000000, -0.0009492000000000 ] - [ 0.0000399700000000, -0.0005296700000000, -0.0009931200000000 ] - [ -0.0005622800000000, -0.0010373100000000, -0.0014394500000000 ] - [ 0.0005086400000000, -0.0000811400000000, 0.0026313700000000 ] - [ 0.0001408900000000, -0.0005764400000000, -0.0004577300000000 ] - [ -0.0001706800000000, -0.0006813100000000, -0.0007798500000000 ] - [ -0.0001419100000000, -0.0002691700000000, -0.0011552700000000 ] - [ -0.0009413000000000, 0.0023311700000000, 0.0054407600000000 ] - [ -0.0018218100000000, 0.0010673200000000, -0.0018306900000000 ] - [ -0.0000724600000000, 0.0003111700000000, -0.0011244700000000 ] - [ -0.0012614400000000, 0.0023844000000000, 0.0054868200000000 ] - [ 0.0002596200000000, 0.0024229700000000, -0.0019572400000000 ] - [ -0.0000726100000000, -0.0007898400000000, -0.0008113300000000 ] - [ -0.0000613900000000, 0.0000733200000000, -0.0016310100000000 ] - [ 0.0003893000000000, -0.0003740700000000, -0.0007416600000000 ] - [ 0.0005360500000000, 0.0003555600000000, 0.0018454000000000 ] - [ -0.0012827500000000, 0.0014982400000000, 0.0056608400000000 ] - [ 0.0011358000000000, -0.0017913900000000, -0.0022556800000000 ] - [ 0.0040458700000000, 0.0014860300000000, 0.0019916900000000 ] - [ -0.0017592900000000, -0.0007227500000000, -0.0020829500000000 ] - [ 0.0000515400000000, -0.0008894900000000, -0.0011785700000000 ] - [ 0.0004241800000000, -0.0001929000000000, -0.0014005900000000 ] - [ -0.0002955700000000, 0.0002785500000000, -0.0008688600000000 ] - [ 0.0028079600000000, -0.0010741800000000, 0.0021646600000000 ] - [ -0.0002352500000000, 0.0008630700000000, -0.0012277200000000 ] - [ 0.0001430300000000, 0.0003126000000000, -0.0009470500000000 ] - [ -0.0000767600000000, -0.0004105900000000, -0.0005471500000000 ] - [ -0.0017414600000000, -0.0030094700000000, -0.0016535500000000 ] - [ 0.0004317400000000, 0.0009037900000000, 0.0000998200000000 ] - [ -0.0003667300000000, -0.0003091300000000, -0.0002678300000000 ] - [ 0.0006875800000000, 0.0011982700000000, 0.0024647600000000 ] - [ 0.0005661800000000, -0.0004628500000000, -0.0014612000000000 ] - [ 0.0002591900000000, 0.0002937000000000, 0.0004840000000000 ] - [ 0.0026306800000000, -0.0001786700000000, -0.0052763300000000 ] - [ 0.0002871200000000, -0.0001306200000000, -0.0013785100000000 ] - [ -0.0007241900000000, 0.0009020700000000, -0.0022782300000000 ] - [ 0.0010301900000000, -0.0001931000000000, -0.0019410600000000 ] - [ -0.0004059800000000, 0.0004231400000000, 0.0021553000000000 ] - [ -0.0003272400000000, -0.0003343200000000, -0.0020157800000000 ] - [ 0.0001066400000000, -0.0009388100000000, 0.0042415900000000 ] - [ 0.0007844700000000, 0.0009289400000000, -0.0007295000000000 ] - [ 0.0458476200000000, -0.0163228400000000, 0.0930104600000000 ] - [ -0.0011778200000000, -0.0002635700000000, -0.0025123200000000 ] - [ 0.0020903100000000, -0.0002587900000000, 0.0000141200000000 ] - [ -0.0006869900000000, 0.0002248300000000, -0.0009231100000000 ] - [ 0.0103383500000000, 0.0024331200000000, 0.0088236800000000 ] - [ -0.0001570200000000, 0.0000611200000000, -0.0017880400000000 ] - [ -0.0009350000000000, -0.0013277000000000, 0.0018476900000000 ] - [ -0.0004051600000000, -0.0005831100000000, -0.0010915400000000 ] - [ 0.0007964200000000, 0.0001721100000000, 0.0010977200000000 ] - [ 0.0012907200000000, -0.0006555900000000, -0.0021112400000000 ] - [ -0.0002275200000000, -0.0001307500000000, 0.0004175100000000 ] - [ 0.0010232700000000, 0.0004899400000000, -0.0005128300000000 ] - [ -0.0005114300000000, 0.0011448400000000, 0.0014124900000000 ] - [ -0.0002963600000000, 0.0008135200000000, -0.0009296600000000 ] - [ -0.0001963300000000, 0.0001263300000000, 0.0008312700000000 ] - [ 0.0005329500000000, -0.0003168500000000, 0.0006384200000000 ] - [ 0.0000370700000000, 0.0002952100000000, 0.0008044700000000 ] - [ 0.0001427600000000, -0.0002807100000000, 0.0004203600000000 ] - [ 0.0006461100000000, -0.0001177700000000, 0.0009488500000000 ] - [ -0.0002027900000000, -0.0009619200000000, 0.0012668800000000 ] - [ -0.0008725000000000, 0.0007257800000000, -0.0018839400000000 ] - [ 0.0000426100000000, 0.0006681900000000, 0.0008900600000000 ] - [ -0.0009634400000000, 0.0003524300000000, 0.0006946900000000 ] - [ -0.0384132800000000, 0.0138568700000000, -0.1243658600000000 ] - [ 0.0018960700000000, 0.0003188600000000, 0.0001538500000000 ] - [ 0.0004711000000000, -0.0006492600000000, 0.0015485800000000 ] - [ -0.0004226300000000, 0.0001221100000000, -0.0010141500000000 ] - [ -0.0057651600000000, 0.0007410200000000, 0.0042676200000000 ] - [ 0.0008976700000000, 0.0003017700000000, 0.0100132100000000 ] - [ 0.0082299100000000, 0.0037852100000000, 0.0088183500000000 ] - [ 0.0007074100000000, 0.0002383200000000, -0.0001544500000000 ] - [ -0.0030877400000000, 0.0057306700000000, -0.0008408100000000 ] - [ -0.0005835000000000, 0.0001769900000000, 0.0007435400000000 ] - [ 0.0004263700000000, -0.0005109000000000, 0.0008473200000000 ] - [ -0.0005108400000000, -0.0007308800000000, -0.0013777800000000 ] - [ -0.0000653600000000, 0.0004399700000000, 0.0007213800000000 ] - [ -0.0000539100000000, -0.0005869100000000, 0.0009625200000000 ] - [ 0.0013836000000000, -0.0005770800000000, -0.0001424600000000 ] - [ -0.0011549200000000, -0.0002376400000000, 0.0004644600000000 ] - [ -0.0008328600000000, -0.0002967800000000, -0.0019708000000000 ] - [ -0.0002029700000000, -0.0002120400000000, 0.0008315000000000 ] - [ -0.0001620700000000, -0.0006336600000000, 0.0003644100000000 ] - [ -0.0007307400000000, 0.0003547700000000, -0.0011910500000000 ] - [ 0.0004770700000000, 0.0001305700000000, 0.0011642900000000 ] - [ -0.0013600700000000, -0.0005470400000000, -0.0015110200000000 ] - [ 0.0003437100000000, 0.0000373400000000, 0.0007572100000000 ] - [ -0.0008641500000000, 0.0001678300000000, 0.0009103600000000 ] - [ -0.0003443800000000, 0.0003329700000000, 0.0006520800000000 ] - [ -0.0003335300000000, -0.0023827700000000, -0.0053513900000000 ] - [ -0.0008234300000000, 0.0010794300000000, 0.0015803100000000 ] - [ -0.0056660700000000, 0.0002154600000000, -0.0099757900000000 ] - [ -0.0029547400000000, -0.0048145100000000, -0.0009238700000000 ] - [ -0.0001938800000000, 0.0002216900000000, 0.0009249300000000 ] - [ 0.0002172600000000, -0.0001457200000000, 0.0006403200000000 ] - [ 0.0003788400000000, -0.0003225600000000, 0.0009065500000000 ] - [ -0.0001547100000000, 0.0001038700000000, 0.0007558700000000 ] - [ 0.0005751400000000, 0.0002351000000000, 0.0016668500000000 ] - [ 0.0003611300000000, 0.0001765200000000, -0.0013207400000000 ] - [ 0.0005876500000000, 0.0000513600000000, 0.0023379100000000 ] - [ 0.0003175000000000, -0.0007937000000000, 0.0002276900000000 ] - [ 0.0000975700000000, 0.0001055900000000, 0.0011976800000000 ] - [ -0.0001450600000000, 0.0000975500000000, -0.0000474700000000 ] - [ 0.0002765700000000, -0.0003658100000000, -0.0007245000000000 ] - [ -0.0004079500000000, 0.0001774200000000, 0.0003583700000000 ] - [ -0.0000797700000000, -0.0002192500000000, 0.0006065200000000 ] - [ -0.0042499100000000, 0.0031819800000000, -0.0038839500000000 ] - [ -0.0003344000000000, 0.0011601600000000, -0.0009305800000000 ] - [ -0.0002105400000000, -0.0002446600000000, 0.0007299700000000 ] - [ -0.0004773700000000, -0.0001710000000000, 0.0010824600000000 ] - [ -0.0007178900000000, 0.0002951000000000, -0.0007717800000000 ] - [ -0.0000701300000000, -0.0006488600000000, 0.0005879200000000 ] - [ -0.0005231400000000, 0.0004411600000000, 0.0004325200000000 ] - [ 0.0055720900000000, -0.0054963500000000, 0.0023161600000000 ] - [ -0.0114540100000000, -0.0013224100000000, 0.0099451300000000 ] - [ -0.0008936900000000, 0.0001233600000000, 0.0006045200000000 ] - [ -0.0009460900000000, -0.0005361100000000, 0.0013255300000000 ] - [ 0.0002697400000000, -0.0003578900000000, 0.0007991500000000 ] - [ 0.0003142400000000, -0.0002154100000000, 0.0007881800000000 ]- atom: 66 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ -0.0005948500000000, -0.0001280000000000, 0.0011221700000000 ] - [ 0.0003747900000000, -0.0003544200000000, 0.0014337700000000 ] - [ 0.0004892800000000, -0.0004278000000000, 0.0004060300000000 ] - [ -0.0001614800000000, 0.0001954900000000, 0.0008434400000000 ] - [ -0.0002838300000000, 0.0007958700000000, -0.0021339600000000 ] - [ -0.0004294500000000, -0.0006157700000000, 0.0014593700000000 ] - [ -0.0003630200000000, -0.0002758900000000, 0.0013566000000000 ] - [ 0.0002938600000000, -0.0002294200000000, 0.0012344400000000 ] - [ 0.0007196600000000, -0.0006854400000000, -0.0052638000000000 ] - [ 0.0016704500000000, -0.0013722700000000, 0.0015151900000000 ] - [ -0.0002186400000000, 0.0008811800000000, 0.0021128100000000 ] - [ 0.0018217700000000, -0.0017136300000000, -0.0049551100000000 ] - [ -0.0004828000000000, -0.0016869100000000, 0.0014585700000000 ] - [ -0.0001479600000000, -0.0008517200000000, 0.0009701400000000 ] - [ 0.0003019300000000, -0.0007050000000000, 0.0009982600000000 ] - [ 0.0003359900000000, -0.0004707700000000, 0.0013343000000000 ] - [ -0.0003940800000000, 0.0001394700000000, -0.0017835200000000 ] - [ 0.0010545000000000, -0.0010909000000000, -0.0049898300000000 ] - [ -0.0012906900000000, 0.0022685300000000, 0.0021599400000000 ] - [ -0.0039068700000000, -0.0017944200000000, -0.0017070900000000 ] - [ 0.0020510400000000, -0.0004659900000000, 0.0010796300000000 ] - [ 0.0001700500000000, -0.0007494200000000, 0.0010181300000000 ] - [ -0.0006499400000000, -0.0005231300000000, 0.0008981600000000 ] - [ 0.0001556500000000, 0.0000241600000000, 0.0005608400000000 ] - [ -0.0033356600000000, 0.0020280500000000, -0.0016021100000000 ] - [ 0.0005222600000000, 0.0003315300000000, 0.0002271600000000 ] - [ 0.0000022000000000, -0.0000106900000000, 0.0012565700000000 ] - [ -0.0001627200000000, -0.0002208000000000, 0.0011788900000000 ] - [ 0.0022596100000000, 0.0039424400000000, 0.0010683300000000 ] - [ -0.0001842200000000, -0.0002697400000000, -0.0007285700000000 ] - [ -0.0003548200000000, 0.0011503900000000, -0.0003232300000000 ] - [ -0.0004509600000000, 0.0004530500000000, -0.0025967200000000 ] - [ 0.0002636800000000, -0.0003434600000000, 0.0021025100000000 ] - [ -0.0022041100000000, 0.0003546900000000, -0.0006494000000000 ] - [ -0.0027914300000000, 0.0004980500000000, 0.0062887800000000 ] - [ -0.0004681800000000, -0.0001847200000000, 0.0023673800000000 ] - [ -0.0009245500000000, 0.0009579700000000, 0.0006423100000000 ] - [ 0.0009049500000000, 0.0008353500000000, 0.0020975300000000 ] - [ -0.0004276300000000, 0.0003838900000000, -0.0027820500000000 ] - [ -0.0005025900000000, -0.0004725700000000, 0.0013711500000000 ] - [ 0.0015377700000000, -0.0009180900000000, -0.0025929700000000 ] - [ 0.0008634100000000, 0.0009321400000000, 0.0023610200000000 ] - [ -0.0458182300000000, 0.0140243200000000, -0.0937409800000000 ] - [ -0.0007612000000000, -0.0003828500000000, 0.0023471600000000 ] - [ -0.0001504600000000, -0.0003880000000000, 0.0001393800000000 ] - [ 0.0008682300000000, -0.0005463400000000, -0.0000785000000000 ] - [ -0.0095170500000000, -0.0016354900000000, -0.0080644900000000 ] - [ 0.0003433900000000, 0.0002523800000000, 0.0007928800000000 ] - [ 0.0003992800000000, 0.0008569600000000, -0.0018472500000000 ] - [ 0.0016048300000000, 0.0004830100000000, 0.0005071000000000 ] - [ -0.0000769300000000, -0.0000034200000000, -0.0000068500000000 ] - [ -0.0010848700000000, 0.0001469900000000, 0.0021198300000000 ] - [ -0.0004941000000000, -0.0000376900000000, -0.0015134800000000 ] - [ -0.0008633000000000, -0.0000292500000000, 0.0002458200000000 ] - [ 0.0009867200000000, -0.0013082300000000, -0.0016061600000000 ] - [ 0.0006689300000000, 0.0004948900000000, 0.0018461600000000 ] - [ 0.0001385600000000, -0.0007042600000000, -0.0010540300000000 ] - [ 0.0006651500000000, 0.0004189300000000, -0.0012260300000000 ] - [ 0.0001624700000000, 0.0002106000000000, -0.0007884600000000 ] - [ -0.0011439700000000, -0.0003501200000000, -0.0004407400000000 ] - [ 0.0000759000000000, -0.0000497900000000, 0.0001500500000000 ] - [ -0.0003068500000000, -0.0007811600000000, -0.0003472600000000 ] - [ 0.0001757400000000, -0.0006702500000000, 0.0015257700000000 ] - [ 0.0001524300000000, -0.0001390900000000, -0.0010210100000000 ] - [ 0.0004581000000000, 0.0002054700000000, -0.0008465300000000 ] - [ 0.0376719300000000, -0.0133031300000000, 0.1248974800000000 ] - [ -0.0017560900000000, 0.0001791600000000, 0.0001166200000000 ] - [ -0.0000961700000000, -0.0006592000000000, -0.0006246700000000 ] - [ -0.0000248700000000, 0.0002629300000000, -0.0000570400000000 ] - [ 0.0051499300000000, -0.0005850600000000, -0.0054592200000000 ] - [ 0.0000807900000000, 0.0003283600000000, -0.0100961900000000 ] - [ -0.0073535100000000, -0.0036264800000000, -0.0082731300000000 ] - [ -0.0002052100000000, 0.0003184300000000, 0.0003079400000000 ] - [ 0.0029586800000000, -0.0052515700000000, 0.0005775800000000 ] - [ 0.0001237000000000, 0.0004197400000000, -0.0006207400000000 ] - [ -0.0002669000000000, 0.0000509800000000, -0.0011063600000000 ] - [ 0.0003536800000000, 0.0011348300000000, 0.0004629700000000 ] - [ 0.0005248300000000, 0.0001570600000000, -0.0008421100000000 ] - [ 0.0001120200000000, 0.0000080100000000, -0.0007367000000000 ] - [ -0.0008536200000000, 0.0010648600000000, 0.0001274200000000 ] - [ 0.0006451500000000, -0.0003194000000000, -0.0006117900000000 ] - [ 0.0000153100000000, -0.0000711100000000, 0.0002178800000000 ] - [ 0.0000425500000000, -0.0002482400000000, -0.0005705900000000 ] - [ 0.0000078900000000, 0.0002232800000000, -0.0012709500000000 ] - [ 0.0002191800000000, 0.0013770900000000, 0.0021027700000000 ] - [ -0.0003457800000000, -0.0006291700000000, -0.0008891800000000 ] - [ 0.0017919700000000, -0.0000498800000000, 0.0013797800000000 ] - [ 0.0001942300000000, -0.0005145400000000, -0.0007639200000000 ] - [ 0.0003192800000000, 0.0003045300000000, -0.0008987200000000 ] - [ -0.0003509300000000, -0.0003832100000000, -0.0010033100000000 ] - [ 0.0004122600000000, 0.0029610900000000, 0.0055535400000000 ] - [ 0.0006237800000000, -0.0016029700000000, -0.0014432100000000 ] - [ 0.0054100000000000, -0.0007118800000000, 0.0099250600000000 ] - [ 0.0027771700000000, 0.0052709300000000, 0.0012118900000000 ] - [ -0.0000084900000000, 0.0002847700000000, -0.0009370200000000 ] - [ -0.0006632100000000, -0.0002383200000000, -0.0017111700000000 ] - [ 0.0003159700000000, 0.0002705500000000, -0.0005521400000000 ] - [ 0.0006269400000000, 0.0000549300000000, -0.0009418600000000 ] - [ 0.0002398200000000, 0.0001323700000000, 0.0000816900000000 ] - [ -0.0008140900000000, -0.0007812400000000, 0.0014319800000000 ] - [ -0.0001362700000000, 0.0003336900000000, -0.0012574200000000 ] - [ 0.0001918700000000, -0.0009498400000000, -0.0011445900000000 ] - [ 0.0000583200000000, -0.0005135500000000, -0.0002873300000000 ] - [ -0.0006677000000000, 0.0002698500000000, -0.0016957900000000 ] - [ -0.0007436200000000, 0.0005292400000000, 0.0009229500000000 ] - [ 0.0002118700000000, 0.0003502600000000, -0.0002237500000000 ] - [ -0.0000510500000000, -0.0002793700000000, -0.0008790100000000 ] - [ 0.0044063100000000, -0.0027574100000000, 0.0047603000000000 ] - [ 0.0002744300000000, -0.0005764000000000, 0.0007003700000000 ] - [ -0.0002646200000000, 0.0000898300000000, -0.0005396200000000 ] - [ 0.0009297400000000, -0.0002127900000000, -0.0000136700000000 ] - [ 0.0009129100000000, -0.0008290300000000, 0.0006467300000000 ] - [ -0.0003031500000000, -0.0006580700000000, -0.0015058000000000 ] - [ -0.0004816600000000, 0.0001891300000000, -0.0004573700000000 ] - [ -0.0049722500000000, 0.0071190900000000, -0.0031775800000000 ] - [ 0.0108434500000000, 0.0025874600000000, -0.0105805500000000 ] - [ -0.0003064600000000, -0.0000199300000000, -0.0000134400000000 ] - [ -0.0002504600000000, 0.0004354400000000, -0.0007377900000000 ] - [ 0.0002366800000000, -0.0002003400000000, -0.0006456600000000 ] - [ 0.0006883500000000, -0.0004146000000000, -0.0007630100000000 ]- atom: 67 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ 0.0000719800000000, -0.0002521300000000, -0.0000977700000000 ] - [ 0.0002240200000000, -0.0004644700000000, 0.0008559700000000 ] - [ 0.0002122800000000, -0.0004605800000000, -0.0003620700000000 ] - [ -0.0004289000000000, -0.0004572900000000, -0.0003672300000000 ] - [ 0.0001312800000000, 0.0004811500000000, 0.0008422500000000 ] - [ -0.0014293500000000, -0.0010290000000000, -0.0004810900000000 ] - [ -0.0011698700000000, -0.0008242000000000, -0.0002279600000000 ] - [ 0.0000665700000000, -0.0002987400000000, 0.0006402300000000 ] - [ -0.0013840200000000, 0.0003503300000000, -0.0010895900000000 ] - [ 0.0000723200000000, 0.0007048500000000, -0.0003746800000000 ] - [ -0.0000656900000000, 0.0005154200000000, 0.0001720700000000 ] - [ -0.0005682500000000, -0.0002257600000000, -0.0000263300000000 ] - [ -0.0022150100000000, 0.0003173900000000, -0.0002108800000000 ] - [ -0.0000064800000000, -0.0009351000000000, -0.0003202300000000 ] - [ 0.0000429000000000, -0.0002876800000000, -0.0003729500000000 ] - [ 0.0014732800000000, -0.0011987700000000, -0.0006246100000000 ] - [ 0.0002446900000000, 0.0001381400000000, 0.0006089800000000 ] - [ -0.0011842300000000, 0.0012855500000000, 0.0000334500000000 ] - [ -0.0058714000000000, 0.0005113700000000, 0.0014822600000000 ] - [ 0.0010337400000000, 0.0006732700000000, -0.0001116900000000 ] - [ -0.0000297200000000, -0.0006002200000000, -0.0005964800000000 ] - [ -0.0000620100000000, -0.0007864100000000, -0.0001608000000000 ] - [ 0.0000231600000000, -0.0003478800000000, -0.0003110400000000 ] - [ -0.0001275100000000, 0.0001459500000000, -0.0002399900000000 ] - [ 0.0004198100000000, -0.0002804500000000, -0.0002978500000000 ] - [ 0.0093681300000000, 0.0070028900000000, -0.0058248300000000 ] - [ -0.0008274300000000, 0.0006565900000000, -0.0001226300000000 ] - [ 0.0004953800000000, -0.0000927300000000, 0.0002657500000000 ] - [ 0.0449624000000000, -0.0182893600000000, 0.0013899400000000 ] - [ 0.0016552500000000, -0.0000117300000000, -0.0011064700000000 ] - [ 0.0374445700000000, 0.0168729800000000, 0.0032223600000000 ] - [ 0.0065317700000000, -0.0008385500000000, -0.0044431400000000 ] - [ 0.0006082300000000, -0.0003002500000000, 0.0005121800000000 ] - [ -0.0007553700000000, 0.0004046600000000, 0.0000284800000000 ] - [ -0.0000649100000000, 0.0001378200000000, 0.0000240400000000 ] - [ -0.0006055200000000, 0.0073435600000000, -0.0042740900000000 ] - [ -0.0007947000000000, 0.0009186900000000, -0.0012435400000000 ] - [ -0.0017283100000000, 0.0021417400000000, 0.0022315300000000 ] - [ -0.0024139800000000, -0.0017992800000000, 0.0032471900000000 ] - [ -0.0001623200000000, -0.0003894900000000, -0.0002134400000000 ] - [ 0.0086464800000000, -0.0014449000000000, 0.0022846000000000 ] - [ 0.0005688600000000, 0.0008891800000000, 0.0008065300000000 ] - [ 0.0001068600000000, -0.0078510900000000, -0.0077128900000000 ] - [ -0.0060790600000000, 0.0000021300000000, 0.0005038100000000 ] - [ 0.0012358000000000, -0.0003193000000000, 0.0002060100000000 ] - [ -0.0001785600000000, -0.0001338000000000, -0.0004015900000000 ] - [ -0.0044794700000000, -0.0003684900000000, 0.0017950500000000 ] - [ 0.0092821200000000, -0.0007747800000000, 0.0026082200000000 ] - [ -0.0002799000000000, -0.0003341800000000, 0.0001895100000000 ] - [ 0.0004575800000000, -0.0002093200000000, -0.0004528900000000 ] - [ -0.0021517800000000, -0.0080696000000000, -0.0055000300000000 ] - [ -0.0011885100000000, -0.0040638600000000, 0.0036732100000000 ] - [ 0.0009977700000000, -0.0013621100000000, 0.0015329900000000 ] - [ -0.0061199400000000, 0.0027359800000000, 0.0012898900000000 ] - [ 0.0002049900000000, 0.0000170900000000, 0.0000664600000000 ] - [ 0.0002643900000000, 0.0008890700000000, -0.0005421900000000 ] - [ -0.0000901700000000, -0.0002700500000000, -0.0001006900000000 ] - [ 0.0020995800000000, 0.0004198100000000, -0.0009537300000000 ] - [ 0.0002420800000000, 0.0002768600000000, 0.0000742600000000 ] - [ -0.0003021400000000, -0.0002982900000000, 0.0000489000000000 ] - [ 0.0004069000000000, -0.0000939800000000, 0.0005343700000000 ] - [ -0.0001219900000000, -0.0008498500000000, 0.0003723900000000 ] - [ -0.0019334200000000, 0.0005210200000000, -0.0007542600000000 ] - [ 0.0011439900000000, 0.0000094300000000, -0.0005332600000000 ] - [ 0.0017400300000000, 0.0002366100000000, -0.0006012600000000 ] - [ 0.0021427700000000, 0.0006368400000000, 0.0038022000000000 ] - [ -0.1249188400000000, -0.0076752300000000, -0.0019902800000000 ] - [ 0.0001126200000000, -0.0006499200000000, 0.0002398400000000 ] - [ -0.0003292700000000, 0.0002004100000000, -0.0007543500000000 ] - [ -0.0003853100000000, 0.0000667800000000, -0.0000412200000000 ] - [ 0.0005951300000000, 0.0002982400000000, 0.0004085900000000 ] - [ 0.0104792100000000, 0.0091286700000000, 0.0100112000000000 ] - [ 0.0002844600000000, 0.0002549900000000, 0.0000084000000000 ] - [ -0.0000694000000000, 0.0004835900000000, 0.0003660500000000 ] - [ -0.0004833200000000, 0.0003287800000000, 0.0000988000000000 ] - [ 0.0001880100000000, -0.0002389600000000, -0.0000554100000000 ] - [ 0.0009137900000000, 0.0006609900000000, -0.0006826300000000 ] - [ 0.0002791600000000, 0.0002868400000000, -0.0001068800000000 ] - [ -0.0001649200000000, -0.0002356200000000, 0.0000008900000000 ] - [ 0.0004686600000000, 0.0002188500000000, -0.0001323400000000 ] - [ -0.0004644100000000, -0.0002676600000000, -0.0000033700000000 ] - [ -0.0022826400000000, 0.0072607800000000, -0.0052285000000000 ] - [ -0.0000672700000000, -0.0002189200000000, 0.0005402200000000 ] - [ -0.0001435200000000, -0.0002125800000000, -0.0004616600000000 ] - [ -0.0029145900000000, 0.0022081100000000, -0.0018087000000000 ] - [ 0.0001636100000000, -0.0002340000000000, 0.0001918300000000 ] - [ 0.0048195100000000, -0.0030924000000000, -0.0027892600000000 ] - [ -0.0014546800000000, -0.0004139700000000, -0.0009611200000000 ] - [ 0.0000818600000000, -0.0012361800000000, -0.0003057600000000 ] - [ -0.0001440500000000, -0.0000229500000000, -0.0002315500000000 ] - [ 0.0014640100000000, 0.0001140800000000, -0.0008327600000000 ] - [ 0.0027965200000000, -0.0022759600000000, -0.0004923000000000 ] - [ -0.0005159700000000, 0.0008908100000000, 0.0030502600000000 ] - [ -0.0002400700000000, 0.0000725000000000, 0.0005171000000000 ] - [ 0.0000279900000000, 0.0002509600000000, 0.0003551600000000 ] - [ 0.0001316400000000, -0.0003590300000000, -0.0012929100000000 ] - [ 0.0003515200000000, -0.0001237100000000, 0.0003578200000000 ] - [ 0.0094919300000000, -0.0049638900000000, 0.0058341200000000 ] - [ 0.0003554900000000, 0.0001202300000000, 0.0013093000000000 ] - [ 0.0018604800000000, -0.0001876800000000, -0.0009377100000000 ] - [ 0.0025055600000000, -0.0001634600000000, 0.0006650900000000 ] - [ 0.0002493800000000, -0.0008557200000000, -0.0002635000000000 ] - [ -0.0000397800000000, -0.0002683800000000, 0.0002694800000000 ] - [ -0.0003428800000000, 0.0001890400000000, -0.0008554100000000 ] - [ -0.0000674400000000, 0.0000114000000000, -0.0000901400000000 ] - [ -0.0001733200000000, 0.0002611400000000, 0.0000689200000000 ] - [ -0.0001044600000000, -0.0000849500000000, 0.0005578500000000 ] - [ 0.0009843200000000, 0.0003107200000000, -0.0000945300000000 ] - [ 0.0039527200000000, 0.0029600500000000, -0.0019081600000000 ] - [ -0.0019366600000000, -0.0003098400000000, -0.0009882600000000 ] - [ 0.0001114500000000, -0.0002061600000000, 0.0005301100000000 ] - [ -0.0001242300000000, -0.0002117900000000, -0.0001009800000000 ] - [ -0.0003107000000000, -0.0006602900000000, -0.0004674200000000 ] - [ -0.0022583800000000, 0.0046808300000000, 0.0042885000000000 ] - [ 0.0004762000000000, 0.0028569900000000, -0.0000729000000000 ] - [ 0.0025906200000000, 0.0009605700000000, -0.0004730000000000 ] - [ -0.0006756000000000, 0.0000575600000000, 0.0003042900000000 ] - [ 0.0005563300000000, -0.0004243700000000, 0.0000330400000000 ] - [ 0.0041847100000000, 0.0015624500000000, -0.0032139400000000 ] - [ 0.0003327900000000, -0.0017254700000000, 0.0033391400000000 ]- atom: 67 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ -0.0002182300000000, -0.0002465300000000, 0.0000319700000000 ] - [ -0.0000099000000000, -0.0002471700000000, -0.0003690800000000 ] - [ 0.0003191500000000, -0.0004978500000000, -0.0002244000000000 ] - [ -0.0002971700000000, -0.0003859500000000, -0.0002256100000000 ] - [ 0.0001019700000000, 0.0002312500000000, -0.0003405800000000 ] - [ 0.0011451000000000, -0.0001645100000000, 0.0014836700000000 ] - [ 0.0006344300000000, -0.0001345300000000, 0.0008041700000000 ] - [ 0.0000817200000000, -0.0002012300000000, -0.0005596000000000 ] - [ 0.0011535300000000, 0.0012904400000000, 0.0012478900000000 ] - [ -0.0002532400000000, -0.0010147600000000, 0.0000561500000000 ] - [ -0.0002264200000000, 0.0006751500000000, 0.0008296000000000 ] - [ 0.0012938700000000, 0.0010737000000000, 0.0006229800000000 ] - [ 0.0019953500000000, 0.0004010200000000, -0.0002774400000000 ] - [ -0.0002141700000000, -0.0007061600000000, 0.0004799600000000 ] - [ 0.0001945400000000, -0.0003442800000000, -0.0002592800000000 ] - [ -0.0007444300000000, 0.0003551600000000, 0.0012237100000000 ] - [ -0.0000944100000000, 0.0003612700000000, -0.0005427400000000 ] - [ 0.0009458900000000, -0.0006578100000000, 0.0006054500000000 ] - [ 0.0057118900000000, -0.0000119100000000, -0.0015631000000000 ] - [ -0.0009036300000000, -0.0009802500000000, 0.0004104900000000 ] - [ 0.0003219200000000, -0.0005898200000000, -0.0004053000000000 ] - [ 0.0002830100000000, -0.0008521100000000, 0.0000011600000000 ] - [ -0.0002492600000000, -0.0003650200000000, -0.0001915200000000 ] - [ -0.0000109800000000, 0.0001573100000000, -0.0000681500000000 ] - [ -0.0009535300000000, 0.0012396200000000, 0.0008789000000000 ] - [ -0.0089292300000000, -0.0057301500000000, 0.0047443200000000 ] - [ 0.0009700600000000, -0.0003540500000000, 0.0004336900000000 ] - [ -0.0007320300000000, -0.0005397000000000, 0.0003686300000000 ] - [ -0.0471711100000000, 0.0209253900000000, -0.0022438900000000 ] - [ -0.0013805900000000, 0.0006516600000000, 0.0004717800000000 ] - [ -0.0359958700000000, -0.0144250900000000, -0.0034656900000000 ] - [ -0.0064028000000000, 0.0027063100000000, 0.0045771400000000 ] - [ 0.0002160600000000, -0.0005052600000000, 0.0001322700000000 ] - [ -0.0011809300000000, 0.0002425800000000, -0.0001865600000000 ] - [ -0.0001264400000000, 0.0001755600000000, 0.0009746500000000 ] - [ 0.0004486500000000, -0.0076095700000000, 0.0052160600000000 ] - [ -0.0008484400000000, 0.0009433200000000, -0.0003926800000000 ] - [ 0.0036513200000000, -0.0015113600000000, -0.0020891800000000 ] - [ 0.0016011900000000, 0.0025839300000000, -0.0038708100000000 ] - [ -0.0006622200000000, -0.0004158600000000, -0.0004290100000000 ] - [ -0.0070012000000000, -0.0003924900000000, -0.0006533600000000 ] - [ 0.0010764700000000, 0.0009733200000000, 0.0008281800000000 ] - [ -0.0017973900000000, 0.0060274000000000, 0.0061108300000000 ] - [ 0.0041312600000000, -0.0006453500000000, -0.0006701100000000 ] - [ 0.0007006300000000, -0.0003290000000000, -0.0000522500000000 ] - [ 0.0003638300000000, -0.0001800100000000, -0.0005957700000000 ] - [ 0.0053166600000000, 0.0011801900000000, -0.0011380200000000 ] - [ -0.0090882000000000, 0.0010911200000000, -0.0035868000000000 ] - [ -0.0002561500000000, -0.0001407300000000, -0.0001896500000000 ] - [ 0.0007427900000000, 0.0001094100000000, -0.0001324700000000 ] - [ 0.0028903400000000, 0.0082774300000000, 0.0065902100000000 ] - [ 0.0013839300000000, 0.0035832500000000, -0.0036620700000000 ] - [ -0.0017252400000000, 0.0011841900000000, -0.0026160700000000 ] - [ 0.0063163400000000, -0.0021465300000000, -0.0015358600000000 ] - [ 0.0002704100000000, -0.0001754900000000, -0.0002606300000000 ] - [ 0.0001038100000000, 0.0004199400000000, 0.0014558200000000 ] - [ 0.0000312900000000, -0.0003090600000000, -0.0001202700000000 ] - [ -0.0008957900000000, -0.0003206400000000, 0.0003673700000000 ] - [ -0.0000430900000000, 0.0002292700000000, -0.0000581800000000 ] - [ -0.0006963800000000, -0.0003295100000000, -0.0000734900000000 ] - [ 0.0003152900000000, -0.0000740800000000, 0.0005608800000000 ] - [ -0.0003880400000000, -0.0008912800000000, 0.0005456800000000 ] - [ 0.0012386100000000, -0.0004717800000000, 0.0004015200000000 ] - [ -0.0009444000000000, 0.0005192000000000, 0.0004027600000000 ] - [ -0.0022494900000000, 0.0003234000000000, 0.0004560900000000 ] - [ -0.0013340700000000, -0.0010130900000000, -0.0020860000000000 ] - [ 0.1256325600000000, 0.0044063700000000, 0.0020048900000000 ] - [ 0.0002648700000000, -0.0006561600000000, 0.0006786400000000 ] - [ -0.0001173700000000, 0.0001825400000000, -0.0003145500000000 ] - [ -0.0003336300000000, 0.0001015500000000, -0.0010509900000000 ] - [ 0.0004070600000000, 0.0003306400000000, -0.0003884500000000 ] - [ -0.0099355000000000, -0.0091630400000000, -0.0097713900000000 ] - [ 0.0002197700000000, 0.0003003500000000, 0.0001430300000000 ] - [ -0.0000590900000000, 0.0000123900000000, -0.0006422200000000 ] - [ 0.0000246700000000, 0.0002701200000000, 0.0000193800000000 ] - [ -0.0000240100000000, -0.0002216400000000, -0.0002027200000000 ] - [ -0.0010750900000000, -0.0002445200000000, -0.0002218900000000 ] - [ 0.0001806300000000, 0.0003118600000000, -0.0000113900000000 ] - [ 0.0002229600000000, -0.0003439600000000, 0.0002207800000000 ] - [ 0.0000666000000000, 0.0002577700000000, 0.0001299100000000 ] - [ -0.0000402400000000, -0.0002871700000000, -0.0001469200000000 ] - [ 0.0014526400000000, -0.0075937700000000, 0.0034834200000000 ] - [ -0.0000980400000000, -0.0002426000000000, -0.0002815100000000 ] - [ -0.0000122900000000, -0.0001975800000000, -0.0004433100000000 ] - [ 0.0023945200000000, -0.0005039600000000, 0.0027680800000000 ] - [ -0.0000297600000000, -0.0002636600000000, 0.0000828000000000 ] - [ -0.0043665900000000, 0.0024749300000000, 0.0026641700000000 ] - [ 0.0019883500000000, -0.0000599900000000, 0.0009601100000000 ] - [ -0.0006254500000000, 0.0016994500000000, 0.0003080400000000 ] - [ -0.0005507900000000, -0.0000310400000000, -0.0001217500000000 ] - [ -0.0014093200000000, 0.0004618700000000, 0.0010509500000000 ] - [ -0.0030117300000000, 0.0017882600000000, 0.0006197200000000 ] - [ 0.0003314100000000, -0.0013935900000000, -0.0030608600000000 ] - [ 0.0000833800000000, 0.0003897900000000, -0.0002601300000000 ] - [ -0.0002284200000000, 0.0002549400000000, -0.0003686400000000 ] - [ -0.0005721700000000, -0.0000209200000000, 0.0002262500000000 ] - [ 0.0003434300000000, 0.0000679000000000, -0.0000032400000000 ] - [ -0.0089012400000000, 0.0050746100000000, -0.0059431200000000 ] - [ 0.0004568500000000, 0.0002471600000000, 0.0004335300000000 ] - [ -0.0023084600000000, -0.0004064500000000, 0.0010457300000000 ] - [ -0.0020527400000000, 0.0005405500000000, 0.0004125700000000 ] - [ 0.0002599200000000, -0.0008837100000000, -0.0006535000000000 ] - [ 0.0001940700000000, -0.0001428400000000, 0.0006338400000000 ] - [ -0.0004696200000000, 0.0001783600000000, -0.0008871700000000 ] - [ -0.0004087800000000, 0.0001450900000000, 0.0002824300000000 ] - [ -0.0000231700000000, 0.0002667700000000, 0.0000631800000000 ] - [ -0.0000314500000000, -0.0004119300000000, -0.0008314500000000 ] - [ -0.0008340100000000, 0.0000992800000000, 0.0009962000000000 ] - [ -0.0039659000000000, -0.0023391700000000, 0.0016691400000000 ] - [ 0.0014658900000000, 0.0001514900000000, 0.0011719200000000 ] - [ 0.0003353000000000, -0.0001765800000000, 0.0005416500000000 ] - [ 0.0003197800000000, -0.0003184400000000, -0.0000284100000000 ] - [ -0.0000653000000000, -0.0006466800000000, -0.0004511700000000 ] - [ 0.0012624700000000, -0.0040324500000000, -0.0043088200000000 ] - [ 0.0000471500000000, -0.0011415200000000, -0.0008425300000000 ] - [ -0.0029741100000000, 0.0003407600000000, -0.0004511100000000 ] - [ -0.0005261800000000, 0.0000458300000000, 0.0002855200000000 ] - [ -0.0017489300000000, 0.0003254900000000, 0.0005553200000000 ] - [ -0.0036895300000000, -0.0021232400000000, 0.0033872300000000 ] - [ 0.0006077300000000, 0.0010986700000000, -0.0033295100000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000820800000000, -0.0002962800000000, -0.0000614900000000 ] - [ 0.0007462800000000, -0.0012689600000000, 0.0000870700000000 ] - [ 0.0002471700000000, -0.0005294500000000, -0.0002926000000000 ] - [ -0.0003309400000000, -0.0004599700000000, -0.0003375000000000 ] - [ -0.0002780200000000, 0.0007917000000000, 0.0004064100000000 ] - [ -0.0017483300000000, -0.0002953300000000, -0.0009473000000000 ] - [ -0.0004391000000000, 0.0000005100000000, 0.0006210400000000 ] - [ 0.0007419600000000, 0.0004463400000000, -0.0003660000000000 ] - [ 0.0010580000000000, -0.0000025100000000, 0.0009981500000000 ] - [ -0.0040006200000000, -0.0069991100000000, 0.0007116200000000 ] - [ -0.0000808800000000, 0.0004703200000000, 0.0006483800000000 ] - [ 0.0006287700000000, 0.0001832100000000, -0.0000768000000000 ] - [ 0.0002577800000000, -0.0005789900000000, -0.0004563100000000 ] - [ -0.0001925400000000, -0.0006966000000000, -0.0000868300000000 ] - [ 0.0001435800000000, -0.0002759900000000, -0.0003631300000000 ] - [ -0.0001948100000000, 0.0015799900000000, 0.0013171800000000 ] - [ -0.0003067200000000, -0.0003814600000000, 0.0000584900000000 ] - [ 0.0000942100000000, 0.0009217000000000, 0.0002621300000000 ] - [ -0.0002619300000000, 0.0015766100000000, -0.0000148000000000 ] - [ 0.0005392100000000, 0.0010112400000000, 0.0001835800000000 ] - [ 0.0001169000000000, -0.0005909700000000, -0.0005400400000000 ] - [ 0.0001650000000000, -0.0008370200000000, -0.0000317900000000 ] - [ -0.0001028400000000, -0.0003073900000000, -0.0002804000000000 ] - [ -0.0000884600000000, 0.0001801300000000, -0.0001469200000000 ] - [ -0.0000444800000000, -0.0006283400000000, -0.0002241900000000 ] - [ 0.0114129000000000, 0.0314671200000000, -0.0246472300000000 ] - [ -0.0002127800000000, -0.0003977100000000, 0.0005653400000000 ] - [ -0.0004154100000000, -0.0010707200000000, -0.0000834600000000 ] - [ -0.0206475200000000, 0.0157162400000000, -0.0011480800000000 ] - [ 0.0042965000000000, -0.0052874600000000, -0.0018405800000000 ] - [ 0.0191302400000000, 0.0166617400000000, 0.0020766200000000 ] - [ -0.0026338500000000, 0.0281797700000000, 0.0310695300000000 ] - [ 0.0003866800000000, -0.0004600100000000, 0.0004754300000000 ] - [ -0.0009788200000000, 0.0005084500000000, -0.0002043200000000 ] - [ -0.0001323200000000, 0.0001238300000000, 0.0003142300000000 ] - [ 0.0051560300000000, 0.0013597800000000, -0.0004996400000000 ] - [ -0.0007676300000000, 0.0010708500000000, -0.0005751900000000 ] - [ 0.0024057400000000, -0.0004404000000000, -0.0002905500000000 ] - [ -0.0015851400000000, -0.0005393400000000, 0.0008477000000000 ] - [ -0.0003880200000000, -0.0003815100000000, -0.0006285600000000 ] - [ 0.0010837400000000, -0.0030923200000000, 0.0086998300000000 ] - [ 0.0008546500000000, 0.0008470200000000, 0.0007459900000000 ] - [ -0.0033148500000000, -0.0008386500000000, -0.0015023200000000 ] - [ -0.0046466700000000, 0.0001879900000000, 0.0006930700000000 ] - [ 0.0009642800000000, -0.0003336400000000, 0.0002271600000000 ] - [ 0.0001087000000000, -0.0002756800000000, -0.0004987300000000 ] - [ 0.0038598600000000, 0.0016123500000000, -0.0007995200000000 ] - [ 0.0007859500000000, -0.0013156200000000, -0.0087673900000000 ] - [ -0.0002707500000000, -0.0003105000000000, 0.0001091900000000 ] - [ 0.0007088800000000, -0.0003545500000000, -0.0004611800000000 ] - [ -0.0017244200000000, 0.0126214200000000, 0.0069576600000000 ] - [ -0.0019502300000000, 0.0051376700000000, -0.0040394200000000 ] - [ -0.0015709500000000, -0.0003300700000000, -0.0010876800000000 ] - [ 0.0021612000000000, 0.0265447100000000, 0.0034249300000000 ] - [ 0.0002253300000000, 0.0000029300000000, -0.0000186900000000 ] - [ 0.0005665600000000, 0.0007245300000000, -0.0001456500000000 ] - [ -0.0000525900000000, -0.0002255800000000, -0.0000262600000000 ] - [ 0.0012773300000000, 0.0008887800000000, -0.0009423400000000 ] - [ 0.0001526200000000, 0.0002511700000000, 0.0000494800000000 ] - [ -0.0005587300000000, -0.0002887700000000, -0.0000133800000000 ] - [ 0.0004006500000000, -0.0000562600000000, 0.0005938600000000 ] - [ -0.0002386000000000, -0.0007568500000000, 0.0003983200000000 ] - [ -0.0003770500000000, 0.0012003900000000, -0.0017894800000000 ] - [ 0.0004644700000000, -0.0005499800000000, -0.0005832900000000 ] - [ 0.0000320400000000, 0.0005067800000000, -0.0000770800000000 ] - [ 0.0007804400000000, -0.0003781300000000, 0.0011479800000000 ] - [ -0.0058362800000000, -0.1374114200000000, -0.0092390500000000 ] - [ 0.0001346000000000, -0.0006408900000000, 0.0007730600000000 ] - [ -0.0002081500000000, 0.0002034800000000, -0.0007222900000000 ] - [ -0.0002658500000000, 0.0000386500000000, -0.0001834600000000 ] - [ 0.0004844600000000, 0.0003214500000000, 0.0001095100000000 ] - [ 0.0017272000000000, -0.0021468100000000, 0.0002332000000000 ] - [ 0.0003506600000000, 0.0002365400000000, 0.0000885300000000 ] - [ -0.0003022500000000, 0.0006776500000000, -0.0001867400000000 ] - [ -0.0002361500000000, 0.0002612900000000, 0.0002420400000000 ] - [ 0.0000743200000000, -0.0002532000000000, -0.0001261200000000 ] - [ 0.0005278000000000, 0.0011648000000000, -0.0003743100000000 ] - [ 0.0001436200000000, 0.0003123600000000, -0.0000397000000000 ] - [ 0.0000008700000000, -0.0006053600000000, 0.0001796400000000 ] - [ 0.0002507800000000, 0.0001700800000000, -0.0000106700000000 ] - [ -0.0002414800000000, -0.0002699900000000, -0.0001309900000000 ] - [ 0.0009135800000000, 0.0122592100000000, -0.0064187200000000 ] - [ 0.0002872000000000, 0.0002047800000000, 0.0006313100000000 ] - [ -0.0000963600000000, -0.0002962000000000, -0.0003782700000000 ] - [ -0.0001953100000000, -0.0015537000000000, -0.0029351000000000 ] - [ 0.0000505400000000, -0.0002275100000000, 0.0001441200000000 ] - [ -0.0041069800000000, 0.0008303400000000, 0.0032095200000000 ] - [ 0.0000750600000000, 0.0014090400000000, 0.0021914600000000 ] - [ -0.0018283600000000, 0.0004014300000000, -0.0002938100000000 ] - [ -0.0003573600000000, -0.0001254100000000, -0.0001681400000000 ] - [ -0.0008233300000000, 0.0008706900000000, 0.0009814600000000 ] - [ -0.0005041300000000, -0.0006032100000000, -0.0005769700000000 ] - [ 0.0001031800000000, -0.0000908200000000, 0.0020361400000000 ] - [ -0.0003383300000000, -0.0001194500000000, -0.0002082000000000 ] - [ -0.0000655800000000, 0.0002499600000000, -0.0001705400000000 ] - [ -0.0007970000000000, -0.0001267500000000, 0.0000574600000000 ] - [ 0.0003338500000000, 0.0000648200000000, 0.0000470300000000 ] - [ 0.0003269000000000, -0.0022030000000000, 0.0007388500000000 ] - [ 0.0002994800000000, 0.0002961600000000, 0.0003940800000000 ] - [ -0.0001515500000000, -0.0003214500000000, -0.0002857400000000 ] - [ 0.0008809300000000, 0.0000362100000000, 0.0008741500000000 ] - [ 0.0002563500000000, -0.0009975800000000, -0.0004815800000000 ] - [ -0.0000563500000000, 0.0000659800000000, 0.0005070000000000 ] - [ -0.0004476000000000, 0.0001950400000000, -0.0008625700000000 ] - [ -0.0002215000000000, 0.0002760900000000, 0.0002188600000000 ] - [ -0.0000748400000000, 0.0003174800000000, 0.0000280400000000 ] - [ 0.0000988700000000, -0.0009922300000000, 0.0000912200000000 ] - [ -0.0003022100000000, -0.0007332100000000, 0.0009182400000000 ] - [ 0.0012106700000000, 0.0004700100000000, -0.0000855400000000 ] - [ -0.0007730300000000, -0.0014125400000000, 0.0022663000000000 ] - [ 0.0002019500000000, -0.0002264300000000, 0.0005301300000000 ] - [ 0.0001580500000000, -0.0001250200000000, -0.0000012500000000 ] - [ -0.0001295900000000, -0.0006600200000000, -0.0004384300000000 ] - [ 0.0014682600000000, 0.0043967600000000, 0.0057337800000000 ] - [ 0.0014602700000000, 0.0015437100000000, 0.0003977000000000 ] - [ -0.0008299700000000, 0.0004638500000000, -0.0006676400000000 ] - [ -0.0005805600000000, 0.0000176500000000, 0.0002601400000000 ] - [ -0.0012336400000000, 0.0011494700000000, 0.0000253200000000 ] - [ 0.0024413300000000, 0.0012802000000000, -0.0022393700000000 ] - [ -0.0045925800000000, 0.0010138500000000, -0.0054773800000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000634800000000, -0.0002022800000000, -0.0000044800000000 ] - [ -0.0005259200000000, 0.0005533700000000, 0.0003983600000000 ] - [ 0.0002829300000000, -0.0004287300000000, -0.0002929200000000 ] - [ -0.0003938700000000, -0.0003831600000000, -0.0002564300000000 ] - [ 0.0005045700000000, -0.0000769500000000, 0.0000946100000000 ] - [ 0.0014491400000000, -0.0008928800000000, 0.0019466800000000 ] - [ -0.0000964600000000, -0.0009558200000000, -0.0000389300000000 ] - [ -0.0005861900000000, -0.0009425000000000, 0.0004463500000000 ] - [ -0.0012692600000000, 0.0016411300000000, -0.0008314000000000 ] - [ 0.0038891800000000, 0.0066954600000000, -0.0010176600000000 ] - [ -0.0002092000000000, 0.0007203500000000, 0.0003541900000000 ] - [ 0.0000953800000000, 0.0006566000000000, 0.0006694300000000 ] - [ -0.0004750100000000, 0.0012855100000000, -0.0000303000000000 ] - [ -0.0000287000000000, -0.0009444300000000, 0.0002463500000000 ] - [ 0.0000957400000000, -0.0003553700000000, -0.0002703100000000 ] - [ 0.0009192800000000, -0.0024205200000000, -0.0007199600000000 ] - [ 0.0004509500000000, 0.0008789900000000, 0.0000093100000000 ] - [ -0.0003344900000000, -0.0002875200000000, 0.0003692900000000 ] - [ 0.0001084200000000, -0.0010775400000000, -0.0000682100000000 ] - [ -0.0004020600000000, -0.0013145700000000, 0.0001170000000000 ] - [ 0.0001732600000000, -0.0005992800000000, -0.0004628200000000 ] - [ 0.0000564300000000, -0.0008021200000000, -0.0001278000000000 ] - [ -0.0001217100000000, -0.0004059900000000, -0.0002220800000000 ] - [ -0.0000514300000000, 0.0001230300000000, -0.0001601000000000 ] - [ -0.0004844100000000, 0.0015806900000000, 0.0008090500000000 ] - [ -0.0117308300000000, -0.0318241000000000, 0.0251841200000000 ] - [ 0.0003554500000000, 0.0006958600000000, -0.0002505400000000 ] - [ 0.0001745400000000, 0.0004369200000000, 0.0007133900000000 ] - [ 0.0204582900000000, -0.0146989400000000, 0.0005059800000000 ] - [ -0.0040903500000000, 0.0059066600000000, 0.0012067600000000 ] - [ -0.0189773300000000, -0.0155841700000000, -0.0025554400000000 ] - [ 0.0029801700000000, -0.0269987800000000, -0.0324739400000000 ] - [ 0.0004429500000000, -0.0003462300000000, 0.0001676600000000 ] - [ -0.0009553200000000, 0.0001378000000000, 0.0000457300000000 ] - [ -0.0000532700000000, 0.0001895000000000, 0.0006833100000000 ] - [ -0.0053465900000000, -0.0017075900000000, 0.0014951400000000 ] - [ -0.0008805600000000, 0.0007901800000000, -0.0010599700000000 ] - [ -0.0004610100000000, 0.0011061400000000, 0.0004540600000000 ] - [ 0.0007489100000000, 0.0013619400000000, -0.0014951600000000 ] - [ -0.0004401000000000, -0.0004234500000000, -0.0000163800000000 ] - [ 0.0005621700000000, 0.0012586300000000, -0.0069654600000000 ] - [ 0.0007922800000000, 0.0010143600000000, 0.0008882700000000 ] - [ 0.0016752200000000, -0.0010614800000000, -0.0001474800000000 ] - [ 0.0027086700000000, -0.0008367400000000, -0.0008469800000000 ] - [ 0.0009706000000000, -0.0003137600000000, -0.0000707200000000 ] - [ 0.0000769500000000, -0.0000378300000000, -0.0005005500000000 ] - [ -0.0030398700000000, -0.0008101500000000, 0.0014365400000000 ] - [ -0.0005986700000000, 0.0016268700000000, 0.0077186900000000 ] - [ -0.0002657300000000, -0.0001648800000000, -0.0001040700000000 ] - [ 0.0004919800000000, 0.0002547300000000, -0.0001275300000000 ] - [ 0.0023821600000000, -0.0123436300000000, -0.0057827600000000 ] - [ 0.0021164400000000, -0.0056123900000000, 0.0039959700000000 ] - [ 0.0008471400000000, 0.0001664100000000, -0.0000152200000000 ] - [ -0.0020342400000000, -0.0264909300000000, -0.0037436800000000 ] - [ 0.0002515700000000, -0.0001609100000000, -0.0001722100000000 ] - [ -0.0001918600000000, 0.0005784100000000, 0.0010607600000000 ] - [ -0.0000046500000000, -0.0003509700000000, -0.0001962100000000 ] - [ -0.0000762600000000, -0.0007848700000000, 0.0003496200000000 ] - [ 0.0000469300000000, 0.0002546400000000, -0.0000346300000000 ] - [ -0.0004443700000000, -0.0003431100000000, -0.0000079600000000 ] - [ 0.0003219400000000, -0.0001126400000000, 0.0005050500000000 ] - [ -0.0002691900000000, -0.0009828100000000, 0.0005191200000000 ] - [ -0.0003179100000000, -0.0011554600000000, 0.0014207900000000 ] - [ -0.0002671500000000, 0.0010789800000000, 0.0004476900000000 ] - [ -0.0005359100000000, 0.0000460100000000, -0.0000762800000000 ] - [ 0.0000377300000000, 0.0000159900000000, 0.0006061900000000 ] - [ 0.0062587100000000, 0.1397780300000000, 0.0091559500000000 ] - [ 0.0002378000000000, -0.0006676100000000, 0.0001487500000000 ] - [ -0.0002388100000000, 0.0001783800000000, -0.0003492700000000 ] - [ -0.0004569000000000, 0.0001303900000000, -0.0009144400000000 ] - [ 0.0005196200000000, 0.0003096300000000, -0.0000857000000000 ] - [ -0.0010098800000000, 0.0022575300000000, 0.0001582700000000 ] - [ 0.0001541300000000, 0.0003199800000000, 0.0000630900000000 ] - [ 0.0001680100000000, -0.0001807900000000, -0.0000904400000000 ] - [ -0.0002225900000000, 0.0003360800000000, -0.0001193800000000 ] - [ 0.0000874000000000, -0.0002094000000000, -0.0001314900000000 ] - [ -0.0006745200000000, -0.0007560500000000, -0.0005335600000000 ] - [ 0.0003138900000000, 0.0002860100000000, -0.0000802900000000 ] - [ 0.0000558100000000, 0.0000254900000000, 0.0000464500000000 ] - [ 0.0002860900000000, 0.0003062200000000, 0.0000055200000000 ] - [ -0.0002636100000000, -0.0002862700000000, -0.0000193000000000 ] - [ -0.0016726400000000, -0.0125113300000000, 0.0046007600000000 ] - [ -0.0004454000000000, -0.0006650100000000, -0.0003706400000000 ] - [ -0.0000591800000000, -0.0001156800000000, -0.0005276400000000 ] - [ -0.0003099100000000, 0.0032166000000000, 0.0038552500000000 ] - [ 0.0000815400000000, -0.0002682300000000, 0.0001314800000000 ] - [ 0.0045930900000000, -0.0014238700000000, -0.0033557600000000 ] - [ 0.0004635200000000, -0.0018798900000000, -0.0021865900000000 ] - [ 0.0012984900000000, 0.0000844200000000, 0.0003067000000000 ] - [ -0.0003365200000000, 0.0000722000000000, -0.0001864400000000 ] - [ 0.0008856500000000, -0.0002947700000000, -0.0007613700000000 ] - [ 0.0003101900000000, 0.0000555600000000, 0.0006969500000000 ] - [ -0.0002964700000000, -0.0004011600000000, -0.0020616400000000 ] - [ 0.0001770900000000, 0.0005784200000000, 0.0004646600000000 ] - [ -0.0001325300000000, 0.0002559600000000, 0.0001553000000000 ] - [ 0.0003444100000000, -0.0002601500000000, -0.0011283500000000 ] - [ 0.0003604100000000, -0.0001174000000000, 0.0003079000000000 ] - [ 0.0001259900000000, 0.0023924600000000, -0.0009497900000000 ] - [ 0.0005148000000000, 0.0000710400000000, 0.0013517900000000 ] - [ -0.0003082600000000, -0.0002805400000000, 0.0004073100000000 ] - [ -0.0004332500000000, 0.0003517200000000, 0.0001977900000000 ] - [ 0.0002519500000000, -0.0007449200000000, -0.0004359500000000 ] - [ 0.0002113100000000, -0.0004760300000000, 0.0004019600000000 ] - [ -0.0003657400000000, 0.0001717100000000, -0.0008831000000000 ] - [ -0.0002546200000000, -0.0001193800000000, -0.0000279300000000 ] - [ -0.0001214200000000, 0.0002133500000000, 0.0001047300000000 ] - [ -0.0002286000000000, 0.0004933700000000, -0.0003657000000000 ] - [ 0.0004597700000000, 0.0011464300000000, -0.0000116000000000 ] - [ -0.0012672200000000, 0.0000929300000000, -0.0001227800000000 ] - [ 0.0002949000000000, 0.0012448100000000, -0.0020638000000000 ] - [ 0.0002446100000000, -0.0001566200000000, 0.0005415700000000 ] - [ 0.0000378900000000, -0.0004047900000000, -0.0001315500000000 ] - [ -0.0002440600000000, -0.0006480700000000, -0.0004815600000000 ] - [ -0.0024447100000000, -0.0037317700000000, -0.0056941300000000 ] - [ -0.0009627600000000, 0.0002170300000000, -0.0013238300000000 ] - [ 0.0004641200000000, 0.0008494900000000, -0.0002493900000000 ] - [ -0.0006202800000000, 0.0000819100000000, 0.0003293700000000 ] - [ 0.0000232000000000, -0.0012524300000000, 0.0005656700000000 ] - [ -0.0018989100000000, -0.0018440900000000, 0.0023906600000000 ] - [ 0.0056003800000000, -0.0016406000000000, 0.0055366200000000 ]- atom: 67 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ -0.0002375600000000, -0.0002640200000000, -0.0013012800000000 ] - [ 0.0004536600000000, 0.0000331200000000, -0.0009524500000000 ] - [ 0.0003145200000000, -0.0002686600000000, -0.0013328700000000 ] - [ -0.0003449100000000, -0.0005030200000000, -0.0014065400000000 ] - [ 0.0012631800000000, 0.0004666100000000, -0.0012889000000000 ] - [ -0.0008282400000000, -0.0005003600000000, 0.0003387300000000 ] - [ -0.0001107900000000, -0.0004811500000000, -0.0003111800000000 ] - [ 0.0012337000000000, -0.0004738500000000, -0.0014999600000000 ] - [ -0.0004557200000000, 0.0012688100000000, 0.0003458200000000 ] - [ -0.0002993800000000, -0.0010443500000000, 0.0033145200000000 ] - [ -0.0002282900000000, 0.0007729700000000, -0.0004820300000000 ] - [ 0.0006267900000000, 0.0006962900000000, -0.0003332500000000 ] - [ 0.0008108400000000, 0.0004927700000000, 0.0022570500000000 ] - [ -0.0002419000000000, -0.0008059200000000, -0.0008010800000000 ] - [ 0.0001597200000000, -0.0002190700000000, -0.0012934400000000 ] - [ -0.0005818700000000, -0.0002049000000000, -0.0021078500000000 ] - [ 0.0004396300000000, 0.0001923500000000, -0.0010321300000000 ] - [ -0.0000567700000000, 0.0000537100000000, 0.0001501200000000 ] - [ 0.0017842100000000, 0.0001625300000000, 0.0025427100000000 ] - [ -0.0017931400000000, -0.0014924300000000, -0.0024788200000000 ] - [ 0.0003649000000000, -0.0006210000000000, -0.0015534900000000 ] - [ 0.0002179700000000, -0.0008416800000000, -0.0010158300000000 ] - [ -0.0003275700000000, -0.0003239700000000, -0.0015346000000000 ] - [ -0.0000322500000000, -0.0000061400000000, -0.0012387600000000 ] - [ -0.0007640800000000, 0.0006670400000000, -0.0009228400000000 ] - [ -0.0104787600000000, -0.0172571800000000, 0.0241164300000000 ] - [ 0.0003375000000000, 0.0001049000000000, -0.0005524000000000 ] - [ -0.0004663000000000, -0.0003183800000000, -0.0008332300000000 ] - [ -0.0158087100000000, 0.0070424000000000, 0.0056655800000000 ] - [ 0.0000372600000000, 0.0009564300000000, 0.0030653600000000 ] - [ -0.0127639000000000, -0.0052466300000000, 0.0060109300000000 ] - [ -0.0078448100000000, 0.0264289500000000, 0.0451709500000000 ] - [ 0.0005548800000000, -0.0002969800000000, -0.0018298700000000 ] - [ -0.0007692900000000, -0.0000874200000000, -0.0021861700000000 ] - [ -0.0004277100000000, 0.0001587400000000, -0.0012272600000000 ] - [ -0.0055905500000000, -0.0012113500000000, 0.0054843800000000 ] - [ -0.0010722200000000, 0.0008580000000000, -0.0024262400000000 ] - [ 0.0025389600000000, -0.0009235200000000, 0.0007157900000000 ] - [ 0.0009997100000000, 0.0016316900000000, -0.0003045600000000 ] - [ -0.0003789100000000, -0.0003798800000000, -0.0022371400000000 ] - [ -0.0028141600000000, 0.0083556200000000, 0.0023243500000000 ] - [ 0.0010403400000000, 0.0010140300000000, -0.0006232600000000 ] - [ -0.0039365200000000, 0.0003086400000000, 0.0025149500000000 ] - [ 0.0052112800000000, -0.0009196300000000, 0.0001871200000000 ] - [ 0.0009708300000000, -0.0002324600000000, -0.0019012200000000 ] - [ 0.0001852800000000, -0.0001126200000000, -0.0020843100000000 ] - [ 0.0060208500000000, 0.0012793300000000, -0.0001349300000000 ] - [ -0.0024348100000000, -0.0046430500000000, -0.0029809700000000 ] - [ -0.0001979600000000, -0.0005902600000000, 0.0009543200000000 ] - [ 0.0001747500000000, 0.0008141100000000, 0.0012326100000000 ] - [ -0.0005896200000000, 0.0091349100000000, 0.0018992600000000 ] - [ 0.0025801800000000, -0.0019469400000000, -0.0019922400000000 ] - [ 0.0004228900000000, 0.0002255800000000, -0.0010908000000000 ] - [ 0.0045126200000000, 0.0008489900000000, -0.0081223400000000 ] - [ 0.0002435100000000, 0.0002195900000000, 0.0006907200000000 ] - [ -0.0008403200000000, 0.0002480000000000, 0.0004351800000000 ] - [ -0.0001143300000000, 0.0000209300000000, 0.0007950400000000 ] - [ -0.0009820600000000, -0.0006956100000000, 0.0005725100000000 ] - [ -0.0000454300000000, 0.0002823900000000, 0.0009006200000000 ] - [ -0.0005634600000000, -0.0004523900000000, 0.0008273900000000 ] - [ 0.0005786600000000, -0.0000400200000000, 0.0015513300000000 ] - [ -0.0002618500000000, -0.0010095700000000, 0.0012151200000000 ] - [ 0.0003508200000000, -0.0021033200000000, 0.0004608600000000 ] - [ -0.0009250400000000, 0.0006951900000000, 0.0004466300000000 ] - [ -0.0006723000000000, 0.0004544100000000, -0.0004334900000000 ] - [ 0.0002636600000000, -0.0003934300000000, -0.0001153800000000 ] - [ 0.0555287500000000, -0.0037344300000000, -0.0938249700000000 ] - [ 0.0002678700000000, -0.0005408100000000, 0.0016086300000000 ] - [ -0.0000444300000000, 0.0000851300000000, 0.0006545100000000 ] - [ 0.0001644100000000, 0.0001685600000000, 0.0005450600000000 ] - [ 0.0005012500000000, 0.0002302400000000, 0.0006394400000000 ] - [ -0.0006023900000000, -0.0026059900000000, -0.0043973500000000 ] - [ -0.0003658500000000, 0.0003955600000000, 0.0008922900000000 ] - [ 0.0003830000000000, 0.0001849500000000, 0.0002118100000000 ] - [ -0.0004084000000000, 0.0001794600000000, 0.0008053200000000 ] - [ -0.0000410300000000, -0.0002574600000000, 0.0006053400000000 ] - [ -0.0011038100000000, -0.0003512600000000, -0.0014856200000000 ] - [ -0.0002203600000000, 0.0004058900000000, 0.0007458700000000 ] - [ -0.0001614500000000, -0.0008309500000000, 0.0014000900000000 ] - [ 0.0002181900000000, -0.0000741500000000, 0.0007781300000000 ] - [ -0.0004726100000000, -0.0003091400000000, 0.0006376700000000 ] - [ -0.0013178300000000, -0.0075907400000000, -0.0004820700000000 ] - [ 0.0001557600000000, -0.0002070200000000, 0.0006114300000000 ] - [ -0.0000595600000000, -0.0004979700000000, 0.0003378600000000 ] - [ 0.0007993300000000, -0.0087680500000000, 0.0116805300000000 ] - [ 0.0000709100000000, -0.0002624200000000, 0.0009207300000000 ] - [ -0.0046180900000000, 0.0034510100000000, 0.0023406700000000 ] - [ 0.0006281500000000, 0.0005553400000000, 0.0010737000000000 ] - [ 0.0001239200000000, -0.0004593600000000, -0.0022257600000000 ] - [ -0.0003867700000000, 0.0003279400000000, 0.0005484200000000 ] - [ -0.0013102500000000, 0.0006062900000000, 0.0009860500000000 ] - [ -0.0025073100000000, 0.0004785300000000, -0.0007707900000000 ] - [ 0.0011228000000000, 0.0014796200000000, -0.0000801800000000 ] - [ 0.0010383100000000, -0.0000232300000000, 0.0006449200000000 ] - [ -0.0001690700000000, 0.0002192700000000, 0.0006839300000000 ] - [ -0.0010589100000000, 0.0000126700000000, -0.0007543800000000 ] - [ 0.0004042700000000, -0.0004031900000000, 0.0010508600000000 ] - [ -0.0003923400000000, 0.0016275900000000, -0.0035680400000000 ] - [ 0.0008561400000000, 0.0002132500000000, 0.0019188800000000 ] - [ -0.0008557200000000, -0.0004221000000000, 0.0000821500000000 ] - [ -0.0014460100000000, 0.0002362300000000, -0.0011241300000000 ] - [ 0.0003510300000000, -0.0007108900000000, 0.0003136900000000 ] - [ 0.0000634600000000, 0.0000429200000000, 0.0013571400000000 ] - [ -0.0002542100000000, 0.0001187900000000, -0.0000446000000000 ] - [ -0.0003598700000000, 0.0003557900000000, 0.0008125600000000 ] - [ -0.0001973700000000, -0.0000919500000000, 0.0009193700000000 ] - [ 0.0005695500000000, -0.0001206600000000, 0.0004082600000000 ] - [ -0.0008851300000000, 0.0000953200000000, 0.0007035300000000 ] - [ -0.0030668700000000, -0.0006176900000000, -0.0004217300000000 ] - [ -0.0003786100000000, 0.0023779400000000, 0.0037327700000000 ] - [ 0.0006381500000000, -0.0000842300000000, 0.0018116500000000 ] - [ -0.0000887900000000, -0.0005205200000000, 0.0008437800000000 ] - [ 0.0001353000000000, -0.0006934300000000, 0.0007815500000000 ] - [ 0.0014298800000000, 0.0020387600000000, 0.0002505800000000 ] - [ 0.0005396100000000, 0.0006591100000000, -0.0016216400000000 ] - [ -0.0017950900000000, 0.0006027400000000, -0.0020686000000000 ] - [ -0.0006959900000000, 0.0003243400000000, 0.0011426700000000 ] - [ -0.0013092000000000, 0.0006655100000000, -0.0009745400000000 ] - [ -0.0049329600000000, -0.0033638500000000, 0.0029868100000000 ] - [ 0.0071046300000000, -0.0035751400000000, 0.0031524700000000 ]- atom: 67 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ 0.0000934200000000, -0.0002337000000000, 0.0012364900000000 ] - [ -0.0002403400000000, -0.0007431500000000, 0.0014394800000000 ] - [ 0.0002151200000000, -0.0006892700000000, 0.0007488500000000 ] - [ -0.0003806300000000, -0.0003399800000000, 0.0008123000000000 ] - [ -0.0010454400000000, 0.0002468200000000, 0.0017954700000000 ] - [ 0.0005452100000000, -0.0006921700000000, 0.0006715900000000 ] - [ -0.0004207100000000, -0.0004746700000000, 0.0008918200000000 ] - [ -0.0010744800000000, -0.0000259400000000, 0.0015754200000000 ] - [ 0.0002275900000000, 0.0003673800000000, -0.0001959700000000 ] - [ 0.0001283400000000, 0.0007298300000000, -0.0036212500000000 ] - [ -0.0000605300000000, 0.0004157200000000, 0.0014841600000000 ] - [ 0.0000949900000000, 0.0001449500000000, 0.0009257100000000 ] - [ -0.0010279000000000, 0.0002205900000000, -0.0027441400000000 ] - [ 0.0000201000000000, -0.0008361000000000, 0.0009627600000000 ] - [ 0.0000795300000000, -0.0004115500000000, 0.0006600100000000 ] - [ 0.0012986700000000, -0.0006315600000000, 0.0026983300000000 ] - [ -0.0002944000000000, 0.0003056300000000, 0.0010976400000000 ] - [ -0.0001857600000000, 0.0005802200000000, 0.0004808500000000 ] - [ -0.0019356100000000, 0.0003401600000000, -0.0026255400000000 ] - [ 0.0019464100000000, 0.0012027400000000, 0.0027909000000000 ] - [ -0.0000756900000000, -0.0005693400000000, 0.0005504600000000 ] - [ 0.0000038900000000, -0.0007971700000000, 0.0008573000000000 ] - [ 0.0001039800000000, -0.0003892700000000, 0.0010331500000000 ] - [ -0.0001082000000000, 0.0003089500000000, 0.0009329400000000 ] - [ 0.0002363800000000, 0.0002895700000000, 0.0015034700000000 ] - [ 0.0105698500000000, 0.0172325900000000, -0.0244960900000000 ] - [ -0.0001898700000000, 0.0001947800000000, 0.0008652500000000 ] - [ 0.0002267600000000, -0.0003124900000000, 0.0014699900000000 ] - [ 0.0162460000000000, -0.0060224900000000, -0.0064346700000000 ] - [ 0.0002319400000000, -0.0003248200000000, -0.0037123100000000 ] - [ 0.0120368900000000, 0.0061099000000000, -0.0064783000000000 ] - [ 0.0081203200000000, -0.0265754800000000, -0.0473992200000000 ] - [ 0.0002776700000000, -0.0005071600000000, 0.0024709000000000 ] - [ -0.0011650600000000, 0.0007387500000000, 0.0020293100000000 ] - [ 0.0002431000000000, 0.0001552400000000, 0.0022251600000000 ] - [ 0.0054066800000000, 0.0008771300000000, -0.0044704400000000 ] - [ -0.0005755400000000, 0.0010030700000000, 0.0007938400000000 ] - [ -0.0006062400000000, 0.0015607300000000, -0.0005564000000000 ] - [ -0.0018292300000000, -0.0008325600000000, -0.0003384700000000 ] - [ -0.0004542600000000, -0.0004267400000000, 0.0015944900000000 ] - [ 0.0044833700000000, -0.0102910000000000, -0.0007272800000000 ] - [ 0.0006078800000000, 0.0008471500000000, 0.0022579400000000 ] - [ 0.0022898400000000, -0.0021840300000000, -0.0041760700000000 ] - [ -0.0071170800000000, 0.0002688400000000, -0.0003402900000000 ] - [ 0.0009644700000000, -0.0004150300000000, 0.0020613300000000 ] - [ -0.0000012900000000, -0.0002018400000000, 0.0010862200000000 ] - [ -0.0052158800000000, -0.0004764000000000, 0.0007770900000000 ] - [ 0.0026011700000000, 0.0048883100000000, 0.0020010000000000 ] - [ -0.0003416900000000, 0.0001153600000000, -0.0009450600000000 ] - [ 0.0010245000000000, -0.0009208100000000, -0.0018281800000000 ] - [ 0.0013078000000000, -0.0089205100000000, -0.0008429300000000 ] - [ -0.0023908100000000, 0.0014204100000000, 0.0020443100000000 ] - [ -0.0011481500000000, -0.0003910200000000, -0.0000162000000000 ] - [ -0.0043479600000000, -0.0003157700000000, 0.0078783900000000 ] - [ 0.0002321200000000, -0.0003753400000000, -0.0008783200000000 ] - [ 0.0012141200000000, 0.0010657600000000, 0.0004909700000000 ] - [ 0.0000575200000000, -0.0005981900000000, -0.0010217300000000 ] - [ 0.0021689500000000, 0.0007919500000000, -0.0011587100000000 ] - [ 0.0002454800000000, 0.0002238200000000, -0.0008887800000000 ] - [ -0.0004412800000000, -0.0001817200000000, -0.0008501900000000 ] - [ 0.0001458200000000, -0.0001287300000000, -0.0004514400000000 ] - [ -0.0002465500000000, -0.0007346300000000, -0.0002944500000000 ] - [ -0.0010490800000000, 0.0021695000000000, -0.0008066400000000 ] - [ 0.0011167000000000, -0.0001642000000000, -0.0005805700000000 ] - [ 0.0001602400000000, 0.0001057100000000, 0.0002805700000000 ] - [ 0.0005577800000000, 0.0000257700000000, 0.0018705500000000 ] - [ -0.0552145300000000, 0.0071444700000000, 0.0957192400000000 ] - [ 0.0001043600000000, -0.0007679800000000, -0.0006819800000000 ] - [ -0.0004012700000000, 0.0003018000000000, -0.0017271600000000 ] - [ -0.0008883300000000, 0.0000007800000000, -0.0016426200000000 ] - [ 0.0005045500000000, 0.0004035900000000, -0.0006146100000000 ] - [ 0.0013229600000000, 0.0026862500000000, 0.0047698000000000 ] - [ 0.0008727700000000, 0.0001614100000000, -0.0007403300000000 ] - [ -0.0005149600000000, 0.0003106600000000, -0.0004808100000000 ] - [ -0.0000468400000000, 0.0004170300000000, -0.0006830300000000 ] - [ 0.0002015900000000, -0.0002046100000000, -0.0008658400000000 ] - [ 0.0009489100000000, 0.0007631000000000, 0.0005785600000000 ] - [ 0.0006777400000000, 0.0001902300000000, -0.0008683000000000 ] - [ 0.0002178800000000, 0.0002507000000000, -0.0011697800000000 ] - [ 0.0003219100000000, 0.0005489500000000, -0.0007870300000000 ] - [ -0.0000344800000000, -0.0002488400000000, -0.0007906200000000 ] - [ 0.0005059200000000, 0.0072580800000000, -0.0012289900000000 ] - [ -0.0003177900000000, -0.0002568800000000, -0.0003539300000000 ] - [ -0.0000969700000000, 0.0000885200000000, -0.0012490500000000 ] - [ -0.0013208400000000, 0.0106152500000000, -0.0109403500000000 ] - [ 0.0000605300000000, -0.0002330200000000, -0.0006480600000000 ] - [ 0.0051274500000000, -0.0041121700000000, -0.0024944300000000 ] - [ -0.0000844200000000, -0.0010292000000000, -0.0010937300000000 ] - [ -0.0006665300000000, 0.0009337900000000, 0.0022324900000000 ] - [ -0.0003069300000000, -0.0003782700000000, -0.0009013200000000 ] - [ 0.0013763800000000, -0.0000339700000000, -0.0007675700000000 ] - [ 0.0022797700000000, -0.0009987900000000, 0.0009113700000000 ] - [ -0.0013108200000000, -0.0020062200000000, 0.0000776000000000 ] - [ -0.0012052900000000, 0.0004874100000000, -0.0003826200000000 ] - [ -0.0000321300000000, 0.0002872500000000, -0.0006965200000000 ] - [ 0.0006109300000000, -0.0003949000000000, -0.0003235000000000 ] - [ 0.0002900400000000, 0.0003530100000000, -0.0006989600000000 ] - [ 0.0008428700000000, -0.0014561500000000, 0.0033719800000000 ] - [ -0.0000414200000000, 0.0001541600000000, -0.0001724000000000 ] - [ 0.0004057900000000, -0.0001724600000000, 0.0000391900000000 ] - [ 0.0018835700000000, 0.0001516400000000, 0.0021892300000000 ] - [ 0.0001567000000000, -0.0010308500000000, -0.0012328200000000 ] - [ 0.0000934400000000, -0.0004518900000000, -0.0004452800000000 ] - [ -0.0005601800000000, 0.0002482500000000, -0.0017022900000000 ] - [ -0.0001157300000000, -0.0002006700000000, -0.0006244100000000 ] - [ 0.0000040400000000, 0.0006240700000000, -0.0007875600000000 ] - [ -0.0007000200000000, -0.0003739200000000, -0.0006837300000000 ] - [ 0.0010472600000000, 0.0003158500000000, 0.0002064200000000 ] - [ 0.0030404600000000, 0.0012028400000000, 0.0001866400000000 ] - [ -0.0000980300000000, -0.0024989600000000, -0.0034920000000000 ] - [ -0.0001910600000000, -0.0003009200000000, -0.0007393700000000 ] - [ 0.0002832500000000, -0.0000125900000000, -0.0009755100000000 ] - [ -0.0005073600000000, -0.0006157000000000, -0.0017055000000000 ] - [ -0.0024178800000000, -0.0014243500000000, -0.0003222700000000 ] - [ -0.0000250300000000, 0.0010857300000000, 0.0007089700000000 ] - [ 0.0014342800000000, 0.0007095900000000, 0.0011523500000000 ] - [ -0.0005017300000000, -0.0002236900000000, -0.0005530400000000 ] - [ 0.0001141700000000, -0.0007650600000000, 0.0015627000000000 ] - [ 0.0053826600000000, 0.0027650400000000, -0.0027865200000000 ] - [ -0.0060725100000000, 0.0029200600000000, -0.0031195100000000 ]- atom: 69 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ -0.0013425900000000, 0.0019424400000000, -0.0010052700000000 ] - [ -0.0000810700000000, -0.0003302800000000, -0.0002999300000000 ] - [ 0.0040094200000000, -0.0022084100000000, 0.0006117900000000 ] - [ -0.0026131900000000, -0.0005490300000000, 0.0002448900000000 ] - [ 0.0064823900000000, -0.0052438600000000, 0.0053282500000000 ] - [ -0.0000554100000000, -0.0005707300000000, 0.0000293100000000 ] - [ -0.0001674600000000, -0.0004935800000000, -0.0001116900000000 ] - [ -0.0001089800000000, -0.0002858300000000, -0.0004980200000000 ] - [ -0.0011552400000000, 0.0007146900000000, 0.0006354000000000 ] - [ -0.0001418200000000, -0.0000425400000000, -0.0002805900000000 ] - [ -0.0087631400000000, 0.0017971100000000, 0.0055056800000000 ] - [ -0.0022820000000000, -0.0016320700000000, -0.0011292300000000 ] - [ -0.0005095800000000, 0.0001403900000000, -0.0010186800000000 ] - [ 0.0004042700000000, -0.0006715400000000, -0.0004112800000000 ] - [ -0.0010822700000000, -0.0003031900000000, -0.0003110300000000 ] - [ 0.0003922700000000, -0.0003618900000000, -0.0002839100000000 ] - [ 0.0053259300000000, 0.0039200500000000, 0.0036252100000000 ] - [ -0.0029232600000000, 0.0011828000000000, -0.0020824100000000 ] - [ -0.0005092500000000, 0.0004458400000000, -0.0007547900000000 ] - [ -0.0005069200000000, -0.0012926500000000, 0.0018263400000000 ] - [ 0.0003634800000000, -0.0009220700000000, 0.0003864700000000 ] - [ 0.0000455800000000, -0.0009208900000000, 0.0003710000000000 ] - [ -0.0010551100000000, -0.0028805700000000, -0.0016521900000000 ] - [ 0.0033740500000000, 0.0019442500000000, 0.0008924100000000 ] - [ -0.0008711300000000, 0.0013134200000000, 0.0013214300000000 ] - [ 0.0001864700000000, 0.0005920500000000, -0.0008136500000000 ] - [ 0.0001656000000000, 0.0001571300000000, -0.0002158400000000 ] - [ -0.0000432700000000, -0.0003420100000000, -0.0002621500000000 ] - [ 0.0001890600000000, 0.0003538100000000, -0.0004206900000000 ] - [ 0.0006676300000000, 0.0002271800000000, -0.0008003000000000 ] - [ 0.0001298100000000, 0.0004340100000000, -0.0009128900000000 ] - [ 0.0005503100000000, 0.0006859200000000, -0.0000497900000000 ] - [ -0.0001312700000000, -0.0003865000000000, -0.0005404000000000 ] - [ 0.0011375700000000, 0.0002214300000000, 0.0008466300000000 ] - [ -0.0024964000000000, 0.0000633600000000, 0.0027701500000000 ] - [ 0.0000245300000000, -0.0001640900000000, -0.0004077500000000 ] - [ -0.0003609300000000, 0.0006609400000000, -0.0017359200000000 ] - [ 0.0008546400000000, 0.0003153800000000, -0.0006828000000000 ] - [ -0.0031264700000000, 0.0005679200000000, -0.0037958700000000 ] - [ -0.0009308900000000, -0.0002288600000000, -0.0024143300000000 ] - [ 0.0024758300000000, -0.0019410100000000, 0.0022660700000000 ] - [ 0.0006454400000000, 0.0009175800000000, 0.0011591900000000 ] - [ -0.0017868200000000, -0.0008864600000000, -0.0008145000000000 ] - [ -0.0010675000000000, -0.0003387400000000, -0.0008012100000000 ] - [ 0.0820674900000000, 0.0021417900000000, 0.0849153100000000 ] - [ -0.0161880100000000, -0.0008331700000000, 0.0078497900000000 ] - [ 0.0006979100000000, 0.0005681900000000, -0.0009547700000000 ] - [ 0.0001772100000000, 0.0001152100000000, -0.0012129100000000 ] - [ 0.0009374300000000, 0.0007213400000000, -0.0005000700000000 ] - [ -0.0026234300000000, 0.0020436700000000, -0.0017142200000000 ] - [ 0.0004718500000000, 0.0000672300000000, 0.0008883700000000 ] - [ 0.0002303300000000, -0.0001368500000000, -0.0001744800000000 ] - [ -0.0002260800000000, -0.0001084000000000, -0.0000186200000000 ] - [ -0.0000979600000000, 0.0002262800000000, 0.0000238700000000 ] - [ 0.0014189200000000, -0.0008547900000000, -0.0005736900000000 ] - [ 0.0032891700000000, 0.0008938600000000, 0.0112855600000000 ] - [ 0.0007312500000000, -0.0003879600000000, 0.0008658100000000 ] - [ 0.0006180600000000, -0.0000538500000000, 0.0000102300000000 ] - [ -0.0005595300000000, 0.0002668400000000, -0.0006734200000000 ] - [ 0.0051269900000000, 0.0000684400000000, -0.0017547100000000 ] - [ 0.0064055100000000, -0.0005854600000000, -0.0118581100000000 ] - [ -0.0002163800000000, -0.0008895500000000, 0.0004510100000000 ] - [ -0.0007747400000000, -0.0005917200000000, -0.0031129900000000 ] - [ 0.0001071900000000, 0.0003865700000000, 0.0002470400000000 ] - [ -0.0003279300000000, 0.0002661100000000, 0.0002718100000000 ] - [ 0.0010940800000000, -0.0002549100000000, 0.0010001100000000 ] - [ -0.0000408800000000, 0.0002661100000000, 0.0002825500000000 ] - [ 0.0006443000000000, -0.0006687400000000, 0.0011702600000000 ] - [ -0.1142704100000000, -0.0045310700000000, -0.1168550000000000 ] - [ -0.0002769200000000, 0.0001761800000000, -0.0012451800000000 ] - [ 0.0022350800000000, 0.0009384100000000, -0.0013156500000000 ] - [ 0.0006107400000000, 0.0000470400000000, 0.0002338600000000 ] - [ -0.0012687600000000, 0.0001959700000000, -0.0002882000000000 ] - [ 0.0022174900000000, -0.0004042000000000, -0.0008350800000000 ] - [ -0.0004127900000000, 0.0002090900000000, 0.0007006800000000 ] - [ 0.0002370400000000, -0.0006798600000000, -0.0006512400000000 ] - [ 0.0004073300000000, 0.0011821100000000, 0.0010086400000000 ] - [ 0.0006217600000000, 0.0003836300000000, 0.0000115100000000 ] - [ 0.0001124400000000, -0.0003630100000000, 0.0005222600000000 ] - [ 0.0133370600000000, -0.0033687000000000, 0.0004185900000000 ] - [ 0.0170324900000000, 0.0009886300000000, 0.0113588900000000 ] - [ -0.0013112700000000, -0.0000399600000000, -0.0009265100000000 ] - [ -0.0002982200000000, -0.0001798100000000, 0.0004140600000000 ] - [ 0.0005999800000000, -0.0002195300000000, 0.0006413100000000 ] - [ -0.0009288000000000, 0.0009531700000000, 0.0000241400000000 ] - [ 0.0004165200000000, 0.0003220700000000, -0.0006219900000000 ] - [ -0.0005703900000000, -0.0003534000000000, 0.0004042100000000 ] - [ 0.0002530700000000, -0.0000766800000000, 0.0004260400000000 ] - [ -0.0003911900000000, 0.0004849800000000, 0.0005485500000000 ] - [ -0.0003241000000000, -0.0000352600000000, -0.0001000200000000 ] - [ -0.0004396300000000, 0.0009231200000000, 0.0008132300000000 ] - [ 0.0000453100000000, -0.0001237200000000, 0.0003862700000000 ] - [ 0.0002180600000000, -0.0002513000000000, -0.0004417000000000 ] - [ 0.0027081200000000, 0.0009421600000000, -0.0012873300000000 ] - [ -0.0006523300000000, 0.0002953700000000, 0.0004416500000000 ] - [ -0.0000213900000000, -0.0001955000000000, -0.0000654600000000 ] - [ -0.0000972400000000, -0.0008564000000000, 0.0010749300000000 ] - [ 0.0001025000000000, -0.0001586900000000, 0.0004223500000000 ] - [ 0.0005207900000000, 0.0002640200000000, 0.0014231800000000 ] - [ 0.0012679600000000, -0.0003079600000000, 0.0004488100000000 ] - [ 0.0004322000000000, 0.0001852300000000, 0.0010108100000000 ] - [ -0.0000833100000000, -0.0005179200000000, 0.0004960000000000 ] - [ 0.0002191200000000, -0.0001660400000000, 0.0008299500000000 ] - [ 0.0002598200000000, 0.0001303800000000, -0.0013209900000000 ] - [ 0.0138184100000000, 0.0072062100000000, -0.0010249000000000 ] - [ -0.0046099000000000, -0.0038014700000000, 0.0057515100000000 ] - [ -0.0001789000000000, -0.0002717800000000, 0.0002714000000000 ] - [ -0.0006049200000000, -0.0004429800000000, 0.0007964600000000 ] - [ 0.0002621400000000, -0.0004339900000000, 0.0013002000000000 ] - [ -0.0002837300000000, -0.0001848100000000, 0.0004311000000000 ] - [ -0.0003532700000000, -0.0000891900000000, -0.0007402000000000 ] - [ -0.0020481600000000, -0.0008061900000000, -0.0010995200000000 ] - [ 0.0000939900000000, -0.0006380600000000, 0.0000604500000000 ] - [ -0.0006133200000000, 0.0003713500000000, 0.0003558400000000 ] - [ 0.0005407900000000, 0.0008204000000000, -0.0004921200000000 ] - [ 0.0001624400000000, 0.0006862100000000, 0.0001708100000000 ] - [ -0.0050588200000000, 0.0042328200000000, 0.0046880000000000 ] - [ -0.0004520900000000, -0.0001795000000000, 0.0006205900000000 ] - [ 0.0002175300000000, -0.0002833600000000, 0.0003328400000000 ] - [ 0.0003245900000000, -0.0002453200000000, 0.0004451300000000 ]- atom: 69 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ 0.0011803400000000, -0.0024407100000000, 0.0009387300000000 ] - [ 0.0002979000000000, -0.0003822500000000, 0.0007868200000000 ] - [ -0.0034674700000000, 0.0012443700000000, -0.0011996200000000 ] - [ 0.0018921500000000, -0.0003012700000000, -0.0008273000000000 ] - [ -0.0062851700000000, 0.0058168100000000, -0.0046706900000000 ] - [ -0.0002340900000000, -0.0006208600000000, 0.0009735900000000 ] - [ -0.0003668800000000, -0.0004630100000000, 0.0006907400000000 ] - [ 0.0002620200000000, -0.0002130900000000, 0.0005796600000000 ] - [ 0.0009295700000000, 0.0009224500000000, -0.0004833200000000 ] - [ -0.0000041600000000, -0.0002589200000000, -0.0000306400000000 ] - [ 0.0085145500000000, -0.0006183100000000, -0.0045515000000000 ] - [ 0.0030030400000000, 0.0024616600000000, 0.0017076000000000 ] - [ 0.0002918800000000, 0.0005711100000000, 0.0005316000000000 ] - [ -0.0006239300000000, -0.0009682500000000, 0.0005717300000000 ] - [ 0.0013219300000000, -0.0003260500000000, -0.0003164200000000 ] - [ 0.0003328000000000, -0.0004821400000000, 0.0008772700000000 ] - [ -0.0052094500000000, -0.0033436200000000, -0.0034498200000000 ] - [ 0.0026833600000000, -0.0005447000000000, 0.0026938200000000 ] - [ 0.0003545500000000, 0.0000543600000000, 0.0006734000000000 ] - [ 0.0006252700000000, 0.0010011300000000, -0.0015208800000000 ] - [ -0.0000629600000000, -0.0002703600000000, -0.0013897000000000 ] - [ 0.0001768600000000, -0.0007180000000000, -0.0005278700000000 ] - [ 0.0008111500000000, 0.0021736600000000, 0.0011539300000000 ] - [ -0.0035034000000000, -0.0016337100000000, -0.0011990700000000 ] - [ 0.0003198000000000, -0.0003623600000000, -0.0007374800000000 ] - [ 0.0001031700000000, 0.0005994900000000, -0.0001879800000000 ] - [ -0.0000210000000000, 0.0001442100000000, 0.0005282900000000 ] - [ -0.0001962600000000, -0.0002907600000000, 0.0008942800000000 ] - [ 0.0003447500000000, 0.0006034800000000, -0.0001574000000000 ] - [ -0.0004262200000000, 0.0004058200000000, 0.0001693500000000 ] - [ -0.0008525700000000, 0.0004094800000000, 0.0003200500000000 ] - [ -0.0003294300000000, 0.0009530900000000, -0.0001066000000000 ] - [ 0.0009562500000000, -0.0004187900000000, 0.0011824500000000 ] - [ -0.0030465000000000, 0.0004200200000000, -0.0010444900000000 ] - [ 0.0022948300000000, 0.0002512400000000, -0.0017812000000000 ] - [ -0.0002103300000000, -0.0001502900000000, 0.0014054800000000 ] - [ -0.0012860400000000, 0.0012004300000000, 0.0000965100000000 ] - [ 0.0010823600000000, 0.0003330200000000, 0.0008395200000000 ] - [ 0.0023151800000000, 0.0002352500000000, 0.0031762800000000 ] - [ 0.0000991700000000, -0.0005775700000000, 0.0017759200000000 ] - [ -0.0008347400000000, 0.0000757400000000, -0.0006098500000000 ] - [ 0.0010012800000000, 0.0009428500000000, 0.0004802600000000 ] - [ 0.0001312700000000, -0.0009751600000000, -0.0008221900000000 ] - [ -0.0008682500000000, -0.0003090000000000, 0.0006448900000000 ] - [ -0.0810710000000000, -0.0029348500000000, -0.0881056800000000 ] - [ 0.0162646800000000, 0.0005109600000000, -0.0087892700000000 ] - [ 0.0001354100000000, 0.0002372900000000, 0.0015999900000000 ] - [ 0.0000089500000000, 0.0001995800000000, 0.0002167500000000 ] - [ -0.0014720100000000, -0.0011990100000000, 0.0005004300000000 ] - [ 0.0038706600000000, -0.0020958200000000, 0.0011453000000000 ] - [ 0.0002472400000000, 0.0001014100000000, 0.0002009200000000 ] - [ -0.0000250900000000, -0.0003685000000000, 0.0001865800000000 ] - [ -0.0004949400000000, -0.0000595600000000, -0.0010733800000000 ] - [ 0.0002615700000000, 0.0002347200000000, -0.0002851200000000 ] - [ -0.0009373300000000, 0.0007030500000000, 0.0003801500000000 ] - [ -0.0029280300000000, 0.0004127200000000, -0.0103124300000000 ] - [ -0.0007822800000000, -0.0001869700000000, -0.0010920400000000 ] - [ 0.0005801600000000, 0.0001580300000000, -0.0005996900000000 ] - [ 0.0007527300000000, 0.0002403400000000, 0.0006823100000000 ] - [ -0.0061354900000000, -0.0006976200000000, 0.0017228700000000 ] - [ -0.0056688200000000, 0.0004062700000000, 0.0127861600000000 ] - [ -0.0002953600000000, -0.0008499800000000, 0.0004657700000000 ] - [ 0.0000934000000000, 0.0006503200000000, 0.0027533000000000 ] - [ 0.0000860000000000, 0.0001403400000000, -0.0003791700000000 ] - [ -0.0001823400000000, 0.0002912400000000, -0.0004248100000000 ] - [ -0.0002782100000000, -0.0001141700000000, 0.0007488800000000 ] - [ 0.0001731300000000, 0.0002326400000000, -0.0000110400000000 ] - [ -0.0002680200000000, -0.0006387900000000, -0.0002495200000000 ] - [ 0.1147635300000000, 0.0051107000000000, 0.1192159000000000 ] - [ -0.0004278600000000, -0.0000081600000000, 0.0001603400000000 ] - [ -0.0012293300000000, -0.0003035300000000, 0.0013379700000000 ] - [ 0.0000882300000000, 0.0000069500000000, 0.0001202000000000 ] - [ 0.0017626600000000, 0.0003629800000000, 0.0004482600000000 ] - [ -0.0023422700000000, 0.0009075800000000, 0.0005717200000000 ] - [ -0.0000399200000000, 0.0003897500000000, -0.0005819300000000 ] - [ -0.0000766600000000, 0.0002159300000000, 0.0003902700000000 ] - [ -0.0005613200000000, -0.0007639900000000, -0.0019066100000000 ] - [ -0.0001657700000000, 0.0002135000000000, -0.0001312100000000 ] - [ -0.0000533000000000, -0.0002160800000000, -0.0002994000000000 ] - [ -0.0126205300000000, 0.0037300400000000, -0.0003721900000000 ] - [ -0.0179877600000000, -0.0015822900000000, -0.0117847400000000 ] - [ 0.0004936800000000, -0.0003269400000000, -0.0008213000000000 ] - [ 0.0001350800000000, -0.0002802400000000, -0.0001540800000000 ] - [ -0.0007510400000000, -0.0001944800000000, -0.0015485500000000 ] - [ 0.0004241400000000, 0.0007858800000000, 0.0008847600000000 ] - [ -0.0002877400000000, -0.0008170000000000, 0.0008929900000000 ] - [ 0.0010183900000000, -0.0002458400000000, -0.0005228000000000 ] - [ 0.0002855900000000, -0.0003972000000000, -0.0004280000000000 ] - [ -0.0001465100000000, -0.0000114100000000, -0.0005471000000000 ] - [ -0.0003739700000000, -0.0000189800000000, -0.0002538700000000 ] - [ 0.0004877400000000, -0.0003388100000000, -0.0005843000000000 ] - [ -0.0002396800000000, -0.0004038000000000, -0.0002547900000000 ] - [ -0.0004090800000000, -0.0002557300000000, 0.0004232100000000 ] - [ -0.0028658400000000, -0.0004850600000000, 0.0015592600000000 ] - [ 0.0004517900000000, 0.0002117000000000, -0.0004564000000000 ] - [ -0.0004272800000000, -0.0001870400000000, -0.0010097000000000 ] - [ 0.0007912800000000, 0.0008007400000000, -0.0007183000000000 ] - [ 0.0003725600000000, 0.0003168000000000, -0.0006147600000000 ] - [ 0.0002941400000000, 0.0001025900000000, 0.0003223100000000 ] - [ -0.0017214200000000, -0.0002898200000000, -0.0003268200000000 ] - [ 0.0000152800000000, 0.0001972300000000, 0.0000623700000000 ] - [ 0.0005910500000000, -0.0012196300000000, -0.0014120200000000 ] - [ -0.0000615800000000, -0.0002439000000000, 0.0000760400000000 ] - [ -0.0010733500000000, 0.0002361200000000, -0.0004276600000000 ] - [ -0.0141060900000000, -0.0068717900000000, 0.0012360800000000 ] - [ 0.0044825800000000, 0.0043673900000000, -0.0056627800000000 ] - [ 0.0000477500000000, -0.0002265600000000, -0.0005442900000000 ] - [ 0.0007516800000000, 0.0008466800000000, 0.0001132700000000 ] - [ -0.0003194000000000, 0.0010056600000000, -0.0015132400000000 ] - [ -0.0001902900000000, 0.0000281900000000, -0.0002397100000000 ] - [ 0.0008058500000000, -0.0002928800000000, 0.0018231200000000 ] - [ 0.0022705100000000, 0.0002416600000000, 0.0009837300000000 ] - [ -0.0004673200000000, -0.0006701800000000, -0.0009792500000000 ] - [ -0.0003872300000000, 0.0002583300000000, -0.0003812800000000 ] - [ -0.0000285700000000, 0.0009188600000000, -0.0004230300000000 ] - [ -0.0005398500000000, 0.0006217100000000, -0.0010933700000000 ] - [ 0.0039178600000000, -0.0041674500000000, -0.0041415900000000 ] - [ -0.0007472800000000, 0.0000767100000000, -0.0000322100000000 ] - [ 0.0002906800000000, -0.0002741800000000, -0.0001798300000000 ] - [ 0.0006745800000000, -0.0003848600000000, -0.0004201600000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024949700000000, -0.0028569700000000, 0.0005168800000000 ] - [ 0.0001079700000000, -0.0003534400000000, 0.0002200400000000 ] - [ -0.0025673300000000, -0.0001848700000000, 0.0013079500000000 ] - [ -0.0004133000000000, -0.0002234900000000, -0.0003671400000000 ] - [ -0.0074308300000000, 0.0218984500000000, -0.0105612500000000 ] - [ -0.0001475900000000, -0.0005584800000000, 0.0004693100000000 ] - [ -0.0002129900000000, -0.0005171900000000, 0.0002546200000000 ] - [ 0.0000586900000000, -0.0002324100000000, -0.0000003100000000 ] - [ 0.0000875000000000, 0.0012169800000000, 0.0000451100000000 ] - [ -0.0000180900000000, -0.0001894500000000, -0.0002497100000000 ] - [ -0.0002785200000000, 0.0012328700000000, 0.0007096700000000 ] - [ -0.0005070100000000, -0.0010599100000000, -0.0005597500000000 ] - [ -0.0000837700000000, 0.0003841900000000, -0.0002333400000000 ] - [ -0.0001058300000000, -0.0005076000000000, -0.0000796200000000 ] - [ 0.0000711900000000, -0.0002852900000000, -0.0003492500000000 ] - [ 0.0003486600000000, -0.0004475900000000, 0.0002350100000000 ] - [ 0.0053855900000000, 0.0185468900000000, 0.0086334900000000 ] - [ 0.0004381900000000, -0.0001140200000000, 0.0015923600000000 ] - [ -0.0001176300000000, 0.0002923400000000, -0.0000456400000000 ] - [ -0.0023129900000000, -0.0004172600000000, 0.0016525800000000 ] - [ 0.0004106300000000, -0.0013228500000000, -0.0005201700000000 ] - [ 0.0000283600000000, -0.0010560000000000, -0.0000268000000000 ] - [ -0.0028500400000000, -0.0023324500000000, -0.0008521500000000 ] - [ 0.0024993700000000, 0.0002858600000000, -0.0016265600000000 ] - [ 0.0014797200000000, -0.0004642800000000, -0.0005128100000000 ] - [ 0.0001464200000000, 0.0005489600000000, -0.0005164500000000 ] - [ 0.0000607700000000, 0.0001435900000000, 0.0001626400000000 ] - [ -0.0001029400000000, -0.0003558400000000, 0.0003818500000000 ] - [ 0.0002180000000000, 0.0005910100000000, -0.0003180200000000 ] - [ 0.0000241900000000, 0.0002705300000000, -0.0004418400000000 ] - [ -0.0003114200000000, 0.0005044600000000, -0.0003275700000000 ] - [ 0.0001138800000000, 0.0004924400000000, 0.0001452600000000 ] - [ 0.0004243800000000, -0.0005250500000000, 0.0002639900000000 ] - [ -0.0003058300000000, -0.0131702500000000, -0.0010648200000000 ] - [ -0.0005352700000000, -0.0003848000000000, 0.0002885900000000 ] - [ -0.0000832000000000, -0.0001313800000000, 0.0004667300000000 ] - [ -0.0006255400000000, -0.0008886100000000, -0.0003789700000000 ] - [ 0.0009774200000000, 0.0002961400000000, 0.0000439400000000 ] - [ -0.0007110100000000, -0.0002500500000000, -0.0002204500000000 ] - [ -0.0003282600000000, 0.0007893400000000, -0.0002860800000000 ] - [ 0.0004997400000000, 0.0023560000000000, -0.0000182600000000 ] - [ 0.0007902800000000, 0.0009847300000000, 0.0007730400000000 ] - [ -0.0008513900000000, -0.0010842300000000, -0.0006823000000000 ] - [ -0.0009701000000000, -0.0003218600000000, -0.0001033500000000 ] - [ 0.0051859300000000, 0.0347305300000000, 0.0080106100000000 ] - [ -0.0006386200000000, 0.0096737400000000, -0.0004082600000000 ] - [ 0.0004739800000000, -0.0009342400000000, 0.0002797300000000 ] - [ 0.0000922500000000, 0.0001808300000000, -0.0005495600000000 ] - [ -0.0000468200000000, -0.0000583400000000, -0.0001543200000000 ] - [ 0.0082224600000000, 0.0212946500000000, 0.0010010000000000 ] - [ 0.0003772900000000, 0.0000801300000000, 0.0006056100000000 ] - [ -0.0001887200000000, -0.0008413500000000, 0.0003719700000000 ] - [ -0.0003614600000000, -0.0000884400000000, -0.0005377500000000 ] - [ 0.0000775300000000, 0.0002938100000000, -0.0000826800000000 ] - [ 0.0000929100000000, 0.0002154000000000, 0.0000961300000000 ] - [ 0.0003273300000000, -0.0030247000000000, 0.0005820000000000 ] - [ -0.0007057400000000, -0.0007816500000000, -0.0005078100000000 ] - [ 0.0006001500000000, 0.0000477600000000, -0.0002821900000000 ] - [ 0.0001596800000000, -0.0001760600000000, -0.0000192100000000 ] - [ -0.0000975300000000, -0.0016535900000000, -0.0001026900000000 ] - [ -0.0001564500000000, -0.0040880200000000, 0.0010092300000000 ] - [ -0.0002686200000000, -0.0009347800000000, 0.0004436500000000 ] - [ -0.0019053800000000, -0.0011028200000000, 0.0028772900000000 ] - [ 0.0001043500000000, 0.0002696900000000, -0.0000600700000000 ] - [ -0.0002584000000000, 0.0002836100000000, -0.0000613600000000 ] - [ 0.0003820700000000, 0.0000629200000000, 0.0007825700000000 ] - [ 0.0000740300000000, 0.0002611500000000, 0.0000196700000000 ] - [ 0.0001909900000000, -0.0008349300000000, 0.0005064800000000 ] - [ -0.0058483000000000, -0.0961117100000000, -0.0065836700000000 ] - [ 0.0001529500000000, 0.0014638800000000, -0.0003120800000000 ] - [ 0.0008431400000000, 0.0009305100000000, -0.0001519400000000 ] - [ 0.0003429100000000, 0.0000388100000000, 0.0001591400000000 ] - [ -0.0002118000000000, 0.0025815300000000, 0.0003600800000000 ] - [ 0.0002874700000000, 0.0000877400000000, -0.0000052100000000 ] - [ -0.0002995400000000, 0.0000270200000000, -0.0000618600000000 ] - [ -0.0001748500000000, -0.0000941600000000, -0.0000060200000000 ] - [ -0.0001503800000000, -0.0000060000000000, -0.0007042400000000 ] - [ 0.0002043700000000, 0.0003904500000000, -0.0000085600000000 ] - [ 0.0000218600000000, -0.0002636200000000, 0.0001682200000000 ] - [ -0.0078604400000000, -0.0012752800000000, 0.0006494100000000 ] - [ 0.0010225200000000, -0.0060617700000000, 0.0000843000000000 ] - [ -0.0002647700000000, -0.0006038700000000, -0.0006412600000000 ] - [ -0.0000807600000000, -0.0002436400000000, 0.0001181400000000 ] - [ 0.0005914300000000, -0.0007254700000000, 0.0001290400000000 ] - [ 0.0001403700000000, -0.0001319400000000, -0.0007859800000000 ] - [ 0.0002340000000000, -0.0001840100000000, -0.0000071100000000 ] - [ 0.0002080000000000, 0.0000792100000000, 0.0000205800000000 ] - [ 0.0002601400000000, -0.0002224400000000, 0.0000231500000000 ] - [ -0.0002480000000000, 0.0002187100000000, -0.0000094300000000 ] - [ -0.0003291100000000, -0.0000564400000000, -0.0001927600000000 ] - [ -0.0005086700000000, 0.0004747500000000, 0.0003467300000000 ] - [ -0.0001015200000000, -0.0002570000000000, 0.0001006700000000 ] - [ -0.0000405100000000, 0.0002757200000000, -0.0000769800000000 ] - [ -0.0002893000000000, -0.0001545300000000, -0.0001087700000000 ] - [ -0.0000763000000000, 0.0006171500000000, -0.0001476800000000 ] - [ -0.0002185000000000, -0.0001856800000000, -0.0005143600000000 ] - [ 0.0006173000000000, 0.0014622900000000, -0.0009333500000000 ] - [ 0.0002158600000000, 0.0000457300000000, -0.0000512400000000 ] - [ 0.0004017300000000, 0.0005408600000000, 0.0008196200000000 ] - [ -0.0000511500000000, -0.0004641900000000, -0.0001644300000000 ] - [ 0.0002286600000000, 0.0001875800000000, 0.0005478700000000 ] - [ -0.0000499100000000, 0.0004235800000000, 0.0006953100000000 ] - [ 0.0000813800000000, -0.0001363900000000, 0.0004729800000000 ] - [ -0.0003967500000000, 0.0000173100000000, -0.0008432700000000 ] - [ 0.0106766800000000, 0.0005608400000000, -0.0012084900000000 ] - [ -0.0049766000000000, 0.0016272600000000, -0.0124352800000000 ] - [ -0.0000797100000000, -0.0002824400000000, -0.0000220300000000 ] - [ 0.0005921100000000, 0.0000307300000000, 0.0007223600000000 ] - [ 0.0001384900000000, 0.0001137900000000, 0.0001463600000000 ] - [ -0.0002339000000000, -0.0001028000000000, 0.0001152900000000 ] - [ 0.0003181900000000, 0.0028405800000000, 0.0007422300000000 ] - [ -0.0050363600000000, 0.0166703600000000, -0.0017270600000000 ] - [ -0.0001714100000000, -0.0003261200000000, -0.0003811600000000 ] - [ -0.0005049400000000, 0.0003135300000000, 0.0000395900000000 ] - [ 0.0002526400000000, 0.0010192800000000, -0.0004515400000000 ] - [ -0.0001937900000000, 0.0008364300000000, -0.0004645000000000 ] - [ 0.0039181900000000, 0.0011705200000000, 0.0104947800000000 ] - [ -0.0006249200000000, -0.0000428200000000, 0.0002968700000000 ] - [ 0.0002489700000000, -0.0002737600000000, 0.0000890400000000 ] - [ 0.0004945600000000, -0.0003145500000000, 0.0000179800000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0026421200000000, 0.0023763400000000, -0.0005787100000000 ] - [ 0.0001091000000000, -0.0003581400000000, 0.0002640100000000 ] - [ 0.0030958800000000, -0.0007650500000000, -0.0018948700000000 ] - [ -0.0003157000000000, -0.0006120800000000, -0.0002280300000000 ] - [ 0.0082253700000000, -0.0220748500000000, 0.0119836700000000 ] - [ -0.0001421900000000, -0.0006330400000000, 0.0005317400000000 ] - [ -0.0003216700000000, -0.0004400200000000, 0.0003225100000000 ] - [ 0.0000938400000000, -0.0002673500000000, 0.0000784700000000 ] - [ -0.0003073700000000, 0.0004229500000000, 0.0001161900000000 ] - [ -0.0001258300000000, -0.0001118000000000, -0.0000650300000000 ] - [ -0.0000363200000000, -0.0000354800000000, 0.0003193900000000 ] - [ 0.0012355500000000, 0.0019035400000000, 0.0011499400000000 ] - [ -0.0001328700000000, 0.0003277300000000, -0.0002539200000000 ] - [ -0.0001157200000000, -0.0011335200000000, 0.0002381700000000 ] - [ 0.0001660400000000, -0.0003493600000000, -0.0002829500000000 ] - [ 0.0003771400000000, -0.0003963800000000, 0.0003569800000000 ] - [ -0.0047807900000000, -0.0172332100000000, -0.0077454500000000 ] - [ -0.0006749700000000, 0.0007471800000000, -0.0009607100000000 ] - [ -0.0000352100000000, 0.0002076400000000, -0.0000357500000000 ] - [ 0.0024754700000000, 0.0001020000000000, -0.0013555600000000 ] - [ -0.0001308500000000, 0.0001344700000000, -0.0004706900000000 ] - [ 0.0001931500000000, -0.0005822000000000, -0.0001322700000000 ] - [ 0.0026270500000000, 0.0016004300000000, 0.0003522400000000 ] - [ -0.0026447100000000, 0.0000090600000000, 0.0013200200000000 ] - [ -0.0019863200000000, 0.0014301600000000, 0.0010855100000000 ] - [ 0.0001436000000000, 0.0006434800000000, -0.0004890400000000 ] - [ 0.0000835000000000, 0.0001585400000000, 0.0001476000000000 ] - [ -0.0001371200000000, -0.0002752400000000, 0.0002486000000000 ] - [ 0.0003173000000000, 0.0003664300000000, -0.0002639900000000 ] - [ 0.0002140400000000, 0.0003603900000000, -0.0001918600000000 ] - [ -0.0004150500000000, 0.0003403600000000, -0.0002688400000000 ] - [ 0.0001055400000000, 0.0011502500000000, -0.0003109100000000 ] - [ 0.0004095500000000, -0.0002808400000000, 0.0003782000000000 ] - [ -0.0016592700000000, 0.0138188400000000, 0.0009789300000000 ] - [ 0.0003591000000000, 0.0006990600000000, 0.0007350600000000 ] - [ -0.0001013500000000, -0.0001818100000000, 0.0005253600000000 ] - [ -0.0010229800000000, 0.0027483900000000, -0.0012591100000000 ] - [ 0.0009584600000000, 0.0003516400000000, 0.0001114000000000 ] - [ -0.0001029800000000, 0.0010564900000000, -0.0003983600000000 ] - [ -0.0005018700000000, -0.0015938000000000, -0.0003653200000000 ] - [ 0.0011473700000000, -0.0042183100000000, 0.0016469200000000 ] - [ 0.0008566800000000, 0.0008782200000000, 0.0008562200000000 ] - [ -0.0007859700000000, -0.0007771000000000, -0.0009538600000000 ] - [ -0.0009672300000000, -0.0003246800000000, -0.0000559700000000 ] - [ -0.0024794300000000, -0.0352447700000000, -0.0065741000000000 ] - [ 0.0008330700000000, -0.0099810800000000, -0.0005387200000000 ] - [ 0.0003432500000000, 0.0017389600000000, 0.0003699100000000 ] - [ 0.0000920800000000, 0.0001335000000000, -0.0004506600000000 ] - [ -0.0004911000000000, -0.0004066000000000, 0.0001502500000000 ] - [ -0.0071714700000000, -0.0216700000000000, -0.0015390900000000 ] - [ 0.0003450900000000, 0.0000888200000000, 0.0004932900000000 ] - [ 0.0003821100000000, 0.0003343700000000, -0.0003531000000000 ] - [ -0.0003583100000000, -0.0000798400000000, -0.0005552100000000 ] - [ 0.0000847500000000, 0.0001689200000000, -0.0001760900000000 ] - [ 0.0003821900000000, -0.0003797900000000, -0.0002934300000000 ] - [ 0.0000384200000000, 0.0043297600000000, 0.0003124800000000 ] - [ 0.0006493200000000, 0.0002041100000000, 0.0002887800000000 ] - [ 0.0005972800000000, 0.0000543600000000, -0.0003065600000000 ] - [ 0.0000387900000000, 0.0006832100000000, 0.0000380100000000 ] - [ -0.0008935900000000, 0.0010197100000000, 0.0000671700000000 ] - [ 0.0008270100000000, 0.0039271800000000, 0.0001197800000000 ] - [ -0.0002406100000000, -0.0008043700000000, 0.0004745100000000 ] - [ 0.0011981800000000, 0.0011488400000000, -0.0032164000000000 ] - [ 0.0000899800000000, 0.0002613900000000, -0.0000703700000000 ] - [ -0.0002497400000000, 0.0002744600000000, -0.0000898400000000 ] - [ 0.0004273300000000, -0.0004302400000000, 0.0009625400000000 ] - [ 0.0000572900000000, 0.0002365700000000, 0.0002567500000000 ] - [ 0.0001832100000000, -0.0004735200000000, 0.0004175700000000 ] - [ 0.0037847100000000, 0.0964581100000000, 0.0026262300000000 ] - [ -0.0008979200000000, -0.0012948100000000, -0.0007969100000000 ] - [ 0.0001551300000000, -0.0002986600000000, 0.0001715100000000 ] - [ 0.0003496100000000, 0.0000162100000000, 0.0001970300000000 ] - [ 0.0007386300000000, -0.0020259200000000, -0.0002228700000000 ] - [ -0.0004177500000000, 0.0004037900000000, -0.0002731600000000 ] - [ -0.0001572700000000, 0.0005706700000000, 0.0001839300000000 ] - [ 0.0003382100000000, -0.0003622600000000, -0.0002576200000000 ] - [ -0.0000046100000000, 0.0004218000000000, -0.0002008700000000 ] - [ 0.0002521500000000, 0.0002082400000000, -0.0001116100000000 ] - [ 0.0000357300000000, -0.0003134200000000, 0.0000570200000000 ] - [ 0.0084615700000000, 0.0017574900000000, -0.0006567500000000 ] - [ -0.0014966700000000, 0.0055158700000000, -0.0002034200000000 ] - [ -0.0005473100000000, 0.0002384300000000, -0.0011006000000000 ] - [ -0.0000804600000000, -0.0002175600000000, 0.0001432000000000 ] - [ -0.0007469800000000, 0.0003150200000000, -0.0010314900000000 ] - [ -0.0006515700000000, 0.0018742900000000, 0.0017133800000000 ] - [ -0.0001034600000000, -0.0003179800000000, 0.0002791300000000 ] - [ 0.0002531800000000, -0.0006763200000000, -0.0001411300000000 ] - [ 0.0002780000000000, -0.0002501500000000, -0.0000260200000000 ] - [ -0.0002905400000000, 0.0002561300000000, 0.0000156200000000 ] - [ -0.0003665100000000, 0.0000042200000000, -0.0001594500000000 ] - [ 0.0005467300000000, 0.0000862200000000, -0.0001335100000000 ] - [ -0.0000945100000000, -0.0002715400000000, 0.0000331500000000 ] - [ -0.0001639300000000, -0.0007820900000000, 0.0000674400000000 ] - [ 0.0001307000000000, 0.0006220700000000, 0.0003619900000000 ] - [ -0.0001234200000000, -0.0001103300000000, 0.0001335700000000 ] - [ -0.0002280200000000, -0.0001983800000000, -0.0005562200000000 ] - [ 0.0000778500000000, -0.0015191900000000, 0.0012894700000000 ] - [ 0.0002610300000000, 0.0001132600000000, -0.0001394900000000 ] - [ 0.0004133200000000, -0.0001734800000000, 0.0009271500000000 ] - [ -0.0004037600000000, -0.0001333400000000, 0.0002859400000000 ] - [ 0.0002177100000000, 0.0001986000000000, 0.0005238000000000 ] - [ 0.0005576500000000, -0.0021597000000000, -0.0016119600000000 ] - [ 0.0000754700000000, -0.0002750900000000, 0.0004352100000000 ] - [ -0.0004167100000000, 0.0003486500000000, -0.0008977700000000 ] - [ -0.0110532900000000, -0.0003998800000000, 0.0013910900000000 ] - [ 0.0047724100000000, -0.0010716000000000, 0.0124056900000000 ] - [ -0.0000514200000000, -0.0002142200000000, -0.0002508400000000 ] - [ -0.0004549200000000, 0.0004001300000000, 0.0001643600000000 ] - [ -0.0001932900000000, 0.0004594800000000, -0.0003663100000000 ] - [ -0.0002411100000000, -0.0000524900000000, 0.0000754800000000 ] - [ 0.0001158900000000, -0.0032237800000000, 0.0002888400000000 ] - [ 0.0051453400000000, -0.0170279500000000, 0.0016162900000000 ] - [ -0.0002041300000000, -0.0009811600000000, -0.0005419700000000 ] - [ -0.0004980200000000, 0.0003188200000000, -0.0000610500000000 ] - [ 0.0002542200000000, 0.0007199800000000, -0.0004661600000000 ] - [ -0.0001815900000000, 0.0004745900000000, -0.0004606200000000 ] - [ -0.0051311600000000, -0.0010939000000000, -0.0100591300000000 ] - [ -0.0005730100000000, -0.0000592600000000, 0.0002941900000000 ] - [ 0.0002590300000000, -0.0002841200000000, 0.0000647000000000 ] - [ 0.0005066600000000, -0.0003168100000000, 0.0000081100000000 ]- atom: 69 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ -0.0035987000000000, 0.0031751000000000, -0.0001613100000000 ] - [ 0.0000107100000000, -0.0003482600000000, -0.0010226400000000 ] - [ 0.0026386900000000, 0.0016685900000000, -0.0030140900000000 ] - [ 0.0002204700000000, -0.0001320800000000, 0.0004986200000000 ] - [ 0.0009084000000000, -0.0040518300000000, 0.0078080700000000 ] - [ -0.0000880600000000, -0.0005585000000000, -0.0008221600000000 ] - [ -0.0001694400000000, -0.0006957500000000, -0.0009733300000000 ] - [ 0.0000638700000000, -0.0002841000000000, -0.0012355300000000 ] - [ 0.0001295700000000, 0.0004693900000000, 0.0008368000000000 ] - [ 0.0002198100000000, -0.0002926000000000, -0.0012560200000000 ] - [ 0.0006650400000000, 0.0005178600000000, 0.0030049900000000 ] - [ 0.0005932800000000, 0.0007383800000000, 0.0021679600000000 ] - [ -0.0005892400000000, -0.0001305600000000, -0.0015298700000000 ] - [ -0.0001802100000000, -0.0006836600000000, -0.0014817000000000 ] - [ 0.0005471600000000, -0.0007219700000000, -0.0000140400000000 ] - [ 0.0002086800000000, -0.0003084900000000, -0.0010517900000000 ] - [ 0.0000104600000000, 0.0033904500000000, 0.0060632200000000 ] - [ -0.0001055500000000, 0.0004889400000000, 0.0019460300000000 ] - [ -0.0005447700000000, 0.0007110000000000, -0.0012238900000000 ] - [ 0.0022647900000000, 0.0011470500000000, 0.0009053700000000 ] - [ -0.0000396200000000, -0.0004760700000000, 0.0012940600000000 ] - [ 0.0003724600000000, -0.0008259500000000, -0.0005527500000000 ] - [ -0.0036944400000000, -0.0032639000000000, -0.0001530400000000 ] - [ 0.0017688000000000, -0.0019928700000000, -0.0026013600000000 ] - [ 0.0017238800000000, -0.0011157800000000, 0.0015163400000000 ] - [ 0.0002633000000000, 0.0006785000000000, -0.0016644300000000 ] - [ 0.0001492400000000, 0.0003025400000000, -0.0011156000000000 ] - [ -0.0002660100000000, -0.0004497800000000, -0.0008472100000000 ] - [ 0.0005219500000000, 0.0006086500000000, -0.0014099300000000 ] - [ 0.0001660800000000, -0.0004910000000000, -0.0015537400000000 ] - [ -0.0002387900000000, 0.0008030900000000, -0.0019508100000000 ] - [ 0.0003408800000000, 0.0014529300000000, -0.0009937400000000 ] - [ 0.0002269200000000, -0.0004205100000000, -0.0010707700000000 ] - [ -0.0033545600000000, 0.0005189000000000, 0.0096542200000000 ] - [ 0.0005030400000000, 0.0003649800000000, 0.0041584400000000 ] - [ -0.0001514800000000, -0.0001789800000000, -0.0015751600000000 ] - [ -0.0008184100000000, 0.0004101600000000, -0.0029917300000000 ] - [ 0.0010325300000000, 0.0002678200000000, -0.0018297700000000 ] - [ -0.0051539900000000, 0.0008021200000000, -0.0049879000000000 ] - [ -0.0008611800000000, -0.0002794000000000, -0.0020981900000000 ] - [ 0.0028464100000000, 0.0011393000000000, -0.0044123000000000 ] - [ 0.0019185800000000, 0.0010850400000000, -0.0011687700000000 ] - [ -0.0001860900000000, -0.0010620400000000, -0.0007863100000000 ] - [ -0.0008191100000000, -0.0003823100000000, -0.0018728000000000 ] - [ 0.0448038900000000, 0.0029158700000000, 0.1146369100000000 ] - [ 0.0089578200000000, 0.0006271300000000, 0.0112630800000000 ] - [ -0.0002369100000000, 0.0005848900000000, 0.0001201600000000 ] - [ 0.0001492000000000, 0.0000744800000000, -0.0025725400000000 ] - [ -0.0001346300000000, 0.0004022500000000, -0.0012737300000000 ] - [ -0.0012635800000000, -0.0077053600000000, -0.0053000600000000 ] - [ 0.0006677200000000, 0.0000565900000000, 0.0018039300000000 ] - [ -0.0013558900000000, -0.0006133700000000, 0.0014480600000000 ] - [ 0.0000164100000000, -0.0001441700000000, 0.0007375400000000 ] - [ -0.0001343000000000, 0.0004656400000000, 0.0006189500000000 ] - [ 0.0005467500000000, -0.0008501700000000, -0.0013964300000000 ] - [ 0.0083999100000000, 0.0008578000000000, 0.0158790500000000 ] - [ 0.0008969300000000, -0.0000301000000000, 0.0004205800000000 ] - [ 0.0004546200000000, -0.0002554300000000, 0.0005561900000000 ] - [ -0.0006124300000000, 0.0002491600000000, 0.0017205600000000 ] - [ -0.0018053000000000, -0.0004312500000000, -0.0023062500000000 ] - [ -0.0136276700000000, 0.0003648400000000, 0.0082237700000000 ] - [ -0.0004101400000000, -0.0011635800000000, 0.0011875600000000 ] - [ -0.0043556400000000, 0.0017534200000000, 0.0059344400000000 ] - [ -0.0000600200000000, 0.0006391100000000, 0.0007994700000000 ] - [ -0.0005586800000000, 0.0002623300000000, 0.0007463500000000 ] - [ 0.0003548800000000, -0.0002451900000000, 0.0004705500000000 ] - [ -0.0000830200000000, 0.0000746300000000, 0.0011596500000000 ] - [ 0.0004926100000000, -0.0006858600000000, 0.0016596800000000 ] - [ -0.0519427000000000, -0.0016699600000000, -0.1564372500000000 ] - [ -0.0018516800000000, -0.0001297400000000, -0.0027004900000000 ] - [ 0.0003188800000000, 0.0003621200000000, -0.0013690800000000 ] - [ 0.0001906000000000, 0.0000164700000000, 0.0004213500000000 ] - [ 0.0017980100000000, 0.0003202600000000, -0.0022774800000000 ] - [ -0.0009942700000000, 0.0002464500000000, -0.0014168700000000 ] - [ -0.0000831800000000, 0.0001577100000000, 0.0009441200000000 ] - [ -0.0006173500000000, 0.0006235500000000, -0.0002744800000000 ] - [ 0.0008779600000000, 0.0016398700000000, 0.0015025000000000 ] - [ 0.0000058600000000, 0.0003465800000000, 0.0003336600000000 ] - [ 0.0000199000000000, -0.0005340500000000, 0.0009003600000000 ] - [ 0.0006735200000000, 0.0017769800000000, -0.0049748900000000 ] - [ 0.0024617400000000, -0.0002435300000000, -0.0082033300000000 ] - [ -0.0003119300000000, -0.0002942500000000, 0.0007883900000000 ] - [ -0.0001726100000000, -0.0002244600000000, 0.0010806700000000 ] - [ 0.0008332500000000, -0.0004780500000000, 0.0002890600000000 ] - [ -0.0014343400000000, -0.0003373600000000, 0.0021959200000000 ] - [ -0.0007675700000000, -0.0010331000000000, -0.0000779300000000 ] - [ 0.0005197800000000, -0.0002427800000000, 0.0001717700000000 ] - [ 0.0002869700000000, 0.0002003500000000, 0.0010968400000000 ] - [ -0.0002979200000000, 0.0007735300000000, 0.0011363700000000 ] - [ -0.0005781100000000, 0.0004152100000000, 0.0007527800000000 ] - [ 0.0003351700000000, -0.0000788300000000, -0.0009526200000000 ] - [ -0.0001243200000000, 0.0000541000000000, 0.0009249400000000 ] - [ -0.0007468900000000, -0.0002494500000000, -0.0000297800000000 ] - [ -0.0007464100000000, 0.0003214800000000, -0.0010619200000000 ] - [ -0.0007660100000000, 0.0002953300000000, 0.0012548700000000 ] - [ 0.0001037500000000, -0.0002082000000000, 0.0006264200000000 ] - [ -0.0000615900000000, -0.0013827700000000, 0.0016565700000000 ] - [ 0.0001475900000000, -0.0003942300000000, 0.0009316600000000 ] - [ 0.0008868000000000, 0.0003630600000000, 0.0020676300000000 ] - [ 0.0015369300000000, -0.0006128900000000, -0.0000733600000000 ] - [ 0.0005506000000000, 0.0001843500000000, 0.0015528500000000 ] - [ 0.0000097200000000, -0.0001062800000000, 0.0012378300000000 ] - [ 0.0001783800000000, -0.0000182500000000, 0.0010970400000000 ] - [ -0.0007653200000000, 0.0001450900000000, -0.0001520600000000 ] - [ -0.0009868400000000, -0.0024781100000000, -0.0051490500000000 ] - [ 0.0069323500000000, -0.0059852700000000, 0.0088976600000000 ] - [ -0.0000213500000000, -0.0002433600000000, 0.0009497500000000 ] - [ 0.0002340000000000, 0.0002818100000000, -0.0003630800000000 ] - [ 0.0007015000000000, -0.0008307400000000, 0.0017870900000000 ] - [ -0.0003144100000000, -0.0003938500000000, 0.0009968300000000 ] - [ -0.0006503000000000, -0.0000386500000000, -0.0039740400000000 ] - [ -0.0009692000000000, 0.0045625800000000, -0.0039567600000000 ] - [ 0.0002336300000000, -0.0006406600000000, -0.0001448100000000 ] - [ -0.0005867300000000, 0.0004692900000000, 0.0011418400000000 ] - [ 0.0001169900000000, 0.0010220900000000, -0.0003447900000000 ] - [ 0.0001034000000000, 0.0006720400000000, -0.0000584700000000 ] - [ 0.0055088600000000, 0.0056014800000000, 0.0072422500000000 ] - [ -0.0005966200000000, -0.0003203700000000, 0.0011332500000000 ] - [ -0.0001387800000000, -0.0003015000000000, 0.0008232000000000 ] - [ 0.0004023800000000, -0.0001791100000000, 0.0010881100000000 ]- atom: 69 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ 0.0034850900000000, -0.0036899500000000, 0.0000932500000000 ] - [ 0.0002073800000000, -0.0003633800000000, 0.0015103400000000 ] - [ -0.0021234800000000, -0.0026450800000000, 0.0024452300000000 ] - [ -0.0009561500000000, -0.0007093400000000, -0.0011036500000000 ] - [ -0.0005270100000000, 0.0046247700000000, -0.0072583700000000 ] - [ -0.0002027500000000, -0.0006329300000000, 0.0018269900000000 ] - [ -0.0003672000000000, -0.0002611600000000, 0.0015554800000000 ] - [ 0.0000895700000000, -0.0002155400000000, 0.0013180600000000 ] - [ -0.0003495800000000, 0.0011686700000000, -0.0006697100000000 ] - [ -0.0003621400000000, -0.0000100700000000, 0.0009444200000000 ] - [ -0.0009779700000000, 0.0006764100000000, -0.0019816400000000 ] - [ 0.0001390200000000, 0.0001127500000000, -0.0015687800000000 ] - [ 0.0003706900000000, 0.0008408400000000, 0.0010460500000000 ] - [ -0.0000402900000000, -0.0009581000000000, 0.0016464300000000 ] - [ -0.0003150100000000, 0.0000914300000000, -0.0006243200000000 ] - [ 0.0005184800000000, -0.0005360300000000, 0.0016478100000000 ] - [ 0.0002932200000000, -0.0027378300000000, -0.0059327900000000 ] - [ -0.0001287600000000, 0.0001422800000000, -0.0013012900000000 ] - [ 0.0003894200000000, -0.0002090700000000, 0.0011461000000000 ] - [ -0.0021267100000000, -0.0014399100000000, -0.0005850500000000 ] - [ 0.0003308200000000, -0.0007125400000000, -0.0023102000000000 ] - [ -0.0001526600000000, -0.0008120500000000, 0.0003926200000000 ] - [ 0.0035052500000000, 0.0025612600000000, -0.0003549400000000 ] - [ -0.0019234100000000, 0.0023124600000000, 0.0023114200000000 ] - [ -0.0022587000000000, 0.0020673600000000, -0.0009180700000000 ] - [ 0.0000270800000000, 0.0005132400000000, 0.0006632500000000 ] - [ -0.0000066900000000, -0.0000013500000000, 0.0014307700000000 ] - [ 0.0000283800000000, -0.0001818500000000, 0.0014810400000000 ] - [ 0.0000145700000000, 0.0003509500000000, 0.0008319000000000 ] - [ 0.0000716500000000, 0.0011203500000000, 0.0009231300000000 ] - [ -0.0004866900000000, 0.0000423300000000, 0.0013576500000000 ] - [ -0.0001199700000000, 0.0001916200000000, 0.0008367600000000 ] - [ 0.0006019900000000, -0.0003856200000000, 0.0017150100000000 ] - [ 0.0014301900000000, 0.0001241500000000, -0.0098794300000000 ] - [ -0.0006881500000000, -0.0000525800000000, -0.0031713500000000 ] - [ -0.0000354600000000, -0.0001358800000000, 0.0025767800000000 ] - [ -0.0008283600000000, 0.0014537200000000, 0.0013611000000000 ] - [ 0.0009002700000000, 0.0003802800000000, 0.0019892600000000 ] - [ 0.0043205200000000, 0.0000024300000000, 0.0043511200000000 ] - [ 0.0000375700000000, -0.0005265700000000, 0.0014517500000000 ] - [ -0.0011971400000000, -0.0029934500000000, 0.0060377200000000 ] - [ -0.0002789400000000, 0.0007759500000000, 0.0028092600000000 ] - [ -0.0014588000000000, -0.0008005600000000, -0.0008402300000000 ] - [ -0.0011148400000000, -0.0002655300000000, 0.0017196400000000 ] - [ -0.0453643700000000, -0.0037186500000000, -0.1168157200000000 ] - [ -0.0087128100000000, -0.0009551300000000, -0.0123980700000000 ] - [ 0.0010602600000000, 0.0002213700000000, 0.0005378600000000 ] - [ 0.0000377500000000, 0.0002412100000000, 0.0015771500000000 ] - [ -0.0004020300000000, -0.0008741300000000, 0.0012818900000000 ] - [ 0.0024878300000000, 0.0076500200000000, 0.0046966000000000 ] - [ 0.0000540300000000, 0.0001122000000000, -0.0007103800000000 ] - [ 0.0015467800000000, 0.0001056100000000, -0.0014317200000000 ] - [ -0.0007395800000000, -0.0000238300000000, -0.0018349800000000 ] - [ 0.0002957700000000, -0.0000009300000000, -0.0008782000000000 ] - [ -0.0000727200000000, 0.0006931300000000, 0.0012106100000000 ] - [ -0.0079404300000000, 0.0004533400000000, -0.0147955500000000 ] - [ -0.0009601800000000, -0.0005496200000000, -0.0006392600000000 ] - [ 0.0007462700000000, 0.0003582300000000, -0.0011465000000000 ] - [ 0.0008105100000000, 0.0002573100000000, -0.0017103800000000 ] - [ 0.0008255400000000, -0.0001975900000000, 0.0023001700000000 ] - [ 0.0146373900000000, -0.0005511700000000, -0.0073443600000000 ] - [ -0.0000988100000000, -0.0005747500000000, -0.0002710300000000 ] - [ 0.0036115500000000, -0.0016539000000000, -0.0062123700000000 ] - [ 0.0002559000000000, -0.0001122600000000, -0.0009337700000000 ] - [ 0.0000506300000000, 0.0002945500000000, -0.0008997700000000 ] - [ 0.0004568900000000, -0.0001218400000000, 0.0012699300000000 ] - [ 0.0002139600000000, 0.0004195500000000, -0.0008852200000000 ] - [ -0.0001161900000000, -0.0006210000000000, -0.0007389800000000 ] - [ 0.0535943900000000, 0.0021409900000000, 0.1579932300000000 ] - [ 0.0011351100000000, 0.0002996800000000, 0.0016106400000000 ] - [ 0.0006773200000000, 0.0002670400000000, 0.0013997600000000 ] - [ 0.0005041500000000, 0.0000343600000000, -0.0000728300000000 ] - [ -0.0012931600000000, 0.0002358000000000, 0.0024415800000000 ] - [ 0.0008584600000000, 0.0002479500000000, 0.0011350200000000 ] - [ -0.0003753700000000, 0.0004404800000000, -0.0008256700000000 ] - [ 0.0007846400000000, -0.0010920800000000, 0.0000194100000000 ] - [ -0.0010285700000000, -0.0012205500000000, -0.0024024600000000 ] - [ 0.0004506400000000, 0.0002520600000000, -0.0004521900000000 ] - [ 0.0000380200000000, -0.0000438400000000, -0.0006787900000000 ] - [ -0.0001784400000000, -0.0012942400000000, 0.0049812700000000 ] - [ -0.0029554300000000, -0.0003126800000000, 0.0081197600000000 ] - [ -0.0005031400000000, -0.0000741500000000, -0.0025307300000000 ] - [ 0.0000107900000000, -0.0002387800000000, -0.0008248400000000 ] - [ -0.0009939700000000, 0.0000685100000000, -0.0011930000000000 ] - [ 0.0009184600000000, 0.0020665400000000, -0.0012674100000000 ] - [ 0.0009050200000000, 0.0005426400000000, 0.0003575900000000 ] - [ -0.0000615800000000, -0.0003541400000000, -0.0002973300000000 ] - [ 0.0002485000000000, -0.0006742900000000, -0.0011007000000000 ] - [ -0.0002382900000000, -0.0003003300000000, -0.0011354000000000 ] - [ -0.0001168100000000, -0.0004709100000000, -0.0011085900000000 ] - [ -0.0002836100000000, 0.0006493400000000, 0.0011613000000000 ] - [ -0.0000710700000000, -0.0005842400000000, -0.0007949900000000 ] - [ 0.0005481600000000, -0.0002565300000000, 0.0000100500000000 ] - [ 0.0005813700000000, 0.0001424000000000, 0.0013113700000000 ] - [ 0.0005710800000000, 0.0002104200000000, -0.0012741100000000 ] - [ -0.0005513700000000, -0.0001742700000000, -0.0017010100000000 ] - [ 0.0007614300000000, 0.0013333800000000, -0.0013084200000000 ] - [ 0.0003287900000000, 0.0005525700000000, -0.0011252100000000 ] - [ -0.0000753800000000, 0.0000037200000000, -0.0003286000000000 ] - [ -0.0019820700000000, 0.0000127100000000, 0.0001875100000000 ] - [ -0.0001040400000000, 0.0001986300000000, -0.0004834300000000 ] - [ 0.0005014000000000, -0.0016341000000000, -0.0021647800000000 ] - [ -0.0000236400000000, -0.0003931700000000, -0.0001925500000000 ] - [ -0.0000430600000000, 0.0002214600000000, -0.0015940900000000 ] - [ 0.0004675500000000, 0.0026234300000000, 0.0053621300000000 ] - [ -0.0072789600000000, 0.0066828400000000, -0.0089680800000000 ] - [ -0.0001105400000000, -0.0002524300000000, -0.0012272000000000 ] - [ -0.0000815100000000, 0.0001326200000000, 0.0012564800000000 ] - [ -0.0007550900000000, 0.0014030000000000, -0.0020032800000000 ] - [ -0.0001605400000000, 0.0002378700000000, -0.0008068700000000 ] - [ 0.0010985400000000, -0.0003470800000000, 0.0050653100000000 ] - [ 0.0011768500000000, -0.0051192300000000, 0.0038216400000000 ] - [ -0.0006124600000000, -0.0006675700000000, -0.0007746700000000 ] - [ -0.0004125800000000, 0.0001617600000000, -0.0011664000000000 ] - [ 0.0003910800000000, 0.0007175500000000, -0.0005762800000000 ] - [ -0.0004799000000000, 0.0006356900000000, -0.0008695100000000 ] - [ -0.0068420300000000, -0.0056524000000000, -0.0068467900000000 ] - [ -0.0006034000000000, 0.0002196800000000, -0.0005466400000000 ] - [ 0.0006479200000000, -0.0002551000000000, -0.0006727700000000 ] - [ 0.0005981000000000, -0.0004515700000000, -0.0010669100000000 ]- atom: 75 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ 0.0053627100000000, 0.0016291000000000, 0.0009855500000000 ] - [ -0.0009343300000000, 0.0038408400000000, -0.0050688300000000 ] - [ -0.0016944000000000, -0.0016495800000000, -0.0038116000000000 ] - [ -0.0061332600000000, -0.0004067300000000, 0.0031936300000000 ] - [ 0.0001280800000000, 0.0004587600000000, 0.0005481000000000 ] - [ -0.0007234900000000, 0.0008931700000000, 0.0049708200000000 ] - [ -0.0035459500000000, -0.0001023700000000, -0.0005499300000000 ] - [ -0.0009481800000000, -0.0048692900000000, -0.0052706800000000 ] - [ -0.0001619600000000, 0.0007889800000000, 0.0005471700000000 ] - [ 0.0000220500000000, -0.0001289900000000, 0.0001298300000000 ] - [ -0.0000573400000000, 0.0004714000000000, 0.0011825000000000 ] - [ 0.0000973900000000, 0.0002837200000000, 0.0009131900000000 ] - [ -0.0004980100000000, 0.0003313600000000, 0.0002960100000000 ] - [ 0.0399644800000000, -0.0307909300000000, -0.0128701300000000 ] - [ -0.0039440600000000, -0.0018561100000000, 0.0008053700000000 ] - [ 0.0041148100000000, 0.0003852600000000, 0.0007451800000000 ] - [ 0.0000734600000000, 0.0001393800000000, 0.0003282100000000 ] - [ -0.0002991500000000, 0.0003388100000000, 0.0006836500000000 ] - [ -0.0004986800000000, 0.0002561700000000, 0.0004797600000000 ] - [ 0.0003254700000000, 0.0001372100000000, 0.0007597500000000 ] - [ -0.0004205400000000, -0.0004115600000000, -0.0009617400000000 ] - [ -0.0021043000000000, -0.0006867400000000, -0.0008666600000000 ] - [ 0.0036076600000000, -0.0018336800000000, 0.0012183600000000 ] - [ -0.0013537800000000, 0.0010881600000000, -0.0030466000000000 ] - [ 0.0000049000000000, 0.0002023700000000, 0.0009001900000000 ] - [ 0.0006484000000000, 0.0005604700000000, -0.0001713800000000 ] - [ -0.0043931500000000, -0.0025935200000000, -0.0010727400000000 ] - [ 0.0072798600000000, -0.0035745300000000, 0.0032585200000000 ] - [ 0.0003726900000000, 0.0004765900000000, -0.0000314400000000 ] - [ 0.0003020200000000, 0.0003978800000000, 0.0002825300000000 ] - [ -0.0001632900000000, 0.0003724900000000, 0.0004810600000000 ] - [ 0.0002171700000000, 0.0008180000000000, 0.0003534700000000 ] - [ 0.0020043800000000, 0.0007826700000000, -0.0000444900000000 ] - [ -0.0003963700000000, 0.0003254100000000, 0.0001473300000000 ] - [ -0.0008727800000000, 0.0010588900000000, 0.0024687900000000 ] - [ 0.0004551200000000, -0.0001390400000000, 0.0027132600000000 ] - [ -0.0007428400000000, 0.0018534500000000, -0.0002779100000000 ] - [ -0.0020583400000000, 0.0004851300000000, -0.0010640700000000 ] - [ -0.0005696500000000, 0.0004160200000000, 0.0004217200000000 ] - [ 0.1806443800000000, 0.0273957300000000, -0.0583623600000000 ] - [ 0.0009894400000000, -0.0008993400000000, 0.0014626200000000 ] - [ -0.0140919000000000, 0.0018119300000000, 0.0039400700000000 ] - [ -0.0009443900000000, -0.0009433200000000, -0.0001323100000000 ] - [ -0.0017137300000000, -0.0005637600000000, -0.0003236100000000 ] - [ 0.0026121300000000, 0.0000174600000000, -0.0009408400000000 ] - [ -0.0016555700000000, -0.0003454900000000, -0.0006309100000000 ] - [ 0.0002950500000000, 0.0003993500000000, 0.0010280600000000 ] - [ 0.0023901200000000, 0.0005652700000000, -0.0009318100000000 ] - [ 0.0000733100000000, 0.0007156800000000, -0.0015250700000000 ] - [ 0.0003729800000000, -0.0002053900000000, -0.0004534100000000 ] - [ -0.0001150000000000, 0.0000218500000000, 0.0004113500000000 ] - [ 0.0000631800000000, -0.0002316000000000, -0.0003108600000000 ] - [ -0.0000674300000000, 0.0004090800000000, -0.0019688300000000 ] - [ -0.0000915000000000, 0.0001999400000000, -0.0004249400000000 ] - [ 0.0003727300000000, -0.0025076600000000, -0.0027333000000000 ] - [ 0.0001208000000000, 0.0006606800000000, 0.0000957100000000 ] - [ 0.0128040300000000, -0.0060398500000000, -0.0144161400000000 ] - [ 0.0018475400000000, 0.0000547900000000, -0.0000962900000000 ] - [ 0.0137553700000000, 0.0001998400000000, 0.0021895300000000 ] - [ 0.0005838000000000, -0.0000448300000000, -0.0007976000000000 ] - [ 0.0010517500000000, -0.0000263100000000, 0.0015046400000000 ] - [ 0.0039472900000000, -0.0016930200000000, 0.0010260300000000 ] - [ -0.0004374000000000, 0.0001822000000000, -0.0004981800000000 ] - [ 0.0009437700000000, 0.0006019300000000, 0.0002615200000000 ] - [ 0.0020129800000000, 0.0000991100000000, -0.0013435500000000 ] - [ 0.0003868500000000, -0.0001804200000000, 0.0004644600000000 ] - [ -0.0001857500000000, 0.0002427000000000, -0.0001920500000000 ] - [ 0.0234805300000000, 0.0032271200000000, 0.0085447100000000 ] - [ -0.0004095200000000, 0.0001210000000000, -0.0004625500000000 ] - [ -0.0009727300000000, -0.0002411300000000, -0.0019430900000000 ] - [ 0.0015238900000000, 0.0003779200000000, -0.0005918500000000 ] - [ 0.0003429100000000, -0.0001160100000000, -0.0001440200000000 ] - [ 0.0002053200000000, 0.0002349000000000, 0.0000755500000000 ] - [ -0.0000167000000000, 0.0003325500000000, -0.0006144500000000 ] - [ -0.2907542100000000, 0.0030550900000000, 0.0898315500000000 ] - [ 0.0017089900000000, -0.0004327600000000, 0.0003449800000000 ] - [ 0.0000028400000000, 0.0000618500000000, -0.0008039000000000 ] - [ 0.0010620100000000, 0.0009665900000000, 0.0003432700000000 ] - [ -0.0018098700000000, 0.0001026000000000, 0.0011116400000000 ] - [ 0.0006569500000000, 0.0003154400000000, -0.0001264100000000 ] - [ -0.0013747200000000, -0.0002254700000000, -0.0004459300000000 ] - [ -0.0005909200000000, -0.0002029400000000, -0.0012911700000000 ] - [ 0.0145789100000000, 0.0059500500000000, -0.0119243300000000 ] - [ 0.0026891600000000, 0.0083135100000000, -0.0066691000000000 ] - [ -0.0003376800000000, 0.0008045200000000, 0.0001557900000000 ] - [ 0.0021453600000000, -0.0003249200000000, 0.0004977800000000 ] - [ 0.0003161100000000, -0.0002361700000000, -0.0003707600000000 ] - [ -0.0022450400000000, -0.0003826900000000, 0.0006306300000000 ] - [ -0.0002736000000000, 0.0000273200000000, -0.0008584500000000 ] - [ 0.0051248200000000, 0.0009237500000000, 0.0000959800000000 ] - [ 0.0001207200000000, 0.0001924900000000, -0.0002198100000000 ] - [ 0.0005195500000000, -0.0003012200000000, 0.0001586100000000 ] - [ -0.0000900400000000, -0.0002660300000000, -0.0005289300000000 ] - [ 0.0000029100000000, 0.0001867900000000, -0.0002477700000000 ] - [ 0.0015452300000000, 0.0000072600000000, 0.0002590800000000 ] - [ 0.0012650200000000, -0.0003664100000000, 0.0021925100000000 ] - [ 0.0008581800000000, 0.0006070600000000, 0.0018469900000000 ] - [ 0.0002942000000000, 0.0002563500000000, -0.0010038200000000 ] - [ -0.0008896700000000, 0.0017234600000000, 0.0008619500000000 ] - [ 0.0000303800000000, -0.0003430500000000, -0.0002573200000000 ] - [ 0.0006194300000000, 0.0002150800000000, 0.0004886600000000 ] - [ 0.0012827600000000, -0.0057842400000000, 0.0013054200000000 ] - [ -0.0000102700000000, -0.0048173900000000, 0.0016646400000000 ] - [ 0.0054592500000000, 0.0000935700000000, 0.0003751900000000 ] - [ 0.0001733800000000, 0.0001393600000000, 0.0000260600000000 ] - [ -0.0015031500000000, 0.0003532000000000, 0.0014100300000000 ] - [ 0.0045323000000000, -0.0045980600000000, -0.0032505300000000 ] - [ 0.0001025300000000, 0.0003051600000000, 0.0001728900000000 ] - [ 0.0000945400000000, 0.0004564600000000, -0.0005669800000000 ] - [ -0.0017373400000000, -0.0001530000000000, 0.0010912000000000 ] - [ -0.0005684900000000, -0.0002126400000000, 0.0004539400000000 ] - [ -0.0001014800000000, -0.0001003200000000, -0.0002280000000000 ] - [ -0.0019446900000000, -0.0008000300000000, 0.0000140600000000 ] - [ -0.0019949900000000, 0.0001356800000000, -0.0008147100000000 ] - [ 0.0002449900000000, 0.0009053900000000, -0.0007699400000000 ] - [ -0.0001773000000000, 0.0006456900000000, -0.0008896100000000 ] - [ -0.0018585900000000, -0.0001298400000000, 0.0011524700000000 ] - [ -0.0000208200000000, -0.0000324800000000, 0.0003512000000000 ] - [ 0.0003762100000000, -0.0002511600000000, 0.0002389200000000 ] - [ -0.0001092000000000, -0.0003644000000000, -0.0006799100000000 ]- atom: 75 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ -0.0055572200000000, -0.0021446000000000, -0.0010455200000000 ] - [ 0.0011283900000000, -0.0046111700000000, 0.0056106400000000 ] - [ 0.0022310300000000, 0.0006867200000000, 0.0032268900000000 ] - [ 0.0054594000000000, -0.0004339600000000, -0.0038148300000000 ] - [ 0.0000991300000000, 0.0002536000000000, -0.0000509400000000 ] - [ 0.0004455000000000, -0.0020902600000000, -0.0039925000000000 ] - [ 0.0030367900000000, -0.0008595500000000, 0.0011364700000000 ] - [ 0.0010911500000000, 0.0044308000000000, 0.0054135200000000 ] - [ -0.0000595700000000, 0.0008493100000000, -0.0003942200000000 ] - [ -0.0001676000000000, -0.0001694100000000, -0.0004498200000000 ] - [ -0.0002339600000000, 0.0007194800000000, -0.0001881200000000 ] - [ 0.0006303300000000, 0.0005591100000000, -0.0003273100000000 ] - [ 0.0002822000000000, 0.0003804700000000, -0.0007879900000000 ] - [ -0.0376345800000000, 0.0272465300000000, 0.0121361700000000 ] - [ 0.0042120100000000, 0.0012417900000000, -0.0014422300000000 ] - [ -0.0034077400000000, -0.0012430900000000, -0.0001568400000000 ] - [ 0.0000741900000000, 0.0003602400000000, -0.0002678400000000 ] - [ 0.0000633400000000, 0.0002942800000000, -0.0000569200000000 ] - [ 0.0003475600000000, 0.0002438000000000, -0.0005659400000000 ] - [ -0.0001893300000000, -0.0004413900000000, -0.0004581200000000 ] - [ 0.0007164100000000, -0.0007808000000000, -0.0000393600000000 ] - [ 0.0023364900000000, -0.0009588400000000, 0.0007160000000000 ] - [ -0.0038693500000000, 0.0011392400000000, -0.0017323200000000 ] - [ 0.0012264500000000, -0.0007800400000000, 0.0027512700000000 ] - [ -0.0005387000000000, 0.0007575800000000, -0.0003200400000000 ] - [ -0.0003606800000000, 0.0006316600000000, -0.0008371500000000 ] - [ 0.0045701700000000, 0.0029085400000000, 0.0013968200000000 ] - [ -0.0075017600000000, 0.0029217000000000, -0.0026143200000000 ] - [ 0.0001603300000000, 0.0004777100000000, -0.0005549800000000 ] - [ -0.0000644100000000, 0.0002349700000000, -0.0009208200000000 ] - [ -0.0005622500000000, 0.0004702100000000, -0.0010842900000000 ] - [ 0.0000045300000000, 0.0008227900000000, -0.0005195400000000 ] - [ -0.0011860000000000, -0.0015533800000000, 0.0007331900000000 ] - [ -0.0015372400000000, 0.0003230900000000, -0.0003066200000000 ] - [ 0.0006857400000000, -0.0007496200000000, -0.0014814100000000 ] - [ -0.0006394200000000, -0.0001779600000000, -0.0017300200000000 ] - [ -0.0008882300000000, -0.0000118600000000, -0.0013355700000000 ] - [ 0.0040077800000000, 0.0001624100000000, 0.0012305300000000 ] - [ -0.0002548400000000, 0.0003894000000000, -0.0010738100000000 ] - [ -0.1916929600000000, -0.0307657200000000, 0.0624931500000000 ] - [ 0.0006547900000000, -0.0009633400000000, 0.0001653800000000 ] - [ 0.0158358700000000, 0.0000532400000000, -0.0022933600000000 ] - [ -0.0007000800000000, -0.0009192200000000, -0.0015124200000000 ] - [ -0.0002198200000000, -0.0000821900000000, 0.0001706500000000 ] - [ -0.0006925200000000, -0.0006659600000000, 0.0010986900000000 ] - [ 0.0018525200000000, 0.0000313500000000, -0.0003746800000000 ] - [ 0.0005317300000000, 0.0004065200000000, -0.0003938900000000 ] - [ -0.0022136400000000, -0.0002854800000000, -0.0000993900000000 ] - [ -0.0006116000000000, -0.0011942200000000, 0.0015350600000000 ] - [ 0.0008318200000000, 0.0001048600000000, -0.0001305000000000 ] - [ 0.0008471300000000, 0.0001525800000000, 0.0006938300000000 ] - [ 0.0001354300000000, -0.0002743000000000, 0.0003334700000000 ] - [ -0.0006576500000000, -0.0005781500000000, 0.0008836200000000 ] - [ 0.0002549700000000, 0.0002630800000000, 0.0001743200000000 ] - [ 0.0001036500000000, 0.0023655200000000, 0.0025623600000000 ] - [ 0.0002567200000000, 0.0006453000000000, 0.0008235400000000 ] - [ -0.0131172300000000, 0.0056720600000000, 0.0145874100000000 ] - [ -0.0006427200000000, 0.0000515800000000, -0.0004947200000000 ] - [ -0.0134734600000000, 0.0002966700000000, -0.0021315500000000 ] - [ -0.0015869200000000, -0.0005845800000000, 0.0007839200000000 ] - [ -0.0003310300000000, -0.0001428300000000, -0.0004094800000000 ] - [ -0.0044835300000000, -0.0000234800000000, -0.0001194300000000 ] - [ -0.0002577400000000, -0.0001264600000000, 0.0001474400000000 ] - [ -0.0007462200000000, -0.0000785500000000, -0.0003964400000000 ] - [ -0.0025407400000000, 0.0004550700000000, 0.0011985500000000 ] - [ 0.0004273900000000, -0.0001868900000000, 0.0012814700000000 ] - [ 0.0003211100000000, 0.0002541300000000, 0.0004749700000000 ] - [ -0.0238009300000000, -0.0046775800000000, -0.0079364900000000 ] - [ -0.0000329100000000, 0.0002610200000000, -0.0006028700000000 ] - [ 0.0002553200000000, 0.0004129400000000, 0.0008614500000000 ] - [ -0.0005359500000000, 0.0002493100000000, 0.0006204600000000 ] - [ 0.0003540600000000, 0.0001760400000000, 0.0005034700000000 ] - [ 0.0003047500000000, 0.0003198300000000, 0.0000754200000000 ] - [ -0.0001171800000000, 0.0001620400000000, 0.0003419900000000 ] - [ 0.2986539400000000, 0.0021371000000000, -0.0938641300000000 ] - [ -0.0015527800000000, -0.0000321300000000, -0.0006042400000000 ] - [ -0.0001576200000000, 0.0003515700000000, -0.0000933000000000 ] - [ -0.0006051100000000, -0.0003796600000000, -0.0004758100000000 ] - [ 0.0018870000000000, -0.0006893300000000, -0.0009038000000000 ] - [ -0.0001252900000000, 0.0001562100000000, 0.0001332200000000 ] - [ 0.0008709800000000, -0.0003301800000000, 0.0003017900000000 ] - [ -0.0002196800000000, -0.0001651200000000, -0.0004416500000000 ] - [ -0.0146585200000000, -0.0063516300000000, 0.0120449300000000 ] - [ -0.0029386600000000, -0.0089579500000000, 0.0059376100000000 ] - [ -0.0001725800000000, 0.0009339900000000, 0.0007649800000000 ] - [ -0.0020235400000000, -0.0001658500000000, -0.0002201200000000 ] - [ 0.0001352200000000, -0.0003645000000000, 0.0002581400000000 ] - [ 0.0028195200000000, -0.0000764300000000, -0.0005683200000000 ] - [ -0.0002618500000000, 0.0004489100000000, 0.0008628300000000 ] - [ -0.0058651600000000, -0.0010051100000000, -0.0004699900000000 ] - [ -0.0000641400000000, 0.0003875000000000, 0.0004424700000000 ] - [ -0.0007189800000000, -0.0002280000000000, -0.0000312000000000 ] - [ -0.0001063700000000, -0.0002390900000000, 0.0005173500000000 ] - [ -0.0001668100000000, 0.0002764500000000, 0.0005075300000000 ] - [ -0.0017544300000000, 0.0005034900000000, -0.0002831800000000 ] - [ -0.0017193800000000, -0.0000123400000000, -0.0032958700000000 ] - [ -0.0001671000000000, -0.0006518200000000, -0.0014999800000000 ] - [ 0.0001782500000000, -0.0000966900000000, 0.0008141600000000 ] - [ 0.0016975100000000, -0.0013712600000000, 0.0008703500000000 ] - [ -0.0004867900000000, -0.0002557000000000, 0.0003774000000000 ] - [ -0.0001742900000000, 0.0001664600000000, 0.0005825300000000 ] - [ -0.0007768200000000, 0.0040606000000000, -0.0022365300000000 ] - [ 0.0002269600000000, 0.0044002600000000, -0.0007947200000000 ] - [ -0.0062939500000000, 0.0002657800000000, -0.0021065300000000 ] - [ -0.0006530700000000, 0.0000229700000000, 0.0001735800000000 ] - [ 0.0013127400000000, 0.0001742000000000, -0.0012840000000000 ] - [ -0.0046528600000000, 0.0041027300000000, 0.0029874800000000 ] - [ 0.0000512700000000, 0.0001063600000000, 0.0007314200000000 ] - [ -0.0001550700000000, 0.0001210200000000, 0.0003537400000000 ] - [ 0.0012771400000000, 0.0000014400000000, -0.0008963900000000 ] - [ 0.0010179500000000, -0.0001683900000000, 0.0006153800000000 ] - [ 0.0002999100000000, -0.0004309600000000, 0.0001018600000000 ] - [ 0.0015783600000000, -0.0005106400000000, -0.0009460400000000 ] - [ 0.0010022200000000, 0.0004952900000000, 0.0008024100000000 ] - [ 0.0002670000000000, 0.0008309700000000, -0.0001423900000000 ] - [ -0.0001997600000000, 0.0006599100000000, -0.0000221500000000 ] - [ 0.0006639200000000, 0.0002313600000000, -0.0005703700000000 ] - [ -0.0011842000000000, -0.0000684000000000, 0.0002329400000000 ] - [ 0.0001391000000000, -0.0003044700000000, -0.0000896200000000 ] - [ 0.0011072900000000, -0.0002625900000000, 0.0007087500000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003987900000000, -0.0020669800000000, -0.0027616600000000 ] - [ 0.0021305900000000, 0.0017623800000000, 0.0003493000000000 ] - [ -0.0004610700000000, 0.0002940300000000, -0.0005689100000000 ] - [ 0.0017444500000000, 0.0001449800000000, -0.0014419400000000 ] - [ 0.0001497800000000, 0.0003468700000000, 0.0004617800000000 ] - [ -0.0000048500000000, 0.0017297300000000, 0.0006926400000000 ] - [ 0.0005448800000000, -0.0014466800000000, 0.0002316600000000 ] - [ -0.0005433100000000, -0.0007269800000000, -0.0009845300000000 ] - [ -0.0000951600000000, 0.0008290300000000, 0.0002566500000000 ] - [ 0.0000042100000000, -0.0002439600000000, 0.0001184600000000 ] - [ -0.0002623100000000, 0.0007030400000000, 0.0006527000000000 ] - [ 0.0003640200000000, 0.0003860700000000, 0.0004880100000000 ] - [ -0.0001007600000000, 0.0003243100000000, -0.0000637100000000 ] - [ -0.0250736100000000, 0.0209548600000000, 0.0044614500000000 ] - [ -0.0038120000000000, -0.0021368500000000, 0.0003763600000000 ] - [ 0.0002122300000000, -0.0025536900000000, -0.0004282900000000 ] - [ 0.0000898200000000, 0.0002774400000000, 0.0002081500000000 ] - [ -0.0001382900000000, 0.0003056100000000, 0.0004718000000000 ] - [ -0.0000344100000000, 0.0002714400000000, 0.0000860100000000 ] - [ 0.0000852300000000, -0.0001140700000000, 0.0003823300000000 ] - [ 0.0000203200000000, -0.0009058600000000, -0.0005098900000000 ] - [ 0.0001636400000000, -0.0010679800000000, -0.0002154600000000 ] - [ 0.0016740200000000, -0.0037111600000000, 0.0023112800000000 ] - [ 0.0007437000000000, 0.0002424900000000, 0.0005060200000000 ] - [ -0.0002432500000000, 0.0003953800000000, 0.0004637800000000 ] - [ 0.0001107700000000, 0.0004682000000000, -0.0003303000000000 ] - [ -0.0009822200000000, -0.0010474700000000, -0.0004360300000000 ] - [ -0.0009226400000000, 0.0121464300000000, -0.0063058300000000 ] - [ 0.0003289200000000, 0.0006255400000000, -0.0000853600000000 ] - [ 0.0000718500000000, 0.0003181800000000, -0.0001433500000000 ] - [ -0.0004279600000000, 0.0005187100000000, -0.0001164700000000 ] - [ 0.0001090800000000, 0.0008034700000000, 0.0001017500000000 ] - [ 0.0003607900000000, -0.0097507800000000, -0.0037848700000000 ] - [ -0.0009341700000000, 0.0001509000000000, 0.0001171300000000 ] - [ 0.0000915400000000, -0.0020859100000000, 0.0010381500000000 ] - [ -0.0003881600000000, -0.0006180800000000, 0.0005899700000000 ] - [ -0.0027620500000000, -0.0051469300000000, -0.0035547400000000 ] - [ 0.0007239600000000, 0.0004374500000000, 0.0000381500000000 ] - [ -0.0004322100000000, 0.0004185200000000, -0.0000493000000000 ] - [ 0.0262782300000000, 0.0406438600000000, -0.0144785000000000 ] - [ 0.0007793500000000, -0.0009138000000000, 0.0011280400000000 ] - [ 0.0004162500000000, 0.0015930800000000, -0.0002566600000000 ] - [ -0.0008311000000000, -0.0009538200000000, -0.0005420000000000 ] - [ -0.0006506200000000, -0.0010165100000000, 0.0000606200000000 ] - [ 0.0011041600000000, 0.0015482300000000, 0.0006820800000000 ] - [ 0.0002513800000000, -0.0000923200000000, -0.0002085400000000 ] - [ 0.0003771200000000, 0.0003969900000000, 0.0005793000000000 ] - [ -0.0000670600000000, 0.0035277500000000, 0.0002303100000000 ] - [ -0.0001130300000000, 0.0018112600000000, -0.0019804400000000 ] - [ 0.0006036000000000, -0.0000244500000000, -0.0004228200000000 ] - [ 0.0000705300000000, -0.0004644200000000, -0.0000579900000000 ] - [ 0.0001198200000000, -0.0002375300000000, -0.0002205000000000 ] - [ -0.0002696900000000, 0.0006797800000000, -0.0004758900000000 ] - [ 0.0001075900000000, 0.0002654900000000, -0.0002880400000000 ] - [ 0.0001351400000000, 0.0015061000000000, 0.0009555100000000 ] - [ 0.0001524800000000, 0.0006583600000000, 0.0002867900000000 ] - [ -0.0112708300000000, -0.0031433700000000, 0.0081099500000000 ] - [ 0.0002448000000000, 0.0003063400000000, -0.0005370800000000 ] - [ -0.0013640400000000, -0.0005907300000000, 0.0004693800000000 ] - [ -0.0006499700000000, -0.0005120600000000, -0.0000058000000000 ] - [ 0.0002553100000000, -0.0003054300000000, 0.0003240100000000 ] - [ 0.0003129100000000, -0.0018338500000000, 0.0012072000000000 ] - [ -0.0003395400000000, 0.0000925500000000, -0.0003358900000000 ] - [ -0.0000662200000000, 0.0006389600000000, 0.0001921300000000 ] - [ 0.0000616700000000, 0.0000513200000000, -0.0003896800000000 ] - [ 0.0003683600000000, -0.0001746000000000, 0.0007142000000000 ] - [ 0.0000956300000000, 0.0002116400000000, 0.0000184600000000 ] - [ 0.0035247300000000, -0.0065999500000000, 0.0019556400000000 ] - [ -0.0003130000000000, -0.0000797200000000, -0.0007367800000000 ] - [ -0.0005136800000000, 0.0005726800000000, -0.0008488000000000 ] - [ 0.0006413800000000, 0.0007487900000000, -0.0002436500000000 ] - [ 0.0003405300000000, -0.0000291500000000, 0.0000407300000000 ] - [ 0.0002768000000000, 0.0003490400000000, 0.0000149700000000 ] - [ -0.0000534900000000, 0.0002621900000000, -0.0002527600000000 ] - [ -0.0004685800000000, -0.0816340100000000, 0.0241574400000000 ] - [ -0.0002026900000000, 0.0001347800000000, -0.0000837400000000 ] - [ -0.0000753100000000, 0.0001609200000000, -0.0005674800000000 ] - [ -0.0004557000000000, 0.0028742500000000, 0.0017484300000000 ] - [ 0.0007975000000000, 0.0030308600000000, 0.0004677300000000 ] - [ 0.0002217300000000, 0.0002512900000000, -0.0001192400000000 ] - [ -0.0001794700000000, -0.0007445600000000, -0.0003403200000000 ] - [ -0.0004288700000000, -0.0001920800000000, -0.0010399900000000 ] - [ 0.0070146600000000, -0.0021931600000000, -0.0037727700000000 ] - [ 0.0134594600000000, 0.0060431700000000, -0.0090499200000000 ] - [ -0.0002609300000000, 0.0008341200000000, 0.0003215100000000 ] - [ -0.0000394200000000, -0.0002719800000000, 0.0002219900000000 ] - [ 0.0002887500000000, -0.0002776200000000, -0.0001739800000000 ] - [ -0.0010049400000000, -0.0018917000000000, -0.0035579100000000 ] - [ -0.0002123300000000, 0.0003058200000000, -0.0000868600000000 ] - [ -0.0004493100000000, -0.0000276300000000, 0.0000996500000000 ] - [ 0.0000558700000000, 0.0002420500000000, -0.0000280500000000 ] - [ -0.0000609900000000, -0.0003567100000000, 0.0000205100000000 ] - [ -0.0000821400000000, -0.0002681700000000, -0.0001959700000000 ] - [ -0.0000621500000000, 0.0002255500000000, -0.0000153000000000 ] - [ 0.0001917100000000, 0.0011842800000000, 0.0003993400000000 ] - [ -0.0002114100000000, -0.0003584300000000, -0.0001695100000000 ] - [ 0.0018396900000000, 0.0027929300000000, 0.0008887400000000 ] - [ 0.0003043200000000, 0.0002088800000000, -0.0000464700000000 ] - [ 0.0017390200000000, 0.0038594700000000, 0.0010031800000000 ] - [ -0.0001810500000000, -0.0003224800000000, -0.0000513600000000 ] - [ 0.0001377500000000, 0.0002833300000000, 0.0004341200000000 ] - [ -0.0015870200000000, 0.0052809700000000, -0.0006983900000000 ] - [ -0.0078879000000000, 0.0096307500000000, 0.0005894400000000 ] - [ 0.0000535400000000, -0.0017271200000000, -0.0009168800000000 ] - [ -0.0002410800000000, 0.0000322800000000, 0.0000001600000000 ] - [ 0.0001828600000000, -0.0005369000000000, 0.0007693100000000 ] - [ -0.0028431700000000, 0.0008784900000000, 0.0026730200000000 ] - [ 0.0000816800000000, 0.0002540500000000, 0.0003387300000000 ] - [ -0.0000058500000000, 0.0003131400000000, -0.0002369600000000 ] - [ -0.0001091800000000, -0.0007903900000000, 0.0008795400000000 ] - [ 0.0001679200000000, 0.0001856700000000, 0.0005678100000000 ] - [ 0.0000869000000000, -0.0001922000000000, -0.0001424900000000 ] - [ -0.0000984500000000, 0.0018456800000000, 0.0006577300000000 ] - [ -0.0002233600000000, -0.0002882200000000, -0.0002702000000000 ] - [ 0.0002374700000000, 0.0008995500000000, -0.0005869200000000 ] - [ -0.0002166000000000, 0.0006590500000000, -0.0005996500000000 ] - [ -0.0011394600000000, -0.0004813000000000, -0.0008461200000000 ] - [ -0.0005958900000000, -0.0000230200000000, 0.0002231000000000 ] - [ 0.0001264200000000, -0.0000117500000000, -0.0000778000000000 ] - [ 0.0006139300000000, 0.0000537600000000, -0.0000976000000000 ]- atom: 75 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002741800000000, 0.0015820600000000, 0.0026826700000000 ] - [ -0.0019088800000000, -0.0024466000000000, 0.0001295500000000 ] - [ 0.0009870100000000, -0.0012459500000000, -0.0000217000000000 ] - [ -0.0024897600000000, -0.0009892600000000, 0.0008673000000000 ] - [ 0.0000747400000000, 0.0003656300000000, 0.0000397100000000 ] - [ -0.0002876700000000, -0.0029254200000000, 0.0003083200000000 ] - [ -0.0010850700000000, 0.0004821900000000, 0.0003461900000000 ] - [ 0.0007073500000000, 0.0002014800000000, 0.0010525200000000 ] - [ -0.0001258300000000, 0.0008089900000000, -0.0000970500000000 ] - [ -0.0001473500000000, -0.0000576500000000, -0.0004309000000000 ] - [ -0.0000271900000000, 0.0004866300000000, 0.0003510100000000 ] - [ 0.0003614700000000, 0.0004569000000000, 0.0001060000000000 ] - [ -0.0001173700000000, 0.0003888500000000, -0.0004224500000000 ] - [ 0.0257077600000000, -0.0226130500000000, -0.0044952100000000 ] - [ 0.0040568000000000, 0.0014976900000000, -0.0010088900000000 ] - [ 0.0005087200000000, 0.0017123100000000, 0.0010423600000000 ] - [ 0.0000551200000000, 0.0002213900000000, -0.0001426600000000 ] - [ -0.0001006400000000, 0.0003262600000000, 0.0001612400000000 ] - [ -0.0001194500000000, 0.0002267700000000, -0.0001665300000000 ] - [ 0.0000552600000000, -0.0001884600000000, -0.0000749800000000 ] - [ 0.0002686400000000, -0.0002820200000000, -0.0004945200000000 ] - [ 0.0000565500000000, -0.0005637200000000, 0.0000537100000000 ] - [ -0.0018975500000000, 0.0030010700000000, -0.0028269900000000 ] - [ -0.0008908300000000, 0.0000538500000000, -0.0008195000000000 ] - [ -0.0002865200000000, 0.0005626600000000, 0.0001220700000000 ] - [ 0.0001796000000000, 0.0007240000000000, -0.0006714800000000 ] - [ 0.0011264600000000, 0.0013562100000000, 0.0007470700000000 ] - [ 0.0008262800000000, -0.0121323000000000, 0.0061090800000000 ] - [ 0.0002070700000000, 0.0003320100000000, -0.0004939800000000 ] - [ 0.0001671800000000, 0.0003140200000000, -0.0004885900000000 ] - [ -0.0002985200000000, 0.0003252800000000, -0.0004769000000000 ] - [ 0.0001126900000000, 0.0008377300000000, -0.0002619500000000 ] - [ 0.0004728000000000, 0.0089392600000000, 0.0044009300000000 ] - [ -0.0010018100000000, 0.0004966600000000, -0.0002772600000000 ] - [ -0.0002796600000000, 0.0024088300000000, -0.0000361600000000 ] - [ 0.0002005300000000, 0.0003035800000000, 0.0004105500000000 ] - [ 0.0010969600000000, 0.0070125100000000, 0.0019218500000000 ] - [ 0.0012095500000000, 0.0002105200000000, 0.0001122100000000 ] - [ -0.0003974700000000, 0.0003873300000000, -0.0005937200000000 ] - [ -0.0265085100000000, -0.0409166400000000, 0.0135616600000000 ] - [ 0.0008673800000000, -0.0009475300000000, 0.0005077400000000 ] - [ 0.0011998500000000, 0.0002758200000000, 0.0019049800000000 ] - [ -0.0008162800000000, -0.0009080300000000, -0.0010929100000000 ] - [ -0.0012863400000000, 0.0003681700000000, -0.0002157000000000 ] - [ 0.0008318200000000, -0.0022017700000000, -0.0005260700000000 ] - [ -0.0000700300000000, -0.0002220500000000, -0.0007901700000000 ] - [ 0.0004493500000000, 0.0004091300000000, 0.0000635600000000 ] - [ 0.0002547600000000, -0.0032180300000000, -0.0012312300000000 ] - [ -0.0004246800000000, -0.0022844800000000, 0.0019856900000000 ] - [ 0.0005956800000000, -0.0000757300000000, -0.0001633800000000 ] - [ 0.0006465700000000, 0.0006322800000000, 0.0011456900000000 ] - [ 0.0000759300000000, -0.0002689300000000, 0.0002359600000000 ] - [ -0.0004500500000000, -0.0008469000000000, -0.0006178300000000 ] - [ 0.0000551500000000, 0.0001974300000000, 0.0000273300000000 ] - [ 0.0003411300000000, -0.0016781200000000, -0.0011586800000000 ] - [ 0.0002212400000000, 0.0006494200000000, 0.0006303200000000 ] - [ 0.0112000400000000, 0.0025439700000000, -0.0082729900000000 ] - [ 0.0009518400000000, -0.0002061600000000, -0.0000517100000000 ] - [ 0.0015671300000000, 0.0010978100000000, -0.0004526100000000 ] - [ -0.0003461900000000, -0.0001175600000000, -0.0000211400000000 ] - [ 0.0004683900000000, 0.0001386800000000, 0.0007706000000000 ] - [ -0.0008143800000000, 0.0000889000000000, -0.0002912900000000 ] - [ -0.0003575100000000, -0.0000378600000000, -0.0000178400000000 ] - [ 0.0002595400000000, -0.0001063500000000, -0.0003211900000000 ] - [ -0.0005714100000000, 0.0005063600000000, 0.0002361200000000 ] - [ 0.0004459300000000, -0.0001932100000000, 0.0010294600000000 ] - [ 0.0000360700000000, 0.0002852600000000, 0.0002546500000000 ] - [ -0.0030820300000000, 0.0053169200000000, -0.0010250000000000 ] - [ -0.0001315700000000, 0.0004640900000000, -0.0003319500000000 ] - [ -0.0002082400000000, -0.0004070400000000, -0.0002463300000000 ] - [ 0.0003561700000000, -0.0001197500000000, 0.0002684300000000 ] - [ 0.0003559800000000, 0.0000840600000000, 0.0003129800000000 ] - [ 0.0002366800000000, 0.0002083300000000, 0.0001376900000000 ] - [ -0.0000784200000000, 0.0002340500000000, -0.0000224000000000 ] - [ -0.0014224400000000, 0.0810587500000000, -0.0228290000000000 ] - [ 0.0003697600000000, -0.0005959000000000, -0.0001739200000000 ] - [ -0.0000819800000000, 0.0002518500000000, -0.0003375100000000 ] - [ 0.0008942800000000, -0.0022689400000000, -0.0018537100000000 ] - [ -0.0007534200000000, -0.0036116600000000, -0.0002522800000000 ] - [ 0.0003151700000000, 0.0002221400000000, 0.0001157000000000 ] - [ -0.0003340300000000, 0.0001888500000000, 0.0001878100000000 ] - [ -0.0003843200000000, -0.0001744600000000, -0.0007022600000000 ] - [ -0.0071464500000000, 0.0017283300000000, 0.0040075000000000 ] - [ -0.0137868400000000, -0.0065365100000000, 0.0082851100000000 ] - [ -0.0002491300000000, 0.0009036500000000, 0.0005963600000000 ] - [ 0.0001779700000000, -0.0002283800000000, 0.0000520500000000 ] - [ 0.0001632400000000, -0.0003211900000000, 0.0000555500000000 ] - [ 0.0015347600000000, 0.0014168700000000, 0.0035415500000000 ] - [ -0.0003248200000000, 0.0001652000000000, 0.0000863700000000 ] - [ -0.0002323100000000, -0.0000199100000000, -0.0004533500000000 ] - [ 0.0000023300000000, 0.0003331400000000, 0.0002485400000000 ] - [ -0.0001336800000000, -0.0001723000000000, 0.0001103000000000 ] - [ -0.0001124500000000, -0.0002383300000000, 0.0001791800000000 ] - [ -0.0000988800000000, 0.0002383900000000, 0.0002736900000000 ] - [ -0.0003760900000000, -0.0006817400000000, -0.0004219300000000 ] - [ -0.0002300400000000, -0.0000272800000000, -0.0008904500000000 ] - [ -0.0011259600000000, -0.0028448700000000, -0.0005215600000000 ] - [ 0.0001719200000000, -0.0000494200000000, -0.0001478800000000 ] - [ -0.0009134500000000, -0.0034553800000000, 0.0007235900000000 ] - [ -0.0002703500000000, -0.0002757200000000, 0.0001700900000000 ] - [ 0.0003065500000000, 0.0001016500000000, 0.0006330100000000 ] - [ 0.0021220200000000, -0.0070565100000000, -0.0002008300000000 ] - [ 0.0079399800000000, -0.0099656700000000, 0.0002898300000000 ] - [ -0.0008617500000000, 0.0020996700000000, -0.0008303800000000 ] - [ -0.0002341700000000, 0.0001251300000000, 0.0001911000000000 ] - [ -0.0003806100000000, 0.0010663900000000, -0.0006428300000000 ] - [ 0.0027266100000000, -0.0013738000000000, -0.0029690400000000 ] - [ 0.0000737300000000, 0.0001597800000000, 0.0005661500000000 ] - [ -0.0000520000000000, 0.0002635900000000, 0.0000156800000000 ] - [ -0.0003712600000000, 0.0006352500000000, -0.0006887000000000 ] - [ 0.0002756400000000, -0.0005702500000000, 0.0005028900000000 ] - [ 0.0001073000000000, -0.0003398800000000, 0.0000144300000000 ] - [ -0.0002782100000000, -0.0031533800000000, -0.0015653600000000 ] - [ -0.0007727300000000, 0.0009193700000000, 0.0002439500000000 ] - [ 0.0002728400000000, 0.0008379500000000, -0.0003309600000000 ] - [ -0.0001564400000000, 0.0006491800000000, -0.0003171900000000 ] - [ -0.0000606800000000, 0.0005852000000000, 0.0014377500000000 ] - [ -0.0006027200000000, -0.0000802800000000, 0.0003663400000000 ] - [ 0.0003864700000000, -0.0005461400000000, 0.0002293500000000 ] - [ 0.0003845100000000, -0.0006851800000000, 0.0001198600000000 ]- atom: 75 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ -0.0042503300000000, -0.0050064400000000, -0.0024525800000000 ] - [ -0.0013600600000000, -0.0018352800000000, 0.0037044000000000 ] - [ -0.0000060700000000, -0.0001683200000000, 0.0022143600000000 ] - [ 0.0063596100000000, -0.0000517100000000, -0.0045309400000000 ] - [ -0.0000938900000000, 0.0004144400000000, -0.0009386600000000 ] - [ 0.0007933500000000, -0.0023628400000000, -0.0035496700000000 ] - [ 0.0026170200000000, -0.0011924500000000, 0.0019710700000000 ] - [ -0.0002661700000000, 0.0012165500000000, 0.0034238300000000 ] - [ -0.0001076500000000, 0.0008187600000000, -0.0010808300000000 ] - [ -0.0003027300000000, 0.0001814800000000, -0.0014288400000000 ] - [ 0.0001345900000000, 0.0006656800000000, -0.0009807400000000 ] - [ 0.0005991700000000, 0.0004403600000000, -0.0009627700000000 ] - [ 0.0000646600000000, 0.0004852700000000, -0.0014335100000000 ] - [ -0.0282710000000000, 0.0174555100000000, 0.0107475400000000 ] - [ 0.0053603200000000, 0.0017663500000000, -0.0010181800000000 ] - [ -0.0021372200000000, -0.0022802900000000, 0.0004879700000000 ] - [ -0.0000810300000000, 0.0002340400000000, -0.0011758200000000 ] - [ 0.0000503000000000, 0.0004006800000000, -0.0006511900000000 ] - [ 0.0001541000000000, 0.0001168600000000, -0.0011993500000000 ] - [ -0.0001324000000000, -0.0004920700000000, -0.0012116100000000 ] - [ 0.0005610500000000, -0.0008723800000000, -0.0002240200000000 ] - [ 0.0016997000000000, -0.0008852600000000, 0.0018031800000000 ] - [ -0.0033326800000000, 0.0029034400000000, -0.0023397700000000 ] - [ -0.0000453700000000, -0.0000247900000000, 0.0021642900000000 ] - [ -0.0004590500000000, 0.0008524700000000, -0.0010407000000000 ] - [ -0.0001970200000000, 0.0006484200000000, -0.0014433900000000 ] - [ 0.0043650300000000, 0.0035907900000000, 0.0023186800000000 ] - [ -0.0040213200000000, -0.0054076700000000, 0.0091940900000000 ] - [ 0.0000497800000000, 0.0000770600000000, -0.0014842100000000 ] - [ 0.0000995000000000, 0.0002381800000000, -0.0014877600000000 ] - [ -0.0003525900000000, 0.0002952900000000, -0.0019025400000000 ] - [ 0.0000406600000000, 0.0008403700000000, -0.0012264200000000 ] - [ -0.0003218200000000, 0.0015584800000000, 0.0073496300000000 ] - [ -0.0016214100000000, 0.0003228500000000, -0.0014412800000000 ] - [ 0.0009689500000000, -0.0009249500000000, -0.0023001000000000 ] - [ -0.0001492600000000, -0.0001803000000000, -0.0018841100000000 ] - [ -0.0006361000000000, 0.0007320300000000, 0.0037683400000000 ] - [ 0.0029131500000000, 0.0001977500000000, -0.0003315000000000 ] - [ -0.0002497700000000, 0.0003836900000000, -0.0022199300000000 ] - [ -0.1369141900000000, -0.0266646900000000, 0.0759989200000000 ] - [ 0.0008420900000000, -0.0009848400000000, -0.0010483700000000 ] - [ 0.0082826400000000, -0.0000707500000000, 0.0044497900000000 ] - [ -0.0006644100000000, -0.0008862200000000, -0.0025550100000000 ] - [ -0.0008397100000000, 0.0001083100000000, -0.0002916300000000 ] - [ -0.0004296800000000, 0.0003819600000000, -0.0023620800000000 ] - [ 0.0014124700000000, 0.0000306100000000, -0.0014014900000000 ] - [ 0.0005926300000000, 0.0004412300000000, -0.0014633200000000 ] - [ -0.0011301900000000, -0.0034066100000000, -0.0045753000000000 ] - [ -0.0007055100000000, -0.0015097200000000, 0.0019090600000000 ] - [ 0.0007508500000000, 0.0001583200000000, 0.0004034600000000 ] - [ 0.0013706300000000, 0.0006225000000000, 0.0023395500000000 ] - [ 0.0000110600000000, -0.0003115300000000, 0.0011525000000000 ] - [ -0.0006496400000000, -0.0005812600000000, 0.0006209200000000 ] - [ 0.0001243000000000, 0.0001657900000000, 0.0006943100000000 ] - [ -0.0000153900000000, 0.0027039900000000, 0.0030448500000000 ] - [ 0.0004459900000000, 0.0006449300000000, 0.0015981100000000 ] - [ -0.0218641600000000, 0.0071500300000000, 0.0134898400000000 ] - [ -0.0000525100000000, -0.0002055800000000, -0.0005081500000000 ] - [ -0.0058058400000000, 0.0004833600000000, -0.0031036400000000 ] - [ -0.0015842200000000, -0.0006050400000000, 0.0010394500000000 ] - [ 0.0003110600000000, -0.0002135600000000, 0.0002535100000000 ] - [ -0.0029386200000000, -0.0002196900000000, -0.0019870600000000 ] - [ -0.0003087000000000, -0.0003939000000000, 0.0007847800000000 ] - [ -0.0003072400000000, 0.0000011200000000, -0.0005210000000000 ] - [ -0.0021886900000000, 0.0004411400000000, 0.0014100900000000 ] - [ 0.0005786400000000, -0.0002379100000000, 0.0018254000000000 ] - [ 0.0002156500000000, 0.0004107100000000, 0.0010558300000000 ] - [ -0.0040421000000000, -0.0016833600000000, -0.0095881300000000 ] - [ 0.0004368200000000, 0.0001123400000000, 0.0006100400000000 ] - [ 0.0003280900000000, 0.0004420700000000, 0.0014564000000000 ] - [ -0.0006515000000000, 0.0002126200000000, 0.0010099900000000 ] - [ 0.0003677100000000, 0.0004357400000000, 0.0010492800000000 ] - [ 0.0003243100000000, 0.0003152300000000, 0.0003747600000000 ] - [ -0.0001301200000000, 0.0001905800000000, 0.0008674500000000 ] - [ 0.2189503600000000, 0.0217581000000000, -0.1130528700000000 ] - [ -0.0008416300000000, -0.0001929800000000, -0.0008814500000000 ] - [ -0.0001256300000000, 0.0005364200000000, 0.0003765700000000 ] - [ 0.0002115100000000, -0.0016177300000000, -0.0025369200000000 ] - [ 0.0014294000000000, -0.0001261500000000, -0.0023897600000000 ] - [ 0.0000015200000000, -0.0000861000000000, 0.0007108100000000 ] - [ 0.0002030700000000, -0.0004278700000000, 0.0011051700000000 ] - [ -0.0001286500000000, -0.0001407700000000, 0.0002049100000000 ] - [ -0.0177402800000000, -0.0056698800000000, 0.0104073200000000 ] - [ -0.0112244600000000, -0.0119074700000000, 0.0048792000000000 ] - [ -0.0001773400000000, 0.0010247400000000, 0.0013328900000000 ] - [ -0.0017788600000000, 0.0000987100000000, -0.0004578200000000 ] - [ -0.0000935100000000, -0.0004327100000000, 0.0007113200000000 ] - [ 0.0041196600000000, 0.0003473700000000, 0.0058721800000000 ] - [ -0.0003635900000000, 0.0005024600000000, 0.0011413800000000 ] - [ -0.0030995400000000, -0.0008162800000000, -0.0020432900000000 ] - [ -0.0001085300000000, 0.0005944400000000, 0.0009863200000000 ] - [ -0.0004747700000000, 0.0001379200000000, 0.0005818900000000 ] - [ -0.0002087600000000, -0.0002179900000000, 0.0011577900000000 ] - [ -0.0002544400000000, 0.0002369600000000, 0.0010414500000000 ] - [ -0.0008556800000000, 0.0002583000000000, -0.0019486500000000 ] - [ -0.0005572100000000, 0.0000907000000000, -0.0017416200000000 ] - [ 0.0007337000000000, 0.0010681200000000, -0.0022972600000000 ] - [ 0.0000333800000000, -0.0000645600000000, 0.0009834600000000 ] - [ 0.0005569800000000, -0.0015188100000000, -0.0007346900000000 ] - [ -0.0006296200000000, -0.0001822500000000, 0.0008292400000000 ] - [ 0.0001040900000000, 0.0001339900000000, 0.0009855200000000 ] - [ 0.0000871000000000, 0.0004466200000000, -0.0031541600000000 ] - [ 0.0035095300000000, -0.0025020600000000, -0.0034447600000000 ] - [ -0.0054018900000000, 0.0003796500000000, -0.0040726700000000 ] - [ -0.0005533100000000, 0.0002442100000000, 0.0006354300000000 ] - [ 0.0017070700000000, 0.0002872400000000, 0.0012145000000000 ] - [ -0.0045733400000000, 0.0046424300000000, 0.0024461300000000 ] - [ 0.0000672000000000, -0.0000985700000000, 0.0012040200000000 ] - [ -0.0002091800000000, -0.0000549600000000, 0.0008976300000000 ] - [ 0.0011281100000000, 0.0010756000000000, 0.0001688100000000 ] - [ 0.0009982400000000, -0.0001093000000000, 0.0010192300000000 ] - [ 0.0002188900000000, -0.0005057600000000, 0.0006591800000000 ] - [ 0.0004705900000000, -0.0006967600000000, -0.0031162800000000 ] - [ -0.0000173200000000, 0.0009920300000000, 0.0015572400000000 ] - [ 0.0003086400000000, 0.0007331500000000, 0.0003816900000000 ] - [ -0.0000390800000000, 0.0006645600000000, 0.0005874700000000 ] - [ 0.0008440400000000, -0.0003463000000000, 0.0006911700000000 ] - [ -0.0009520900000000, -0.0003945300000000, 0.0008326300000000 ] - [ 0.0003945800000000, -0.0004754600000000, 0.0002061600000000 ] - [ 0.0007224700000000, -0.0002984700000000, 0.0008234300000000 ]- atom: 75 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ 0.0040496000000000, 0.0044700100000000, 0.0023788000000000 ] - [ 0.0015689300000000, 0.0011193900000000, -0.0032293100000000 ] - [ 0.0005477800000000, -0.0007858600000000, -0.0027728300000000 ] - [ -0.0070134400000000, -0.0007779800000000, 0.0038965500000000 ] - [ 0.0003185600000000, 0.0002982500000000, 0.0014356200000000 ] - [ -0.0010813200000000, 0.0011638600000000, 0.0045410700000000 ] - [ -0.0031460400000000, 0.0002309200000000, -0.0013958300000000 ] - [ 0.0004195200000000, -0.0017169800000000, -0.0033469000000000 ] - [ -0.0001132000000000, 0.0008193700000000, 0.0012340800000000 ] - [ 0.0001594800000000, -0.0004827300000000, 0.0011117600000000 ] - [ -0.0004234600000000, 0.0005254000000000, 0.0019739500000000 ] - [ 0.0001289600000000, 0.0004028200000000, 0.0015496200000000 ] - [ -0.0002817000000000, 0.0002269500000000, 0.0009408000000000 ] - [ 0.0291855600000000, -0.0198006500000000, -0.0104980800000000 ] - [ -0.0050728200000000, -0.0023863300000000, 0.0003805800000000 ] - [ 0.0028559100000000, 0.0014402700000000, 0.0000983900000000 ] - [ 0.0002262500000000, 0.0002650000000000, 0.0012364900000000 ] - [ -0.0002874000000000, 0.0002314200000000, 0.0012787100000000 ] - [ -0.0003070200000000, 0.0003825400000000, 0.0011120800000000 ] - [ 0.0002700800000000, 0.0001871500000000, 0.0015114100000000 ] - [ -0.0002663200000000, -0.0003205600000000, -0.0007729300000000 ] - [ -0.0014642600000000, -0.0007563700000000, -0.0019485600000000 ] - [ 0.0030706700000000, -0.0035891500000000, 0.0018217300000000 ] - [ -0.0000874200000000, 0.0003277600000000, -0.0024472300000000 ] - [ -0.0000735900000000, 0.0001075100000000, 0.0016191200000000 ] - [ 0.0004863000000000, 0.0005437800000000, 0.0004353300000000 ] - [ -0.0042044500000000, -0.0032794300000000, -0.0020036800000000 ] - [ 0.0038523800000000, 0.0055318600000000, -0.0090951200000000 ] - [ 0.0004859700000000, 0.0008796100000000, 0.0008997400000000 ] - [ 0.0001388900000000, 0.0003931800000000, 0.0008504300000000 ] - [ -0.0003740800000000, 0.0005495000000000, 0.0013027600000000 ] - [ 0.0001808600000000, 0.0008010100000000, 0.0010609500000000 ] - [ 0.0011443000000000, -0.0023251000000000, -0.0066249500000000 ] - [ -0.0003174800000000, 0.0003247500000000, 0.0012799200000000 ] - [ -0.0011502500000000, 0.0012296200000000, 0.0032835100000000 ] - [ -0.0000370400000000, -0.0001354700000000, 0.0028707500000000 ] - [ -0.0010065600000000, 0.0011122100000000, -0.0054022300000000 ] - [ -0.0009720100000000, 0.0004495800000000, 0.0004806700000000 ] - [ -0.0005751900000000, 0.0004222500000000, 0.0015672700000000 ] - [ 0.1293112600000000, 0.0242960300000000, -0.0749258800000000 ] - [ 0.0008047000000000, -0.0008764400000000, 0.0026758300000000 ] - [ -0.0066023300000000, 0.0019354100000000, -0.0027763000000000 ] - [ -0.0009816200000000, -0.0009755200000000, 0.0009109800000000 ] - [ -0.0010952400000000, -0.0007538200000000, 0.0001284100000000 ] - [ 0.0023475500000000, -0.0010280800000000, 0.0025113500000000 ] - [ -0.0012140900000000, -0.0003436700000000, 0.0004022900000000 ] - [ 0.0002340200000000, 0.0003653000000000, 0.0020978000000000 ] - [ 0.0013138600000000, 0.0037194800000000, 0.0035789800000000 ] - [ 0.0001643000000000, 0.0010329000000000, -0.0018939800000000 ] - [ 0.0004503100000000, -0.0002582500000000, -0.0009878700000000 ] - [ -0.0006501500000000, -0.0004550000000000, -0.0012461100000000 ] - [ 0.0001853500000000, -0.0001952900000000, -0.0011304400000000 ] - [ -0.0000709600000000, 0.0004101400000000, -0.0017088200000000 ] - [ 0.0000377800000000, 0.0002967100000000, -0.0009486900000000 ] - [ 0.0004928300000000, -0.0028425200000000, -0.0032083500000000 ] - [ -0.0000702100000000, 0.0006621200000000, -0.0006749800000000 ] - [ 0.0212551500000000, -0.0074409400000000, -0.0133166000000000 ] - [ 0.0012529900000000, 0.0003061000000000, -0.0000763700000000 ] - [ 0.0059673500000000, 0.0000111200000000, 0.0031172500000000 ] - [ 0.0005753500000000, -0.0000272700000000, -0.0010566100000000 ] - [ 0.0004066000000000, 0.0000441800000000, 0.0008327200000000 ] - [ 0.0024238700000000, -0.0015210900000000, 0.0028929000000000 ] - [ -0.0003870800000000, 0.0004477300000000, -0.0011354400000000 ] - [ 0.0005011200000000, 0.0005296400000000, 0.0003937000000000 ] - [ 0.0016702000000000, 0.0001156500000000, -0.0015567000000000 ] - [ 0.0002363300000000, -0.0001298000000000, -0.0000770500000000 ] - [ -0.0000833800000000, 0.0000862400000000, -0.0007749900000000 ] - [ 0.0044221000000000, 0.0003610300000000, 0.0103720300000000 ] - [ -0.0008786900000000, 0.0002708400000000, -0.0016775100000000 ] - [ -0.0010429100000000, -0.0002700000000000, -0.0025354600000000 ] - [ 0.0016393300000000, 0.0004178900000000, -0.0009808700000000 ] - [ 0.0003276200000000, -0.0003782900000000, -0.0006895800000000 ] - [ 0.0001875400000000, 0.0002419700000000, -0.0002230700000000 ] - [ -0.0000012800000000, 0.0003072200000000, -0.0011381900000000 ] - [ -0.2133096200000000, -0.0196605800000000, 0.1118030400000000 ] - [ 0.0009967200000000, -0.0002667800000000, 0.0006155200000000 ] - [ -0.0000303400000000, -0.0001231500000000, -0.0012776200000000 ] - [ 0.0002402900000000, 0.0022005300000000, 0.0023948000000000 ] - [ -0.0013649400000000, -0.0004530600000000, 0.0025969300000000 ] - [ 0.0005320600000000, 0.0005583100000000, -0.0007106100000000 ] - [ -0.0007060600000000, -0.0001304600000000, -0.0012502100000000 ] - [ -0.0006837400000000, -0.0002262400000000, -0.0019433000000000 ] - [ 0.0177910500000000, 0.0052872300000000, -0.0102978100000000 ] - [ 0.0108198600000000, 0.0111998300000000, -0.0056574600000000 ] - [ -0.0003317900000000, 0.0007149500000000, -0.0004117300000000 ] - [ 0.0018894400000000, -0.0005930900000000, 0.0007296300000000 ] - [ 0.0005469300000000, -0.0001673900000000, -0.0008271400000000 ] - [ -0.0036108900000000, -0.0008020300000000, -0.0059115400000000 ] - [ -0.0001726600000000, -0.0000264400000000, -0.0011325500000000 ] - [ 0.0024011800000000, 0.0007609900000000, 0.0016798500000000 ] - [ 0.0001665500000000, -0.0000154500000000, -0.0007605800000000 ] - [ 0.0002770600000000, -0.0006657000000000, -0.0004478600000000 ] - [ 0.0000112000000000, -0.0002888500000000, -0.0011695000000000 ] - [ 0.0000919600000000, 0.0002246700000000, -0.0007776700000000 ] - [ 0.0006506000000000, 0.0002520800000000, 0.0019285800000000 ] - [ 0.0001100500000000, -0.0004747000000000, 0.0006714900000000 ] - [ -0.0000442300000000, -0.0011239600000000, 0.0026374200000000 ] - [ 0.0004427500000000, 0.0002206300000000, -0.0011707600000000 ] - [ 0.0002474400000000, 0.0018714600000000, 0.0024601600000000 ] - [ 0.0001726200000000, -0.0004164200000000, -0.0007055200000000 ] - [ 0.0003421600000000, 0.0002498500000000, 0.0000892300000000 ] - [ 0.0004158700000000, -0.0021394000000000, 0.0022166600000000 ] - [ -0.0032997600000000, 0.0020238200000000, 0.0043248600000000 ] - [ 0.0045506300000000, -0.0000180500000000, 0.0023028700000000 ] - [ 0.0000748300000000, -0.0000860900000000, -0.0004420000000000 ] - [ -0.0018830900000000, 0.0002454600000000, -0.0010861900000000 ] - [ 0.0044688200000000, -0.0051716300000000, -0.0027458700000000 ] - [ 0.0000888600000000, 0.0005096200000000, -0.0002950900000000 ] - [ 0.0001507900000000, 0.0006303500000000, -0.0011139900000000 ] - [ -0.0016066000000000, -0.0012366600000000, 0.0000209000000000 ] - [ -0.0005481600000000, -0.0002737400000000, 0.0000494500000000 ] - [ -0.0000236500000000, -0.0000252100000000, -0.0007860400000000 ] - [ -0.0008347700000000, -0.0006155400000000, 0.0021745000000000 ] - [ -0.0009763500000000, -0.0003605500000000, -0.0015753600000000 ] - [ 0.0002015400000000, 0.0010062200000000, -0.0012948700000000 ] - [ -0.0003340800000000, 0.0006435300000000, -0.0014999000000000 ] - [ -0.0020295200000000, 0.0004444300000000, -0.0001064200000000 ] - [ -0.0002490100000000, 0.0002911200000000, -0.0002416300000000 ] - [ 0.0001173300000000, -0.0000820200000000, -0.0000508900000000 ] - [ 0.0002761300000000, -0.0003329700000000, -0.0007946000000000 ]- atom: 77 displacement: [ 0.0099999994740088, 0.0000000000000000, 0.0000032434276751 ] forces: - [ -0.0002463800000000, -0.0002546600000000, -0.0000809900000000 ] - [ -0.0002859100000000, -0.0006141900000000, -0.0001087200000000 ] - [ 0.0003900500000000, -0.0005053400000000, -0.0003385900000000 ] - [ -0.0003561900000000, -0.0004514800000000, -0.0002227000000000 ] - [ 0.0008129100000000, -0.0016016600000000, -0.0013614500000000 ] - [ 0.0009004700000000, -0.0005613100000000, 0.0004612300000000 ] - [ 0.0000404100000000, -0.0001791800000000, 0.0003774200000000 ] - [ -0.0002663100000000, 0.0000847400000000, -0.0002174400000000 ] - [ -0.0053257500000000, 0.0000585500000000, 0.0012981200000000 ] - [ -0.0036782600000000, 0.0001522700000000, 0.0004842000000000 ] - [ -0.0004517500000000, 0.0003272600000000, 0.0012317000000000 ] - [ 0.0008571100000000, 0.0003116400000000, 0.0010224200000000 ] - [ 0.0203414300000000, 0.0120825600000000, 0.0165699900000000 ] - [ -0.0000956500000000, -0.0007800200000000, 0.0001250300000000 ] - [ 0.0001373800000000, -0.0002950500000000, -0.0002865700000000 ] - [ 0.0002616500000000, -0.0002847200000000, 0.0005897100000000 ] - [ 0.0006627400000000, 0.0016262000000000, -0.0017047100000000 ] - [ 0.0002077400000000, 0.0033694200000000, 0.0039762500000000 ] - [ 0.0011496900000000, 0.0002980800000000, -0.0006766500000000 ] - [ -0.0014602400000000, -0.0000392200000000, -0.0006088800000000 ] - [ 0.0003293100000000, -0.0005977600000000, -0.0004905000000000 ] - [ 0.0001690600000000, -0.0008562600000000, -0.0000728100000000 ] - [ -0.0002720900000000, -0.0003408100000000, -0.0003000800000000 ] - [ 0.0000361700000000, 0.0001717500000000, -0.0001867000000000 ] - [ -0.0015024600000000, 0.0009860800000000, -0.0001209200000000 ] - [ -0.0004605200000000, 0.0005323000000000, 0.0001458000000000 ] - [ 0.0004143800000000, -0.0001369500000000, 0.0001846500000000 ] - [ -0.0001505000000000, -0.0003701000000000, 0.0004362400000000 ] - [ -0.0017567400000000, 0.0002508900000000, 0.0000304800000000 ] - [ 0.0084420600000000, 0.0014707100000000, 0.0006021800000000 ] - [ 0.0010084700000000, -0.0021557300000000, 0.0014037100000000 ] - [ -0.0018631500000000, 0.0008086300000000, 0.0000911700000000 ] - [ 0.0003163800000000, -0.0004260600000000, 0.0002931400000000 ] - [ -0.0008880300000000, 0.0003473300000000, -0.0005561100000000 ] - [ -0.0002549600000000, 0.0001527000000000, 0.0008026200000000 ] - [ -0.0005633700000000, 0.0017920900000000, 0.0016177600000000 ] - [ -0.0008297800000000, 0.0009507700000000, -0.0007535100000000 ] - [ 0.0016292400000000, 0.0046211900000000, -0.0039289800000000 ] - [ 0.0357638800000000, -0.0039548500000000, 0.0003240600000000 ] - [ -0.0005912300000000, -0.0004007500000000, -0.0004275000000000 ] - [ -0.0068950300000000, -0.0016221500000000, -0.0075394600000000 ] - [ 0.0009275700000000, 0.0008923300000000, 0.0006861900000000 ] - [ -0.0027029700000000, -0.0035629900000000, 0.0003182900000000 ] - [ -0.0011876800000000, -0.0008996500000000, -0.0006703000000000 ] - [ 0.0002495600000000, -0.0004448600000000, -0.0006983900000000 ] - [ 0.0006080500000000, -0.0005147100000000, -0.0002658700000000 ] - [ 0.0088323600000000, 0.0017306000000000, 0.0002236100000000 ] - [ -0.0014893500000000, 0.0001694500000000, 0.0000228600000000 ] - [ -0.0002061800000000, -0.0002148400000000, -0.0000878500000000 ] - [ 0.0005807900000000, 0.0001456600000000, 0.0001007800000000 ] - [ 0.0018760200000000, -0.0003521400000000, 0.0003047200000000 ] - [ 0.0051669600000000, -0.0007785400000000, 0.0004156200000000 ] - [ -0.0010598300000000, -0.0005925200000000, -0.0017200100000000 ] - [ 0.0008892400000000, 0.0002249800000000, -0.0003963300000000 ] - [ 0.0003181300000000, -0.0000914800000000, -0.0002050400000000 ] - [ -0.0016878700000000, 0.0084523500000000, 0.0086166400000000 ] - [ 0.0000339600000000, -0.0002664100000000, -0.0000822600000000 ] - [ 0.0005087600000000, 0.0003239200000000, 0.0000215500000000 ] - [ 0.0000095200000000, 0.0002517800000000, 0.0000419600000000 ] - [ -0.0006999300000000, -0.0002735900000000, -0.0001538900000000 ] - [ 0.0001432400000000, -0.0000110700000000, 0.0004523200000000 ] - [ -0.0003061000000000, -0.0008533200000000, 0.0005296500000000 ] - [ 0.0011352100000000, -0.0006698400000000, 0.0015182500000000 ] - [ -0.0000236100000000, 0.0001831100000000, 0.0001158700000000 ] - [ -0.0014872300000000, -0.0003647200000000, 0.0012325500000000 ] - [ 0.0004426000000000, -0.0002920600000000, 0.0004020700000000 ] - [ 0.0010620300000000, 0.0008444800000000, -0.0005044900000000 ] - [ 0.0003367700000000, -0.0006403200000000, 0.0006777700000000 ] - [ 0.0002646300000000, 0.0001197000000000, 0.0007896700000000 ] - [ -0.0001459000000000, -0.0000069900000000, -0.0007215500000000 ] - [ 0.0004695400000000, 0.0003167300000000, -0.0001989300000000 ] - [ 0.0011172200000000, 0.0003442800000000, 0.0004466400000000 ] - [ -0.0000044600000000, 0.0002874100000000, 0.0001914300000000 ] - [ 0.0008411800000000, 0.0006275000000000, -0.0007602900000000 ] - [ -0.0001473500000000, 0.0003016800000000, 0.0000477800000000 ] - [ 0.0000175700000000, -0.0002429600000000, -0.0001426700000000 ] - [ -0.0774246300000000, -0.0109326300000000, -0.0170748500000000 ] - [ 0.0002538200000000, 0.0002947700000000, -0.0000576700000000 ] - [ 0.0001043400000000, -0.0002886200000000, 0.0000822300000000 ] - [ -0.0007254700000000, 0.0004643600000000, -0.0004418800000000 ] - [ 0.0003119800000000, -0.0002378500000000, -0.0002180800000000 ] - [ 0.0179472500000000, 0.0131504700000000, 0.0037433400000000 ] - [ -0.0002492000000000, -0.0001429100000000, 0.0001263700000000 ] - [ -0.0000196300000000, -0.0002391800000000, -0.0004132200000000 ] - [ 0.0012812500000000, 0.0024781500000000, 0.0025609600000000 ] - [ 0.0000007600000000, -0.0002299700000000, 0.0001261700000000 ] - [ 0.0001051300000000, -0.0081707700000000, 0.0036857400000000 ] - [ 0.0006582800000000, -0.0003294000000000, -0.0001985700000000 ] - [ -0.0029958000000000, -0.0045551700000000, -0.0062868900000000 ] - [ -0.0004376900000000, -0.0000319600000000, -0.0000527600000000 ] - [ -0.0030404600000000, 0.0008640200000000, -0.0002669100000000 ] - [ 0.0001219900000000, -0.0013801800000000, 0.0003076400000000 ] - [ 0.0017733400000000, 0.0004454100000000, -0.0004688900000000 ] - [ 0.0026141900000000, 0.0000250700000000, -0.0010473100000000 ] - [ -0.0001664600000000, 0.0002817600000000, -0.0001417300000000 ] - [ 0.0004526400000000, -0.0008628100000000, 0.0008421900000000 ] - [ 0.0003292700000000, -0.0000218300000000, 0.0001771000000000 ] - [ -0.0000479100000000, -0.0006411900000000, -0.0000514700000000 ] - [ 0.0004244500000000, 0.0002063400000000, 0.0007855700000000 ] - [ 0.0026077100000000, -0.0139858600000000, -0.0109432900000000 ] - [ -0.0004589100000000, -0.0003375800000000, 0.0003595600000000 ] - [ 0.0002423100000000, -0.0008848800000000, -0.0004572000000000 ] - [ 0.0001539200000000, -0.0001904200000000, 0.0004597000000000 ] - [ -0.0004161500000000, 0.0001781400000000, -0.0008529300000000 ] - [ -0.0006716800000000, 0.0001410400000000, 0.0002054900000000 ] - [ 0.0000215200000000, 0.0001666900000000, 0.0003192800000000 ] - [ -0.0001833700000000, -0.0003826700000000, -0.0002144400000000 ] - [ -0.0025011700000000, -0.0001747800000000, 0.0002442500000000 ] - [ -0.0079678200000000, 0.0017701500000000, 0.0006421000000000 ] - [ 0.0002274400000000, -0.0000783900000000, -0.0000831400000000 ] - [ 0.0003641900000000, -0.0001889900000000, 0.0007215100000000 ] - [ 0.0000635500000000, -0.0005333300000000, 0.0003114400000000 ] - [ -0.0001278700000000, -0.0006517200000000, -0.0004332800000000 ] - [ -0.0000304800000000, 0.0003910800000000, -0.0011446500000000 ] - [ 0.0033877400000000, 0.0031248500000000, -0.0013939200000000 ] - [ -0.0026375100000000, 0.0067639500000000, -0.0024057100000000 ] - [ -0.0005028400000000, 0.0001177300000000, 0.0004779200000000 ] - [ 0.0053486800000000, -0.0029135700000000, 0.0061953600000000 ] - [ 0.0008153900000000, -0.0000689700000000, -0.0000345600000000 ] - [ 0.0006352400000000, -0.0005182200000000, -0.0003236000000000 ]- atom: 77 displacement: [ -0.0099999994740088, 0.0000000000000000, -0.0000032434276751 ] forces: - [ 0.0001003900000000, -0.0002432300000000, 0.0000144900000000 ] - [ 0.0005026800000000, -0.0000993700000000, 0.0005925100000000 ] - [ 0.0001405300000000, -0.0004525000000000, -0.0002486300000000 ] - [ -0.0003693200000000, -0.0003911400000000, -0.0003728800000000 ] - [ -0.0005920100000000, 0.0023017500000000, 0.0018486900000000 ] - [ -0.0011917800000000, -0.0006294300000000, 0.0005408300000000 ] - [ -0.0005755600000000, -0.0007779700000000, 0.0002015700000000 ] - [ 0.0004197000000000, -0.0005826600000000, 0.0002952700000000 ] - [ 0.0051031400000000, 0.0015929000000000, -0.0011177500000000 ] - [ 0.0035262800000000, -0.0004602900000000, -0.0008017800000000 ] - [ 0.0001621300000000, 0.0008659900000000, -0.0002275300000000 ] - [ -0.0001220600000000, 0.0005301600000000, -0.0004271200000000 ] - [ -0.0203361200000000, -0.0107404200000000, -0.0163500200000000 ] - [ -0.0001258900000000, -0.0008612300000000, 0.0000336900000000 ] - [ 0.0001016400000000, -0.0003360200000000, -0.0003470900000000 ] - [ 0.0004632800000000, -0.0005591300000000, 0.0000025500000000 ] - [ -0.0005289200000000, -0.0011190800000000, 0.0017630800000000 ] - [ -0.0004400500000000, -0.0027399800000000, -0.0033459000000000 ] - [ -0.0012749100000000, 0.0001910700000000, 0.0006164600000000 ] - [ 0.0016044700000000, -0.0002661100000000, 0.0009239200000000 ] - [ -0.0000383300000000, -0.0005922400000000, -0.0005137700000000 ] - [ 0.0000527500000000, -0.0007824900000000, -0.0000878100000000 ] - [ 0.0000471800000000, -0.0003725100000000, -0.0002035000000000 ] - [ -0.0001759400000000, 0.0001305100000000, -0.0001221300000000 ] - [ 0.0009724100000000, -0.0000297900000000, 0.0007125700000000 ] - [ 0.0007506000000000, 0.0006604200000000, -0.0011501600000000 ] - [ -0.0002704300000000, 0.0004375200000000, 0.0001265700000000 ] - [ -0.0000889900000000, -0.0002618600000000, 0.0001938500000000 ] - [ 0.0022958300000000, 0.0007144800000000, -0.0006143500000000 ] - [ -0.0091307500000000, -0.0004443500000000, -0.0009156400000000 ] - [ -0.0017751300000000, 0.0030159600000000, -0.0019913100000000 ] - [ 0.0020834800000000, 0.0008353700000000, -0.0002537200000000 ] - [ 0.0005127600000000, -0.0003791700000000, 0.0003485400000000 ] - [ -0.0010519800000000, 0.0002998900000000, 0.0003974700000000 ] - [ 0.0000702200000000, 0.0001602500000000, 0.0001963400000000 ] - [ 0.0003694700000000, -0.0021114300000000, -0.0006044200000000 ] - [ -0.0008173500000000, 0.0009104300000000, -0.0008838800000000 ] - [ 0.0003156000000000, -0.0039550200000000, 0.0040664100000000 ] - [ -0.0368228800000000, 0.0059547200000000, -0.0002623600000000 ] - [ -0.0002380000000000, -0.0004040600000000, -0.0002183900000000 ] - [ 0.0085497700000000, -0.0002442800000000, 0.0092477500000000 ] - [ 0.0007196100000000, 0.0009693400000000, 0.0009462700000000 ] - [ 0.0010642300000000, 0.0016744200000000, -0.0019421800000000 ] - [ -0.0007418000000000, 0.0002479700000000, 0.0005158400000000 ] - [ 0.0016832200000000, -0.0002035100000000, 0.0008499300000000 ] - [ -0.0004193900000000, 0.0002023600000000, -0.0007380200000000 ] - [ -0.0080330400000000, -0.0009378100000000, 0.0004368600000000 ] - [ 0.0016725000000000, 0.0001460200000000, -0.0010287600000000 ] - [ -0.0003325100000000, -0.0002601500000000, 0.0000934100000000 ] - [ 0.0006201800000000, -0.0002484600000000, -0.0006928300000000 ] - [ -0.0011540700000000, 0.0005188900000000, 0.0007952100000000 ] - [ -0.0050024300000000, 0.0002746300000000, -0.0004098100000000 ] - [ 0.0003399900000000, 0.0004289700000000, 0.0006262200000000 ] - [ -0.0006853200000000, 0.0002264100000000, 0.0001370000000000 ] - [ 0.0001564000000000, -0.0000648600000000, 0.0000156200000000 ] - [ 0.0020972800000000, -0.0071632500000000, -0.0077594400000000 ] - [ -0.0000923700000000, -0.0003125500000000, -0.0001415700000000 ] - [ 0.0006891400000000, -0.0002207400000000, -0.0006094600000000 ] - [ 0.0001884300000000, 0.0002547300000000, -0.0000245500000000 ] - [ -0.0003081200000000, -0.0003593500000000, 0.0001336900000000 ] - [ 0.0005804800000000, -0.0001574900000000, 0.0006468200000000 ] - [ -0.0002034600000000, -0.0008885800000000, 0.0003898800000000 ] - [ -0.0018288000000000, 0.0007264500000000, -0.0018857400000000 ] - [ 0.0002180600000000, 0.0003453400000000, -0.0002486600000000 ] - [ 0.0009710300000000, 0.0009185000000000, -0.0013848900000000 ] - [ 0.0003640900000000, -0.0000720600000000, 0.0013356700000000 ] - [ -0.0009289700000000, -0.0003564300000000, 0.0007827800000000 ] - [ 0.0000386800000000, -0.0006680200000000, 0.0002465500000000 ] - [ -0.0007060800000000, 0.0002635400000000, -0.0018541700000000 ] - [ -0.0005765300000000, 0.0001763300000000, -0.0003756300000000 ] - [ 0.0005313500000000, 0.0003151900000000, 0.0002227000000000 ] - [ -0.0004263700000000, -0.0002864900000000, -0.0000924900000000 ] - [ 0.0005137900000000, 0.0002700100000000, -0.0000385700000000 ] - [ -0.0009749600000000, -0.0001329800000000, 0.0004813200000000 ] - [ -0.0003107100000000, 0.0002947200000000, 0.0000743900000000 ] - [ 0.0001437900000000, -0.0002186400000000, -0.0001153400000000 ] - [ 0.0783684300000000, 0.0093836100000000, 0.0145291500000000 ] - [ 0.0002029400000000, 0.0003025800000000, -0.0000625300000000 ] - [ -0.0000475300000000, -0.0002897100000000, 0.0001427200000000 ] - [ 0.0012614100000000, 0.0000101400000000, 0.0004367000000000 ] - [ -0.0008180200000000, -0.0003197500000000, 0.0000666200000000 ] - [ -0.0190829400000000, -0.0137656700000000, -0.0055026100000000 ] - [ 0.0000877500000000, -0.0003190400000000, 0.0001339500000000 ] - [ -0.0001371100000000, -0.0001731100000000, -0.0004927700000000 ] - [ -0.0017893600000000, -0.0007558400000000, -0.0016712900000000 ] - [ 0.0001300600000000, -0.0002672800000000, 0.0001491200000000 ] - [ 0.0003449900000000, 0.0076566100000000, -0.0038415800000000 ] - [ -0.0001200400000000, -0.0001440000000000, 0.0001968300000000 ] - [ 0.0024847500000000, 0.0050449300000000, 0.0063235100000000 ] - [ -0.0002578500000000, -0.0000207900000000, -0.0002990900000000 ] - [ 0.0030941000000000, -0.0003130300000000, 0.0005201400000000 ] - [ -0.0003245200000000, 0.0008401800000000, -0.0001761500000000 ] - [ -0.0019664900000000, -0.0009467600000000, 0.0004467600000000 ] - [ -0.0027804000000000, 0.0004364100000000, 0.0013046900000000 ] - [ -0.0000327100000000, 0.0002247100000000, 0.0001279600000000 ] - [ -0.0008987100000000, 0.0004741800000000, -0.0019052700000000 ] - [ 0.0003670100000000, -0.0000314400000000, 0.0001768300000000 ] - [ 0.0005286600000000, 0.0008131900000000, -0.0001541700000000 ] - [ 0.0003900000000000, 0.0001608200000000, 0.0009594300000000 ] - [ -0.0030221700000000, 0.0132540900000000, 0.0109395200000000 ] - [ 0.0008959100000000, 0.0007113100000000, 0.0007015400000000 ] - [ 0.0002670700000000, -0.0008556800000000, -0.0004596000000000 ] - [ 0.0000022400000000, -0.0002203000000000, 0.0004477700000000 ] - [ -0.0003975700000000, 0.0001884100000000, -0.0008896400000000 ] - [ 0.0001955400000000, 0.0000126800000000, -0.0000140000000000 ] - [ -0.0002146600000000, 0.0003604600000000, -0.0001853700000000 ] - [ 0.0000523600000000, -0.0001151700000000, -0.0000593300000000 ] - [ 0.0026596900000000, 0.0005942600000000, 0.0006624900000000 ] - [ 0.0079354700000000, -0.0011102300000000, -0.0008734800000000 ] - [ -0.0007034500000000, -0.0000803100000000, 0.0002765800000000 ] - [ 0.0000822200000000, -0.0001945200000000, 0.0003500300000000 ] - [ 0.0001327000000000, 0.0000032800000000, -0.0004432500000000 ] - [ -0.0002459300000000, -0.0006556800000000, -0.0004865100000000 ] - [ -0.0009669400000000, 0.0002384300000000, 0.0011251100000000 ] - [ -0.0028437200000000, -0.0013564200000000, 0.0004622000000000 ] - [ 0.0022622000000000, -0.0054286000000000, 0.0014886400000000 ] - [ -0.0006956800000000, -0.0000148900000000, 0.0001126600000000 ] - [ -0.0064998700000000, 0.0027959300000000, -0.0055530300000000 ] - [ -0.0003092200000000, -0.0004876000000000, 0.0001877400000000 ] - [ 0.0003641400000000, -0.0001085200000000, 0.0003505000000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001936500000000, -0.0000827600000000, -0.0005103200000000 ] - [ -0.0000826300000000, -0.0002007000000000, -0.0001792600000000 ] - [ 0.0003584000000000, -0.0002774600000000, -0.0008533500000000 ] - [ -0.0003618800000000, -0.0003322800000000, -0.0008214100000000 ] - [ -0.0002291300000000, -0.0034478700000000, -0.0020932200000000 ] - [ -0.0000954900000000, -0.0003773200000000, 0.0006062400000000 ] - [ -0.0003876600000000, -0.0010287200000000, -0.0003431700000000 ] - [ -0.0000610600000000, -0.0003705800000000, -0.0003022000000000 ] - [ 0.0032888000000000, 0.0039271300000000, 0.0000214100000000 ] - [ -0.0006348300000000, 0.0009942000000000, 0.0008802600000000 ] - [ -0.0001115600000000, 0.0012117800000000, -0.0001794200000000 ] - [ -0.0011760700000000, 0.0012652200000000, 0.0014678900000000 ] - [ 0.0136426300000000, 0.0104160900000000, 0.0156324000000000 ] - [ -0.0000917500000000, -0.0008098500000000, -0.0003658700000000 ] - [ 0.0001178900000000, -0.0003241800000000, -0.0006991000000000 ] - [ 0.0004726800000000, -0.0008782000000000, -0.0004507200000000 ] - [ 0.0006652300000000, 0.0045797400000000, -0.0007111800000000 ] - [ 0.0002237800000000, -0.0040389400000000, -0.0024930800000000 ] - [ 0.0039691700000000, -0.0068755600000000, 0.0022852700000000 ] - [ 0.0004953400000000, -0.0014263600000000, 0.0005252900000000 ] - [ 0.0001742600000000, -0.0006124600000000, -0.0007530600000000 ] - [ 0.0000604800000000, -0.0008120100000000, -0.0005379900000000 ] - [ -0.0002522300000000, -0.0005100000000000, -0.0007453300000000 ] - [ -0.0000014500000000, -0.0000198400000000, -0.0007283900000000 ] - [ -0.0000934000000000, 0.0012192800000000, 0.0006561400000000 ] - [ 0.0007103400000000, -0.0002325800000000, -0.0000929900000000 ] - [ -0.0000604500000000, 0.0005836700000000, -0.0006290400000000 ] - [ 0.0000229000000000, -0.0002018500000000, -0.0000615800000000 ] - [ 0.0005304600000000, 0.0000058700000000, 0.0004102500000000 ] - [ 0.0047254400000000, 0.0047132200000000, -0.0003086900000000 ] - [ -0.0057404000000000, -0.0006439600000000, 0.0046314700000000 ] - [ 0.0023382000000000, -0.0013335700000000, -0.0002565500000000 ] - [ 0.0004639800000000, -0.0003805800000000, -0.0004184500000000 ] - [ -0.0007334700000000, -0.0001584000000000, -0.0002583800000000 ] - [ -0.0002881600000000, 0.0001412400000000, 0.0000732800000000 ] - [ -0.0005629100000000, -0.0093153400000000, -0.0025417800000000 ] - [ -0.0006908000000000, 0.0008419900000000, -0.0016752900000000 ] - [ 0.0020950700000000, 0.0039390300000000, 0.0001769500000000 ] - [ -0.0117204000000000, 0.1774073800000000, 0.0848069700000000 ] - [ -0.0003758100000000, -0.0003903200000000, -0.0010482500000000 ] - [ -0.0020372600000000, -0.0011776800000000, 0.0006191100000000 ] - [ 0.0008581800000000, 0.0009894300000000, 0.0001084100000000 ] - [ -0.0024892000000000, -0.0026341000000000, 0.0007249300000000 ] - [ -0.0016756800000000, -0.0006626500000000, -0.0010799900000000 ] - [ 0.0005677400000000, -0.0004326100000000, -0.0014671100000000 ] - [ 0.0002841100000000, 0.0011235400000000, -0.0021333300000000 ] - [ -0.0000903100000000, -0.0127077700000000, 0.0107910900000000 ] - [ -0.0003027100000000, 0.0002553500000000, -0.0002731200000000 ] - [ -0.0002169600000000, -0.0002445300000000, 0.0002627600000000 ] - [ 0.0005062900000000, 0.0004790700000000, -0.0001819400000000 ] - [ 0.0007235300000000, -0.0004450900000000, 0.0002511300000000 ] - [ 0.0004655500000000, -0.0004654700000000, -0.0007098900000000 ] - [ 0.0005179100000000, 0.0016764200000000, 0.0013340400000000 ] - [ -0.0004122200000000, -0.0003422400000000, -0.0003849700000000 ] - [ 0.0002533800000000, -0.0001051900000000, 0.0001261600000000 ] - [ 0.0062005900000000, 0.0043001100000000, 0.0117578000000000 ] - [ -0.0000406100000000, -0.0001780200000000, 0.0002691900000000 ] - [ 0.0007743400000000, -0.0001806500000000, 0.0001610200000000 ] - [ 0.0000173900000000, 0.0002708100000000, 0.0004751000000000 ] - [ -0.0005408400000000, -0.0006183400000000, 0.0004791200000000 ] - [ 0.0004322100000000, -0.0002791100000000, 0.0011044600000000 ] - [ -0.0002285000000000, -0.0009760100000000, 0.0008091200000000 ] - [ 0.0004615200000000, -0.0008235700000000, -0.0001404000000000 ] - [ 0.0003139800000000, 0.0006379000000000, 0.0002401300000000 ] - [ -0.0006695900000000, -0.0008060400000000, -0.0005971200000000 ] - [ 0.0007091700000000, 0.0009865200000000, -0.0000211400000000 ] - [ 0.0005146700000000, 0.0012099300000000, -0.0002529300000000 ] - [ 0.0002955700000000, -0.0006369700000000, 0.0008478400000000 ] - [ 0.0007455700000000, -0.0000229900000000, 0.0015631100000000 ] - [ -0.0002863500000000, 0.0002832200000000, -0.0003969900000000 ] - [ 0.0006613000000000, 0.0003766600000000, -0.0000141700000000 ] - [ 0.0009590900000000, 0.0010350200000000, -0.0000571300000000 ] - [ 0.0000579800000000, 0.0004859400000000, 0.0001030900000000 ] - [ -0.0001713700000000, -0.0006901400000000, -0.0000698500000000 ] - [ -0.0003693400000000, 0.0002537800000000, 0.0003528500000000 ] - [ 0.0000518700000000, -0.0001731300000000, 0.0001726500000000 ] - [ -0.0107056000000000, -0.2453918400000000, -0.1234456100000000 ] - [ 0.0001285700000000, 0.0003450700000000, 0.0002319800000000 ] - [ -0.0000416300000000, -0.0003679300000000, 0.0004787500000000 ] - [ 0.0001052800000000, 0.0001067800000000, 0.0014977900000000 ] - [ -0.0002813800000000, -0.0003009700000000, 0.0004237800000000 ] - [ 0.0051116200000000, -0.0033901400000000, -0.0013630200000000 ] - [ -0.0001446300000000, -0.0004251600000000, 0.0004039800000000 ] - [ -0.0000447300000000, -0.0003068800000000, -0.0001277100000000 ] - [ 0.0003968900000000, 0.0018808700000000, -0.0003425000000000 ] - [ 0.0000744800000000, -0.0003389000000000, 0.0004702000000000 ] - [ -0.0044301700000000, 0.0095311400000000, -0.0049790700000000 ] - [ 0.0003331200000000, -0.0004134600000000, 0.0000169700000000 ] - [ -0.0052546200000000, 0.0110636300000000, 0.0152151400000000 ] - [ -0.0003538600000000, 0.0001524700000000, 0.0001784900000000 ] - [ 0.0007042600000000, 0.0021582300000000, -0.0084896400000000 ] - [ -0.0011823200000000, -0.0011264400000000, -0.0012914100000000 ] - [ -0.0002321900000000, 0.0001345300000000, -0.0008348600000000 ] - [ -0.0021614900000000, 0.0007352700000000, 0.0013448400000000 ] - [ -0.0001912800000000, 0.0001991800000000, 0.0006511500000000 ] - [ -0.0002145800000000, -0.0007078800000000, -0.0002262900000000 ] - [ 0.0003118600000000, -0.0002699300000000, 0.0006285000000000 ] - [ 0.0009287800000000, 0.0048280000000000, -0.0028856400000000 ] - [ 0.0004880300000000, 0.0001774500000000, 0.0013915300000000 ] - [ -0.0087447200000000, 0.0059252700000000, 0.0085105900000000 ] - [ 0.0008689500000000, -0.0000047600000000, 0.0007778900000000 ] - [ 0.0002506800000000, -0.0007444300000000, -0.0000682200000000 ] - [ 0.0000932700000000, -0.0001336200000000, 0.0007344200000000 ] - [ -0.0003005900000000, 0.0001607200000000, -0.0004698000000000 ] - [ -0.0004211700000000, -0.0010470500000000, 0.0000923000000000 ] - [ -0.0000818900000000, -0.0001884900000000, 0.0007460100000000 ] - [ -0.0001299500000000, 0.0000245900000000, 0.0001060300000000 ] - [ 0.0004615300000000, 0.0053821300000000, -0.0015256300000000 ] - [ 0.0019014600000000, 0.0261262800000000, -0.0039682300000000 ] - [ -0.0002663500000000, 0.0001800000000000, 0.0000631000000000 ] - [ 0.0002612800000000, -0.0001207100000000, 0.0007638400000000 ] - [ -0.0002344100000000, -0.0003834900000000, -0.0002981200000000 ] - [ -0.0001058700000000, -0.0006591600000000, -0.0000300300000000 ] - [ -0.0001207100000000, -0.0001787100000000, -0.0006431700000000 ] - [ 0.0018683400000000, 0.0007828900000000, -0.0019532500000000 ] - [ 0.0026136700000000, 0.0212325000000000, -0.0039874400000000 ] - [ -0.0006084800000000, 0.0004266100000000, 0.0008835000000000 ] - [ 0.0026559500000000, -0.0025999800000000, 0.0027467200000000 ] - [ 0.0003882000000000, -0.0001850800000000, 0.0002643500000000 ] - [ -0.0009444600000000, 0.0018058300000000, 0.0014189800000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000488200000000, -0.0004169800000000, 0.0004483000000000 ] - [ 0.0003031700000000, -0.0005097900000000, 0.0006740100000000 ] - [ 0.0001724700000000, -0.0006821700000000, 0.0002715000000000 ] - [ -0.0003647000000000, -0.0005108500000000, 0.0002326700000000 ] - [ 0.0004600900000000, 0.0041859000000000, 0.0026130000000000 ] - [ -0.0002033900000000, -0.0008188600000000, 0.0004051100000000 ] - [ -0.0001512000000000, 0.0000685500000000, 0.0009248100000000 ] - [ 0.0002170700000000, -0.0001318400000000, 0.0003893100000000 ] - [ -0.0035423200000000, -0.0023219300000000, 0.0001278800000000 ] - [ 0.0005083500000000, -0.0012955400000000, -0.0012060100000000 ] - [ -0.0001809000000000, -0.0000243500000000, 0.0011836800000000 ] - [ 0.0019026300000000, -0.0004256100000000, -0.0008803200000000 ] - [ -0.0132657400000000, -0.0093622800000000, -0.0153823500000000 ] - [ -0.0001296800000000, -0.0008320300000000, 0.0005295500000000 ] - [ 0.0001192200000000, -0.0003087700000000, 0.0000700400000000 ] - [ 0.0002552200000000, 0.0000300000000000, 0.0010433800000000 ] - [ -0.0005191900000000, -0.0041082500000000, 0.0007749400000000 ] - [ -0.0004652800000000, 0.0047051500000000, 0.0031536700000000 ] - [ -0.0041922800000000, 0.0074179200000000, -0.0024255300000000 ] - [ -0.0003586300000000, 0.0011266400000000, -0.0002214700000000 ] - [ 0.0001163400000000, -0.0005779100000000, -0.0002462100000000 ] - [ 0.0001607900000000, -0.0008262200000000, 0.0003822400000000 ] - [ 0.0000277200000000, -0.0002024300000000, 0.0002469300000000 ] - [ -0.0001374400000000, 0.0003242400000000, 0.0004250700000000 ] - [ -0.0004384300000000, -0.0002616700000000, -0.0000740100000000 ] - [ -0.0004137800000000, 0.0014302500000000, -0.0009078500000000 ] - [ 0.0002003900000000, -0.0002790300000000, 0.0009452500000000 ] - [ -0.0002604700000000, -0.0004291600000000, 0.0006967000000000 ] - [ 0.0000033100000000, 0.0009436200000000, -0.0009955100000000 ] - [ -0.0046693800000000, -0.0039893300000000, -0.0002483800000000 ] - [ 0.0050792600000000, 0.0014538800000000, -0.0052694000000000 ] - [ -0.0021032200000000, 0.0029810500000000, 0.0000891200000000 ] - [ 0.0003673300000000, -0.0004242600000000, 0.0010672300000000 ] - [ -0.0011979300000000, 0.0008078100000000, 0.0001048100000000 ] - [ 0.0001011000000000, 0.0001722800000000, 0.0009298000000000 ] - [ 0.0003671400000000, 0.0090456200000000, 0.0035662700000000 ] - [ -0.0009553300000000, 0.0010192200000000, 0.0000429400000000 ] - [ -0.0001591000000000, -0.0033563700000000, 0.0000044900000000 ] - [ 0.0115897100000000, -0.1860484100000000, -0.0918973400000000 ] - [ -0.0004546800000000, -0.0004152300000000, 0.0004128600000000 ] - [ 0.0036791200000000, -0.0006893500000000, 0.0009564500000000 ] - [ 0.0007860800000000, 0.0008725600000000, 0.0015343500000000 ] - [ 0.0008410400000000, 0.0008032900000000, -0.0023718800000000 ] - [ -0.0002573500000000, 0.0000198600000000, 0.0009364500000000 ] - [ 0.0013673800000000, -0.0002164400000000, 0.0016314200000000 ] - [ -0.0001006600000000, -0.0014402200000000, 0.0011455100000000 ] - [ 0.0009094000000000, 0.0135092600000000, -0.0101059700000000 ] - [ 0.0004926400000000, 0.0000582900000000, -0.0007149200000000 ] - [ -0.0003191500000000, -0.0002300500000000, -0.0002640900000000 ] - [ 0.0006926300000000, -0.0005822800000000, -0.0004058600000000 ] - [ -0.0000081500000000, 0.0006221500000000, 0.0008389900000000 ] - [ -0.0002529200000000, -0.0000381500000000, 0.0007367600000000 ] - [ -0.0012307600000000, -0.0018462300000000, -0.0024151800000000 ] - [ 0.0005744800000000, 0.0007945300000000, 0.0001316200000000 ] - [ 0.0002219700000000, -0.0000518800000000, -0.0003195900000000 ] - [ -0.0059576300000000, -0.0030386900000000, -0.0111097200000000 ] - [ -0.0000174300000000, -0.0004021400000000, -0.0004937500000000 ] - [ 0.0004281900000000, 0.0002801300000000, -0.0007540200000000 ] - [ 0.0001789400000000, 0.0002350700000000, -0.0004618800000000 ] - [ -0.0004569700000000, -0.0000110100000000, -0.0005049300000000 ] - [ 0.0002916900000000, 0.0001109500000000, -0.0000125300000000 ] - [ -0.0002817100000000, -0.0007639000000000, 0.0001061000000000 ] - [ -0.0011618200000000, 0.0008806400000000, -0.0002029000000000 ] - [ -0.0001147100000000, -0.0001114300000000, -0.0003773800000000 ] - [ 0.0001608700000000, 0.0013798700000000, 0.0004270000000000 ] - [ 0.0001074800000000, -0.0013634000000000, 0.0017681400000000 ] - [ -0.0003911700000000, -0.0007133200000000, 0.0005333700000000 ] - [ 0.0000775200000000, -0.0006713200000000, 0.0000653400000000 ] - [ -0.0011982200000000, 0.0004066700000000, -0.0026495200000000 ] - [ -0.0004392500000000, -0.0001150700000000, -0.0007013100000000 ] - [ 0.0003405500000000, 0.0002530100000000, 0.0000354300000000 ] - [ -0.0002559600000000, -0.0009871500000000, 0.0004144600000000 ] - [ 0.0004516700000000, 0.0000688000000000, 0.0000467600000000 ] - [ 0.0000415700000000, 0.0011906900000000, -0.0002057000000000 ] - [ -0.0000853300000000, 0.0003448500000000, -0.0002362500000000 ] - [ 0.0001130300000000, -0.0002894900000000, -0.0004317400000000 ] - [ 0.0095076900000000, 0.2553735000000000, 0.1284682300000000 ] - [ 0.0003288500000000, 0.0002528800000000, -0.0003520700000000 ] - [ 0.0000981000000000, -0.0002104800000000, -0.0002585700000000 ] - [ 0.0004323800000000, 0.0003669000000000, -0.0015089100000000 ] - [ -0.0002300800000000, -0.0002548600000000, -0.0005776400000000 ] - [ -0.0058932400000000, 0.0031409900000000, -0.0003309400000000 ] - [ -0.0000171600000000, -0.0000405600000000, -0.0001505500000000 ] - [ -0.0001112500000000, -0.0001030200000000, -0.0007789600000000 ] - [ -0.0009107300000000, -0.0001317600000000, 0.0012752800000000 ] - [ 0.0000582900000000, -0.0001562000000000, -0.0001968700000000 ] - [ 0.0047862000000000, -0.0100678200000000, 0.0048249600000000 ] - [ 0.0002013900000000, -0.0000635200000000, -0.0000222300000000 ] - [ 0.0046700500000000, -0.0105987300000000, -0.0151046900000000 ] - [ -0.0003409700000000, -0.0002097800000000, -0.0005372300000000 ] - [ -0.0006345500000000, -0.0016148300000000, 0.0086635200000000 ] - [ 0.0009949800000000, 0.0006188300000000, 0.0014390100000000 ] - [ 0.0000293800000000, -0.0006457100000000, 0.0008254300000000 ] - [ 0.0020157300000000, -0.0002780800000000, -0.0010975400000000 ] - [ -0.0000065200000000, 0.0003061100000000, -0.0006669700000000 ] - [ -0.0002391200000000, 0.0003327500000000, -0.0008575100000000 ] - [ 0.0003844300000000, 0.0002145700000000, -0.0002757000000000 ] - [ -0.0004596300000000, -0.0046963000000000, 0.0027315000000000 ] - [ 0.0003251300000000, 0.0001885400000000, 0.0003504900000000 ] - [ 0.0085283000000000, -0.0066538200000000, -0.0085999900000000 ] - [ -0.0004200800000000, 0.0003666600000000, 0.0002867400000000 ] - [ 0.0002589900000000, -0.0009945100000000, -0.0008516000000000 ] - [ 0.0000619000000000, -0.0002782000000000, 0.0001679300000000 ] - [ -0.0005142600000000, 0.0002048200000000, -0.0012776100000000 ] - [ -0.0000521000000000, 0.0012066400000000, 0.0000959000000000 ] - [ -0.0001139400000000, 0.0007213500000000, -0.0006206100000000 ] - [ -0.0000023900000000, -0.0005165400000000, -0.0003842100000000 ] - [ -0.0003091700000000, -0.0049905000000000, 0.0024193400000000 ] - [ -0.0020250500000000, -0.0262929400000000, 0.0038887600000000 ] - [ -0.0002103100000000, -0.0003326300000000, 0.0001261000000000 ] - [ 0.0001836600000000, -0.0002614300000000, 0.0003058100000000 ] - [ 0.0004311300000000, -0.0001485100000000, 0.0001691000000000 ] - [ -0.0002704100000000, -0.0006474700000000, -0.0008909000000000 ] - [ -0.0008767800000000, 0.0008136500000000, 0.0006175000000000 ] - [ -0.0013715000000000, 0.0009364500000000, 0.0010500000000000 ] - [ -0.0028806400000000, -0.0196842600000000, 0.0030726500000000 ] - [ -0.0005941400000000, -0.0003285100000000, -0.0003003100000000 ] - [ -0.0039203800000000, 0.0025397300000000, -0.0022031000000000 ] - [ 0.0001183400000000, -0.0003728600000000, -0.0001154400000000 ] - [ 0.0019254100000000, -0.0024325000000000, -0.0013883600000000 ]- atom: 77 displacement: [ -0.0045604505213282, 0.0000000000000000, 0.0088995669019631 ] forces: - [ -0.0001849000000000, -0.0001248700000000, -0.0010748200000000 ] - [ 0.0000045000000000, -0.0003703800000000, -0.0006627700000000 ] - [ 0.0002683900000000, -0.0001815600000000, -0.0014141000000000 ] - [ -0.0003036500000000, -0.0003896800000000, -0.0014112600000000 ] - [ -0.0007001000000000, -0.0026748700000000, -0.0021250500000000 ] - [ 0.0002751200000000, -0.0003247600000000, -0.0008194300000000 ] - [ -0.0006222800000000, -0.0010046600000000, -0.0008822100000000 ] - [ 0.0000279000000000, -0.0002532100000000, -0.0008337300000000 ] - [ 0.0052961000000000, 0.0027002600000000, 0.0001088500000000 ] - [ 0.0005095800000000, -0.0002700400000000, 0.0019319300000000 ] - [ 0.0000882100000000, 0.0009818800000000, -0.0003745000000000 ] - [ 0.0017443900000000, 0.0009308200000000, -0.0009782300000000 ] - [ 0.0061327100000000, 0.0062072700000000, 0.0112536000000000 ] - [ -0.0000879300000000, -0.0007898000000000, -0.0009859900000000 ] - [ 0.0001489200000000, -0.0002419300000000, -0.0011756200000000 ] - [ 0.0006253200000000, -0.0006682000000000, -0.0009537200000000 ] - [ -0.0020926000000000, 0.0017773100000000, -0.0025562100000000 ] - [ 0.0004625600000000, -0.0034775800000000, -0.0032451100000000 ] - [ -0.0008293400000000, -0.0002697600000000, 0.0021574500000000 ] - [ 0.0009711000000000, -0.0008976100000000, 0.0009763200000000 ] - [ 0.0002112900000000, -0.0005720400000000, -0.0014947600000000 ] - [ 0.0000379300000000, -0.0008271800000000, -0.0010562500000000 ] - [ -0.0002609900000000, -0.0004454100000000, -0.0012975800000000 ] - [ -0.0000966900000000, -0.0001043200000000, -0.0013008500000000 ] - [ 0.0002353500000000, 0.0007177800000000, 0.0009103900000000 ] - [ 0.0009677900000000, 0.0002772200000000, 0.0002114000000000 ] - [ -0.0002942200000000, 0.0005338300000000, -0.0011729200000000 ] - [ 0.0001366900000000, -0.0003455800000000, -0.0005576500000000 ] - [ 0.0010460000000000, 0.0008305800000000, 0.0012907000000000 ] - [ -0.0019516000000000, 0.0001561100000000, 0.0046982200000000 ] - [ -0.0002490400000000, 0.0021069900000000, 0.0006285600000000 ] - [ 0.0008794600000000, 0.0003241000000000, 0.0014578300000000 ] - [ 0.0005458500000000, -0.0004026600000000, -0.0011866600000000 ] - [ -0.0013171400000000, 0.0003408300000000, -0.0010967900000000 ] - [ 0.0002501300000000, 0.0002140000000000, -0.0006860100000000 ] - [ 0.0001095100000000, -0.0068935600000000, -0.0036137300000000 ] - [ -0.0006538500000000, 0.0008631400000000, -0.0024898100000000 ] - [ -0.0016605000000000, 0.0021529400000000, 0.0002163300000000 ] - [ -0.0205490500000000, 0.0783545400000000, 0.0690286700000000 ] - [ -0.0002624700000000, -0.0003688400000000, -0.0018734200000000 ] - [ 0.0018392400000000, -0.0007375400000000, 0.0092165400000000 ] - [ 0.0008620600000000, 0.0009615800000000, -0.0007254100000000 ] - [ 0.0001151900000000, -0.0004028600000000, 0.0013148600000000 ] - [ -0.0015502200000000, -0.0005108000000000, -0.0005742900000000 ] - [ 0.0005669500000000, -0.0004496800000000, -0.0019067100000000 ] - [ 0.0004223900000000, 0.0002485300000000, -0.0031624500000000 ] - [ -0.0035682000000000, 0.0033650200000000, 0.0095155200000000 ] - [ 0.0014318300000000, 0.0000968900000000, -0.0010552200000000 ] - [ -0.0003432700000000, -0.0004808300000000, 0.0007354900000000 ] - [ 0.0008026100000000, 0.0002068900000000, -0.0002224200000000 ] - [ 0.0001624700000000, -0.0001843300000000, 0.0002744800000000 ] - [ -0.0025979700000000, -0.0000866200000000, -0.0019413200000000 ] - [ 0.0007992800000000, 0.0011912500000000, 0.0020111800000000 ] - [ -0.0002751500000000, 0.0002071500000000, -0.0012957700000000 ] - [ 0.0001060100000000, 0.0000634900000000, 0.0005081900000000 ] - [ 0.0073630900000000, 0.0096406300000000, 0.0082889400000000 ] - [ -0.0001194400000000, -0.0000118000000000, 0.0006862700000000 ] - [ 0.0008482300000000, -0.0000464300000000, 0.0001273700000000 ] - [ 0.0000034700000000, 0.0002908600000000, 0.0009852400000000 ] - [ -0.0008250200000000, -0.0005381400000000, 0.0009270000000000 ] - [ 0.0007020800000000, -0.0000622500000000, 0.0018097900000000 ] - [ -0.0001698700000000, -0.0009972800000000, 0.0011762700000000 ] - [ 0.0000746600000000, 0.0003535400000000, -0.0020475300000000 ] - [ 0.0003420500000000, 0.0004868400000000, 0.0002667800000000 ] - [ 0.0012714500000000, -0.0009019800000000, 0.0016604300000000 ] - [ -0.0005310600000000, 0.0002287000000000, -0.0003066300000000 ] - [ -0.0005898100000000, 0.0000471700000000, -0.0007056300000000 ] - [ 0.0003750900000000, -0.0006403900000000, 0.0013444300000000 ] - [ 0.0008509400000000, 0.0000023600000000, 0.0014807000000000 ] - [ -0.0002921400000000, 0.0001940400000000, -0.0000981500000000 ] - [ 0.0002017100000000, 0.0001702900000000, 0.0007280800000000 ] - [ 0.0000057700000000, -0.0003026800000000, -0.0013028100000000 ] - [ 0.0003474400000000, 0.0002670200000000, 0.0006709400000000 ] - [ -0.0009653600000000, -0.0003359900000000, 0.0001441200000000 ] - [ -0.0005805300000000, 0.0001933900000000, 0.0007291700000000 ] - [ 0.0000164100000000, -0.0002061300000000, 0.0005932700000000 ] - [ 0.0218065300000000, -0.1061890100000000, -0.1045764400000000 ] - [ -0.0000314600000000, 0.0003998600000000, 0.0005620100000000 ] - [ -0.0001353100000000, -0.0005411500000000, 0.0008694900000000 ] - [ 0.0001518000000000, 0.0000833900000000, 0.0016822900000000 ] - [ -0.0004423000000000, -0.0002771500000000, 0.0006151000000000 ] - [ -0.0103562100000000, -0.0086486500000000, -0.0080844000000000 ] - [ -0.0002535400000000, -0.0002729800000000, 0.0009926500000000 ] - [ -0.0000707400000000, -0.0004799800000000, 0.0002281100000000 ] - [ -0.0000955600000000, 0.0002318600000000, -0.0023478600000000 ] - [ 0.0000889200000000, -0.0003258400000000, 0.0009315900000000 ] - [ 0.0013818800000000, 0.0034415600000000, -0.0051004100000000 ] - [ 0.0000049700000000, -0.0000551000000000, 0.0005165700000000 ] - [ -0.0042988800000000, 0.0144738300000000, 0.0162180700000000 ] - [ -0.0002919300000000, 0.0003007800000000, 0.0006035600000000 ] - [ 0.0010221000000000, -0.0067059900000000, 0.0059228500000000 ] - [ 0.0003726100000000, -0.0010608600000000, -0.0011519400000000 ] - [ -0.0009132100000000, -0.0004543900000000, -0.0008078200000000 ] - [ -0.0027515700000000, 0.0005053700000000, 0.0013109100000000 ] - [ -0.0002090100000000, 0.0001869100000000, 0.0011444700000000 ] - [ 0.0004416800000000, -0.0004028600000000, 0.0000788000000000 ] - [ 0.0003244700000000, -0.0004377000000000, 0.0010426000000000 ] - [ 0.0006454000000000, 0.0026635000000000, -0.0008853600000000 ] - [ 0.0005615100000000, 0.0002204400000000, 0.0018109600000000 ] - [ -0.0070349100000000, 0.0134908100000000, 0.0073828600000000 ] - [ 0.0008381400000000, 0.0001831200000000, -0.0000479800000000 ] - [ 0.0002803100000000, -0.0007191000000000, 0.0003434500000000 ] - [ 0.0000501000000000, 0.0000393800000000, 0.0010696200000000 ] - [ -0.0001986300000000, 0.0001387700000000, -0.0000332800000000 ] - [ -0.0004890500000000, 0.0001888800000000, 0.0012498400000000 ] - [ -0.0000953500000000, -0.0002520800000000, 0.0010238600000000 ] - [ -0.0001766400000000, -0.0001425600000000, 0.0007154100000000 ] - [ 0.0010687700000000, 0.0021349200000000, -0.0018439400000000 ] - [ 0.0035011500000000, -0.0020771800000000, -0.0078825100000000 ] - [ -0.0006653000000000, -0.0001636400000000, 0.0004728400000000 ] - [ 0.0004954800000000, -0.0001768600000000, 0.0012647000000000 ] - [ 0.0005330600000000, -0.0004699500000000, 0.0000967600000000 ] - [ -0.0000103500000000, -0.0006618800000000, 0.0004711900000000 ] - [ -0.0014294700000000, -0.0000280700000000, 0.0006495400000000 ] - [ -0.0012108900000000, -0.0001097700000000, -0.0020613500000000 ] - [ 0.0005448100000000, 0.0021624500000000, -0.0052398300000000 ] - [ -0.0006090700000000, 0.0004840800000000, 0.0011442700000000 ] - [ 0.0026723200000000, -0.0005946300000000, 0.0005074900000000 ] - [ 0.0002527300000000, -0.0002563300000000, 0.0001786200000000 ] - [ -0.0012301900000000, 0.0012828200000000, 0.0015608900000000 ]- atom: 77 displacement: [ 0.0045604505213282, 0.0000000000000000, -0.0088995669019631 ] forces: - [ 0.0000399900000000, -0.0003739400000000, 0.0010110300000000 ] - [ 0.0002138900000000, -0.0003417000000000, 0.0011531700000000 ] - [ 0.0002617200000000, -0.0007777500000000, 0.0008307400000000 ] - [ -0.0004223100000000, -0.0004535600000000, 0.0008200900000000 ] - [ 0.0009224100000000, 0.0034041900000000, 0.0026361700000000 ] - [ -0.0005662400000000, -0.0008651600000000, 0.0018214400000000 ] - [ 0.0000860500000000, 0.0000458600000000, 0.0014630200000000 ] - [ 0.0001261900000000, -0.0002470100000000, 0.0009174100000000 ] - [ -0.0055537600000000, -0.0010772800000000, 0.0000536700000000 ] - [ -0.0006502100000000, -0.0000331200000000, -0.0022527200000000 ] - [ -0.0003796300000000, 0.0002079000000000, 0.0013787800000000 ] - [ -0.0010204600000000, -0.0000923700000000, 0.0015745400000000 ] - [ -0.0062268000000000, -0.0053783400000000, -0.0118080500000000 ] - [ -0.0001336200000000, -0.0008517700000000, 0.0011476200000000 ] - [ 0.0000900500000000, -0.0003900200000000, 0.0005449900000000 ] - [ 0.0001009400000000, -0.0001774700000000, 0.0015481000000000 ] - [ 0.0022458400000000, -0.0012907600000000, 0.0026300500000000 ] - [ -0.0006980300000000, 0.0041342600000000, 0.0039023100000000 ] - [ 0.0006960700000000, 0.0007578700000000, -0.0022200400000000 ] - [ -0.0008324900000000, 0.0005963200000000, -0.0006713000000000 ] - [ 0.0000789700000000, -0.0006180800000000, 0.0004938300000000 ] - [ 0.0001837600000000, -0.0008113200000000, 0.0008984800000000 ] - [ 0.0000363100000000, -0.0002675200000000, 0.0007970700000000 ] - [ -0.0000433000000000, 0.0004078900000000, 0.0009954700000000 ] - [ -0.0007675000000000, 0.0002387300000000, -0.0003275000000000 ] - [ -0.0006747000000000, 0.0009148500000000, -0.0012101700000000 ] - [ 0.0004360600000000, -0.0002313400000000, 0.0014861000000000 ] - [ -0.0003750300000000, -0.0002857000000000, 0.0011906000000000 ] - [ -0.0005122600000000, 0.0001275800000000, -0.0018765500000000 ] - [ 0.0016822900000000, 0.0007106900000000, -0.0052310900000000 ] - [ -0.0004916500000000, -0.0012561100000000, -0.0012001300000000 ] - [ -0.0006656000000000, 0.0013202400000000, -0.0016225000000000 ] - [ 0.0002864500000000, -0.0004029600000000, 0.0018324900000000 ] - [ -0.0006190800000000, 0.0003069300000000, 0.0009421000000000 ] - [ -0.0004363100000000, 0.0000991200000000, 0.0016859100000000 ] - [ -0.0002903000000000, 0.0065632600000000, 0.0046087900000000 ] - [ -0.0009934800000000, 0.0009978900000000, 0.0008576500000000 ] - [ 0.0035820000000000, -0.0015217000000000, -0.0000386600000000 ] - [ 0.0193737800000000, -0.0798849700000000, -0.0701972800000000 ] - [ -0.0005692600000000, -0.0004372900000000, 0.0012343300000000 ] - [ -0.0001982100000000, -0.0011329200000000, -0.0076223700000000 ] - [ 0.0007843500000000, 0.0008996500000000, 0.0023618900000000 ] - [ -0.0017596200000000, -0.0014543800000000, -0.0029594700000000 ] - [ -0.0003862400000000, -0.0001349000000000, 0.0004251200000000 ] - [ 0.0013737900000000, -0.0001977300000000, 0.0020637700000000 ] - [ -0.0002379200000000, -0.0005614400000000, 0.0021708500000000 ] - [ 0.0043890200000000, -0.0025029300000000, -0.0089446800000000 ] - [ -0.0012379600000000, 0.0002176100000000, 0.0000636400000000 ] - [ -0.0001936400000000, 0.0000090700000000, -0.0007356400000000 ] - [ 0.0003970000000000, -0.0003136800000000, -0.0003679600000000 ] - [ 0.0005526900000000, 0.0003544800000000, 0.0008135100000000 ] - [ 0.0028019000000000, -0.0004189200000000, 0.0019656100000000 ] - [ -0.0015127000000000, -0.0013516200000000, -0.0030900900000000 ] - [ 0.0004614300000000, 0.0002424400000000, 0.0010310900000000 ] - [ 0.0003695200000000, -0.0002226700000000, -0.0007020400000000 ] - [ -0.0071241900000000, -0.0084841900000000, -0.0075136600000000 ] - [ 0.0000602400000000, -0.0005675700000000, -0.0009101300000000 ] - [ 0.0003525500000000, 0.0001501000000000, -0.0007192500000000 ] - [ 0.0001951000000000, 0.0002156300000000, -0.0009700200000000 ] - [ -0.0001711000000000, -0.0000919800000000, -0.0009545400000000 ] - [ 0.0000166100000000, -0.0001067300000000, -0.0007207400000000 ] - [ -0.0003405900000000, -0.0007427900000000, -0.0002606900000000 ] - [ -0.0007747300000000, -0.0002982300000000, 0.0016997800000000 ] - [ -0.0001462000000000, 0.0000403900000000, -0.0004006100000000 ] - [ -0.0017695900000000, 0.0014539300000000, -0.0018059400000000 ] - [ 0.0013464700000000, -0.0006006800000000, 0.0020534100000000 ] - [ 0.0007234400000000, 0.0004505200000000, 0.0009799800000000 ] - [ 0.0000000900000000, -0.0006673000000000, -0.0004269200000000 ] - [ -0.0012987600000000, 0.0003821900000000, -0.0025570900000000 ] - [ -0.0004282300000000, -0.0000251600000000, -0.0009951100000000 ] - [ 0.0007968800000000, 0.0004604800000000, -0.0007045300000000 ] - [ 0.0006895200000000, 0.0003558300000000, 0.0016618200000000 ] - [ 0.0001597300000000, 0.0002902300000000, -0.0005196400000000 ] - [ 0.0008371800000000, 0.0008368100000000, -0.0004201800000000 ] - [ 0.0001250400000000, 0.0004045900000000, -0.0006103900000000 ] - [ 0.0001461100000000, -0.0002546000000000, -0.0008528900000000 ] - [ -0.0211690100000000, 0.1086881200000000, 0.1043050800000000 ] - [ 0.0004872300000000, 0.0001988400000000, -0.0006826000000000 ] - [ 0.0001933600000000, -0.0000376400000000, -0.0006477300000000 ] - [ 0.0003851900000000, 0.0003868000000000, -0.0016875100000000 ] - [ -0.0000705500000000, -0.0002807700000000, -0.0007695800000000 ] - [ 0.0095443600000000, 0.0082518600000000, 0.0063212800000000 ] - [ 0.0000920600000000, -0.0001885800000000, -0.0007342900000000 ] - [ -0.0000856700000000, 0.0000684400000000, -0.0011343800000000 ] - [ -0.0004194100000000, 0.0014983400000000, 0.0032659000000000 ] - [ 0.0000428100000000, -0.0001721100000000, -0.0006579000000000 ] - [ -0.0009202200000000, -0.0040481000000000, 0.0049778100000000 ] - [ 0.0005301900000000, -0.0004180600000000, -0.0005199900000000 ] - [ 0.0036919000000000, -0.0138145000000000, -0.0159623000000000 ] - [ -0.0004041900000000, -0.0003556300000000, -0.0009577400000000 ] - [ -0.0009844800000000, 0.0073804600000000, -0.0057871100000000 ] - [ -0.0005713000000000, 0.0005339300000000, 0.0012793700000000 ] - [ 0.0007180100000000, -0.0000526600000000, 0.0007942900000000 ] - [ 0.0026004000000000, -0.0000474800000000, -0.0010599800000000 ] - [ 0.0000109700000000, 0.0003197200000000, -0.0011612600000000 ] - [ -0.0008885400000000, 0.0000221200000000, -0.0011567200000000 ] - [ 0.0003724100000000, 0.0003850300000000, -0.0006919700000000 ] - [ -0.0001635600000000, -0.0024796600000000, 0.0006772100000000 ] - [ 0.0002520500000000, 0.0001470000000000, -0.0000686600000000 ] - [ 0.0067563800000000, -0.0143665200000000, -0.0073840900000000 ] - [ -0.0003901000000000, 0.0001993700000000, 0.0011120000000000 ] - [ 0.0002298400000000, -0.0010198100000000, -0.0012610500000000 ] - [ 0.0001053400000000, -0.0004505400000000, -0.0001656800000000 ] - [ -0.0006154900000000, 0.0002280700000000, -0.0017115600000000 ] - [ 0.0000130400000000, -0.0000275000000000, -0.0010586000000000 ] - [ -0.0000987100000000, 0.0007823900000000, -0.0008965900000000 ] - [ 0.0000449100000000, -0.0003560500000000, -0.0009911600000000 ] - [ -0.0009162800000000, -0.0017270000000000, 0.0027605400000000 ] - [ -0.0035540800000000, 0.0027117900000000, 0.0076833800000000 ] - [ 0.0001871800000000, 0.0000045600000000, -0.0002807900000000 ] - [ -0.0000486400000000, -0.0002061100000000, -0.0001928000000000 ] - [ -0.0003394900000000, -0.0000572200000000, -0.0002275200000000 ] - [ -0.0003655200000000, -0.0006445400000000, -0.0013914700000000 ] - [ 0.0004256800000000, 0.0006560400000000, -0.0006737100000000 ] - [ 0.0017245800000000, 0.0018520600000000, 0.0011553500000000 ] - [ -0.0009209000000000, -0.0008796500000000, 0.0043206300000000 ] - [ -0.0005912300000000, -0.0003828100000000, -0.0005584400000000 ] - [ -0.0038878300000000, 0.0005056600000000, 0.0000537200000000 ] - [ 0.0002574300000000, -0.0003019800000000, -0.0000285500000000 ] - [ 0.0022201600000000, -0.0019055600000000, -0.0015306500000000 ]