# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b356f736-f886-461a-83f0-19b1e579f373/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 ReO2F3 / P2_1/c (14) / materials id 556419](https://mdr.nims.go.jp/datasets/eb200f6e-95ca-479b-b53b-abafcd93b09f) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.700100530000000, 0.000000000000000, -0.034167410000000 ] # a - [ 0.000000000000000, 4.987564839999999, 0.000000000000000 ] # b - [ -2.239373860000000, 0.000000000000000, 12.775687590000000 ] # c points: - symbol: Re # 1 coordinates: [ 0.823872540000000, 0.289365360000000, 0.636495800000000 ] mass: 186.207000 - symbol: Re # 2 coordinates: [ 0.176127460000000, 0.789365360000000, 0.863504200000000 ] mass: 186.207000 - symbol: Re # 3 coordinates: [ 0.823872540000000, 0.210634640000000, 0.136495800000000 ] mass: 186.207000 - symbol: Re # 4 coordinates: [ 0.176127460000000, 0.710634640000000, 0.363504200000000 ] mass: 186.207000 - symbol: O # 5 coordinates: [ 0.665577640000000, 0.569791990000000, 0.595578140000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.334422360000000, 0.430208010000000, 0.404421860000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.756662950000000, 0.415322460000000, 0.030805420000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.665577640000000, 0.930208010000000, 0.095578140000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.756662950000000, 0.084677540000000, 0.530805420000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.334422360000000, 0.069791990000000, 0.904421860000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.243337050000000, 0.915322460000000, 0.469194580000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.243337050000000, 0.584677540000000, 0.969194580000000 ] mass: 15.999400 - symbol: F # 13 coordinates: [ 0.616736490000000, 0.348840840000000, 0.217530070000000 ] mass: 18.998403 - symbol: F # 14 coordinates: [ 0.960064500000000, 0.014596820000000, 0.280719130000000 ] mass: 18.998403 - symbol: F # 15 coordinates: [ 0.616736490000000, 0.151159160000000, 0.717530070000000 ] mass: 18.998403 - symbol: F # 16 coordinates: [ 0.880080970000000, 0.899124780000000, 0.888534580000000 ] mass: 18.998403 - symbol: F # 17 coordinates: [ 0.039935500000000, 0.985403180000000, 0.719280870000000 ] mass: 18.998403 - symbol: F # 18 coordinates: [ 0.383263510000000, 0.651159160000000, 0.782469930000000 ] mass: 18.998403 - symbol: F # 19 coordinates: [ 0.039935500000000, 0.514596820000000, 0.219280870000000 ] mass: 18.998403 - symbol: F # 20 coordinates: [ 0.119919030000000, 0.100875220000000, 0.111465420000000 ] mass: 18.998403 - symbol: F # 21 coordinates: [ 0.960064500000000, 0.485403180000000, 0.780719130000000 ] mass: 18.998403 - symbol: F # 22 coordinates: [ 0.383263510000000, 0.848840840000000, 0.282469930000000 ] mass: 18.998403 - symbol: F # 23 coordinates: [ 0.880080970000000, 0.600875220000000, 0.388534580000000 ] mass: 18.998403 - symbol: F # 24 coordinates: [ 0.119919030000000, 0.399124780000000, 0.611465420000000 ] mass: 18.998403 reciprocal_lattice: # without 2pi - [ 0.175620023403858, 0.000000000000000, 0.030783383433000 ] # a* - [ 0.000000000000000, 0.200498646549926, 0.000000000000000 ] # b* - [ 0.000469679717947, 0.000000000000000, 0.078356000914307 ] # c*unit_cell: lattice: - [ 5.700100530000000, 0.000000000000000, -0.034167410000000 ] # a - [ 0.000000000000000, 4.987564840000000, 0.000000000000000 ] # b - [ -2.239373860000000, 0.000000000000000, 12.775687590000000 ] # c points: - symbol: Re # 1 coordinates: [ 0.823872540000000, 0.289365360000000, 0.636495800000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 2 coordinates: [ 0.176127460000000, 0.789365360000000, 0.863504200000000 ] mass: 186.207000 reduced_to: 2 - symbol: Re # 3 coordinates: [ 0.823872540000000, 0.210634640000000, 0.136495800000000 ] mass: 186.207000 reduced_to: 3 - symbol: Re # 4 coordinates: [ 0.176127460000000, 0.710634640000000, 0.363504200000000 ] mass: 186.207000 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.665577640000000, 0.569791990000000, 0.595578140000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.334422360000000, 0.430208010000000, 0.404421860000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.756662950000000, 0.415322460000000, 0.030805420000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.665577640000000, 0.930208010000000, 0.095578140000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.756662950000000, 0.084677540000000, 0.530805420000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.334422360000000, 0.069791990000000, 0.904421860000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.243337050000000, 0.915322460000000, 0.469194580000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.243337050000000, 0.584677540000000, 0.969194580000000 ] mass: 15.999400 reduced_to: 12 - symbol: F # 13 coordinates: [ 0.616736490000000, 0.348840840000000, 0.217530070000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.960064500000000, 0.014596820000000, 0.280719130000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 15 coordinates: [ 0.616736490000000, 0.151159160000000, 0.717530070000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 16 coordinates: [ 0.880080970000000, 0.899124780000000, 0.888534580000000 ] mass: 18.998403 reduced_to: 16 - symbol: F # 17 coordinates: [ 0.039935500000000, 0.985403180000000, 0.719280870000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.383263510000000, 0.651159160000000, 0.782469930000000 ] mass: 18.998403 reduced_to: 18 - symbol: F # 19 coordinates: [ 0.039935500000000, 0.514596820000000, 0.219280870000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 20 coordinates: [ 0.119919030000000, 0.100875220000000, 0.111465420000000 ] mass: 18.998403 reduced_to: 20 - symbol: F # 21 coordinates: [ 0.960064500000000, 0.485403180000000, 0.780719130000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 22 coordinates: [ 0.383263510000000, 0.848840840000000, 0.282469930000000 ] mass: 18.998403 reduced_to: 22 - symbol: F # 23 coordinates: [ 0.880080970000000, 0.600875220000000, 0.388534580000000 ] mass: 18.998403 reduced_to: 23 - symbol: F # 24 coordinates: [ 0.119919030000000, 0.399124780000000, 0.611465420000000 ] mass: 18.998403 reduced_to: 24supercell: lattice: - [ 11.400201060000001, 0.000000000000000, -0.068334820000000 ] # a - [ 0.000000000000000, 14.962694519999999, 0.000000000000000 ] # b - [ -2.239373860000000, 0.000000000000000, 12.775687590000000 ] # c points: - symbol: Re # 1 coordinates: [ 0.411936270000000, 0.096455120000000, 0.636495800000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 2 coordinates: [ 0.911936270000000, 0.096455120000000, 0.636495800000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 3 coordinates: [ 0.411936270000000, 0.429788453333333, 0.636495800000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 4 coordinates: [ 0.911936270000000, 0.429788453333333, 0.636495800000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 5 coordinates: [ 0.411936270000000, 0.763121786666667, 0.636495800000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 6 coordinates: [ 0.911936270000000, 0.763121786666667, 0.636495800000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 7 coordinates: [ 0.088063730000000, 0.263121786666667, 0.863504200000000 ] mass: 186.207000 reduced_to: 7 - symbol: Re # 8 coordinates: [ 0.588063730000000, 0.263121786666667, 0.863504200000000 ] mass: 186.207000 reduced_to: 7 - symbol: Re # 9 coordinates: [ 0.088063730000000, 0.596455120000000, 0.863504200000000 ] mass: 186.207000 reduced_to: 7 - symbol: Re # 10 coordinates: [ 0.588063730000000, 0.596455120000000, 0.863504200000000 ] mass: 186.207000 reduced_to: 7 - symbol: Re # 11 coordinates: [ 0.088063730000000, 0.929788453333333, 0.863504200000000 ] mass: 186.207000 reduced_to: 7 - symbol: Re # 12 coordinates: [ 0.588063730000000, 0.929788453333333, 0.863504200000000 ] mass: 186.207000 reduced_to: 7 - symbol: Re # 13 coordinates: [ 0.411936270000000, 0.070211546666667, 0.136495800000000 ] mass: 186.207000 reduced_to: 13 - symbol: Re # 14 coordinates: [ 0.911936270000000, 0.070211546666667, 0.136495800000000 ] mass: 186.207000 reduced_to: 13 - symbol: Re # 15 coordinates: [ 0.411936270000000, 0.403544880000000, 0.136495800000000 ] mass: 186.207000 reduced_to: 13 - symbol: Re # 16 coordinates: [ 0.911936270000000, 0.403544880000000, 0.136495800000000 ] mass: 186.207000 reduced_to: 13 - symbol: Re # 17 coordinates: [ 0.411936270000000, 0.736878213333333, 0.136495800000000 ] mass: 186.207000 reduced_to: 13 - symbol: Re # 18 coordinates: [ 0.911936270000000, 0.736878213333333, 0.136495800000000 ] mass: 186.207000 reduced_to: 13 - symbol: Re # 19 coordinates: [ 0.088063730000000, 0.236878213333333, 0.363504200000000 ] mass: 186.207000 reduced_to: 19 - symbol: Re # 20 coordinates: [ 0.588063730000000, 0.236878213333333, 0.363504200000000 ] mass: 186.207000 reduced_to: 19 - symbol: Re # 21 coordinates: [ 0.088063730000000, 0.570211546666667, 0.363504200000000 ] mass: 186.207000 reduced_to: 19 - symbol: Re # 22 coordinates: [ 0.588063730000000, 0.570211546666667, 0.363504200000000 ] mass: 186.207000 reduced_to: 19 - symbol: Re # 23 coordinates: [ 0.088063730000000, 0.903544880000000, 0.363504200000000 ] mass: 186.207000 reduced_to: 19 - symbol: Re # 24 coordinates: [ 0.588063730000000, 0.903544880000000, 0.363504200000000 ] mass: 186.207000 reduced_to: 19 - symbol: O # 25 coordinates: [ 0.332788820000000, 0.189930663333333, 0.595578140000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.832788820000000, 0.189930663333333, 0.595578140000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.332788820000000, 0.523263996666667, 0.595578140000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.832788820000000, 0.523263996666667, 0.595578140000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.332788820000000, 0.856597330000000, 0.595578140000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 30 coordinates: [ 0.832788820000000, 0.856597330000000, 0.595578140000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 31 coordinates: [ 0.167211180000000, 0.143402670000000, 0.404421860000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.667211180000000, 0.143402670000000, 0.404421860000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.167211180000000, 0.476736003333333, 0.404421860000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 34 coordinates: [ 0.667211180000000, 0.476736003333333, 0.404421860000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 35 coordinates: [ 0.167211180000000, 0.810069336666667, 0.404421860000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 36 coordinates: [ 0.667211180000000, 0.810069336666667, 0.404421860000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 37 coordinates: [ 0.378331475000000, 0.138440820000000, 0.030805420000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.878331475000000, 0.138440820000000, 0.030805420000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.378331475000000, 0.471774153333333, 0.030805420000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.878331475000000, 0.471774153333333, 0.030805420000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.378331475000000, 0.805107486666667, 0.030805420000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 42 coordinates: [ 0.878331475000000, 0.805107486666667, 0.030805420000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 43 coordinates: [ 0.332788820000000, 0.310069336666667, 0.095578140000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.832788820000000, 0.310069336666667, 0.095578140000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.332788820000000, 0.643402670000000, 0.095578140000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 46 coordinates: [ 0.832788820000000, 0.643402670000000, 0.095578140000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 47 coordinates: [ 0.332788820000000, 0.976736003333333, 0.095578140000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 48 coordinates: [ 0.832788820000000, 0.976736003333333, 0.095578140000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 49 coordinates: [ 0.378331475000000, 0.028225846666667, 0.530805420000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.878331475000000, 0.028225846666667, 0.530805420000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.378331475000000, 0.361559180000000, 0.530805420000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.878331475000000, 0.361559180000000, 0.530805420000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.378331475000000, 0.694892513333333, 0.530805420000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 54 coordinates: [ 0.878331475000000, 0.694892513333333, 0.530805420000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 55 coordinates: [ 0.167211180000000, 0.023263996666667, 0.904421860000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.667211180000000, 0.023263996666667, 0.904421860000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.167211180000000, 0.356597330000000, 0.904421860000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 58 coordinates: [ 0.667211180000000, 0.356597330000000, 0.904421860000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 59 coordinates: [ 0.167211180000000, 0.689930663333333, 0.904421860000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 60 coordinates: [ 0.667211180000000, 0.689930663333333, 0.904421860000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 61 coordinates: [ 0.121668525000000, 0.305107486666667, 0.469194580000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.621668525000000, 0.305107486666667, 0.469194580000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.121668525000000, 0.638440820000000, 0.469194580000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.621668525000000, 0.638440820000000, 0.469194580000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.121668525000000, 0.971774153333333, 0.469194580000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 66 coordinates: [ 0.621668525000000, 0.971774153333333, 0.469194580000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 67 coordinates: [ 0.121668525000000, 0.194892513333333, 0.969194580000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.621668525000000, 0.194892513333333, 0.969194580000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.121668525000000, 0.528225846666667, 0.969194580000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 70 coordinates: [ 0.621668525000000, 0.528225846666667, 0.969194580000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 71 coordinates: [ 0.121668525000000, 0.861559180000000, 0.969194580000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 72 coordinates: [ 0.621668525000000, 0.861559180000000, 0.969194580000000 ] mass: 15.999400 reduced_to: 67 - symbol: F # 73 coordinates: [ 0.308368245000000, 0.116280280000000, 0.217530070000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 74 coordinates: [ 0.808368245000000, 0.116280280000000, 0.217530070000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 75 coordinates: [ 0.308368245000000, 0.449613613333333, 0.217530070000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 76 coordinates: [ 0.808368245000000, 0.449613613333333, 0.217530070000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 77 coordinates: [ 0.308368245000000, 0.782946946666667, 0.217530070000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 78 coordinates: [ 0.808368245000000, 0.782946946666667, 0.217530070000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 79 coordinates: [ 0.480032250000000, 0.004865606666667, 0.280719130000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 80 coordinates: [ 0.980032250000000, 0.004865606666667, 0.280719130000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 81 coordinates: [ 0.480032250000000, 0.338198940000000, 0.280719130000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 82 coordinates: [ 0.980032250000000, 0.338198940000000, 0.280719130000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 83 coordinates: [ 0.480032250000000, 0.671532273333333, 0.280719130000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 84 coordinates: [ 0.980032250000000, 0.671532273333333, 0.280719130000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 85 coordinates: [ 0.308368245000000, 0.050386386666667, 0.717530070000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 86 coordinates: [ 0.808368245000000, 0.050386386666667, 0.717530070000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 87 coordinates: [ 0.308368245000000, 0.383719720000000, 0.717530070000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 88 coordinates: [ 0.808368245000000, 0.383719720000000, 0.717530070000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 89 coordinates: [ 0.308368245000000, 0.717053053333333, 0.717530070000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 90 coordinates: [ 0.808368245000000, 0.717053053333333, 0.717530070000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 91 coordinates: [ 0.440040485000000, 0.299708260000000, 0.888534580000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 92 coordinates: [ 0.940040485000000, 0.299708260000000, 0.888534580000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 93 coordinates: [ 0.440040485000000, 0.633041593333333, 0.888534580000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 94 coordinates: [ 0.940040485000000, 0.633041593333333, 0.888534580000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 95 coordinates: [ 0.440040485000000, 0.966374926666667, 0.888534580000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 96 coordinates: [ 0.940040485000000, 0.966374926666667, 0.888534580000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 97 coordinates: [ 0.019967750000000, 0.328467726666667, 0.719280870000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 98 coordinates: [ 0.519967750000000, 0.328467726666667, 0.719280870000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 99 coordinates: [ 0.019967750000000, 0.661801060000000, 0.719280870000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 100 coordinates: [ 0.519967750000000, 0.661801060000000, 0.719280870000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 101 coordinates: [ 0.019967750000000, 0.995134393333333, 0.719280870000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 102 coordinates: [ 0.519967750000000, 0.995134393333333, 0.719280870000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 103 coordinates: [ 0.191631755000000, 0.217053053333333, 0.782469930000000 ] mass: 18.998403 reduced_to: 103 - symbol: F # 104 coordinates: [ 0.691631755000000, 0.217053053333333, 0.782469930000000 ] mass: 18.998403 reduced_to: 103 - symbol: F # 105 coordinates: [ 0.191631755000000, 0.550386386666667, 0.782469930000000 ] mass: 18.998403 reduced_to: 103 - symbol: F # 106 coordinates: [ 0.691631755000000, 0.550386386666667, 0.782469930000000 ] mass: 18.998403 reduced_to: 103 - symbol: F # 107 coordinates: [ 0.191631755000000, 0.883719720000000, 0.782469930000000 ] mass: 18.998403 reduced_to: 103 - symbol: F # 108 coordinates: [ 0.691631755000000, 0.883719720000000, 0.782469930000000 ] mass: 18.998403 reduced_to: 103 - symbol: F # 109 coordinates: [ 0.019967750000000, 0.171532273333333, 0.219280870000000 ] mass: 18.998403 reduced_to: 109 - symbol: F # 110 coordinates: [ 0.519967750000000, 0.171532273333333, 0.219280870000000 ] mass: 18.998403 reduced_to: 109 - symbol: F # 111 coordinates: [ 0.019967750000000, 0.504865606666667, 0.219280870000000 ] mass: 18.998403 reduced_to: 109 - symbol: F # 112 coordinates: [ 0.519967750000000, 0.504865606666667, 0.219280870000000 ] mass: 18.998403 reduced_to: 109 - symbol: F # 113 coordinates: [ 0.019967750000000, 0.838198940000000, 0.219280870000000 ] mass: 18.998403 reduced_to: 109 - symbol: F # 114 coordinates: [ 0.519967750000000, 0.838198940000000, 0.219280870000000 ] mass: 18.998403 reduced_to: 109 - symbol: F # 115 coordinates: [ 0.059959515000000, 0.033625073333333, 0.111465420000000 ] mass: 18.998403 reduced_to: 115 - symbol: F # 116 coordinates: [ 0.559959515000000, 0.033625073333333, 0.111465420000000 ] mass: 18.998403 reduced_to: 115 - symbol: F # 117 coordinates: [ 0.059959515000000, 0.366958406666667, 0.111465420000000 ] mass: 18.998403 reduced_to: 115 - symbol: F # 118 coordinates: [ 0.559959515000000, 0.366958406666667, 0.111465420000000 ] mass: 18.998403 reduced_to: 115 - symbol: F # 119 coordinates: [ 0.059959515000000, 0.700291740000000, 0.111465420000000 ] mass: 18.998403 reduced_to: 115 - symbol: F # 120 coordinates: [ 0.559959515000000, 0.700291740000000, 0.111465420000000 ] mass: 18.998403 reduced_to: 115 - symbol: F # 121 coordinates: [ 0.480032250000000, 0.161801060000000, 0.780719130000000 ] mass: 18.998403 reduced_to: 121 - symbol: F # 122 coordinates: [ 0.980032250000000, 0.161801060000000, 0.780719130000000 ] mass: 18.998403 reduced_to: 121 - symbol: F # 123 coordinates: [ 0.480032250000000, 0.495134393333333, 0.780719130000000 ] mass: 18.998403 reduced_to: 121 - symbol: F # 124 coordinates: [ 0.980032250000000, 0.495134393333333, 0.780719130000000 ] mass: 18.998403 reduced_to: 121 - symbol: F # 125 coordinates: [ 0.480032250000000, 0.828467726666667, 0.780719130000000 ] mass: 18.998403 reduced_to: 121 - symbol: F # 126 coordinates: [ 0.980032250000000, 0.828467726666667, 0.780719130000000 ] mass: 18.998403 reduced_to: 121 - symbol: F # 127 coordinates: [ 0.191631755000000, 0.282946946666667, 0.282469930000000 ] mass: 18.998403 reduced_to: 127 - symbol: F # 128 coordinates: [ 0.691631755000000, 0.282946946666667, 0.282469930000000 ] mass: 18.998403 reduced_to: 127 - symbol: F # 129 coordinates: [ 0.191631755000000, 0.616280280000000, 0.282469930000000 ] mass: 18.998403 reduced_to: 127 - symbol: F # 130 coordinates: [ 0.691631755000000, 0.616280280000000, 0.282469930000000 ] mass: 18.998403 reduced_to: 127 - symbol: F # 131 coordinates: [ 0.191631755000000, 0.949613613333333, 0.282469930000000 ] mass: 18.998403 reduced_to: 127 - symbol: F # 132 coordinates: [ 0.691631755000000, 0.949613613333333, 0.282469930000000 ] mass: 18.998403 reduced_to: 127 - symbol: F # 133 coordinates: [ 0.440040485000000, 0.200291740000000, 0.388534580000000 ] mass: 18.998403 reduced_to: 133 - symbol: F # 134 coordinates: [ 0.940040485000000, 0.200291740000000, 0.388534580000000 ] mass: 18.998403 reduced_to: 133 - symbol: F # 135 coordinates: [ 0.440040485000000, 0.533625073333333, 0.388534580000000 ] mass: 18.998403 reduced_to: 133 - symbol: F # 136 coordinates: [ 0.940040485000000, 0.533625073333333, 0.388534580000000 ] mass: 18.998403 reduced_to: 133 - symbol: F # 137 coordinates: [ 0.440040485000000, 0.866958406666667, 0.388534580000000 ] mass: 18.998403 reduced_to: 133 - symbol: F # 138 coordinates: [ 0.940040485000000, 0.866958406666667, 0.388534580000000 ] mass: 18.998403 reduced_to: 133 - symbol: F # 139 coordinates: [ 0.059959515000000, 0.133041593333333, 0.611465420000000 ] mass: 18.998403 reduced_to: 139 - symbol: F # 140 coordinates: [ 0.559959515000000, 0.133041593333333, 0.611465420000000 ] mass: 18.998403 reduced_to: 139 - symbol: F # 141 coordinates: [ 0.059959515000000, 0.466374926666667, 0.611465420000000 ] mass: 18.998403 reduced_to: 139 - symbol: F # 142 coordinates: [ 0.559959515000000, 0.466374926666667, 0.611465420000000 ] mass: 18.998403 reduced_to: 139 - symbol: F # 143 coordinates: [ 0.059959515000000, 0.799708260000000, 0.611465420000000 ] mass: 18.998403 reduced_to: 139 - symbol: F # 144 coordinates: [ 0.559959515000000, 0.799708260000000, 0.611465420000000 ] mass: 18.998403 reduced_to: 139born_effective_charge:- # 1 (Re) - [ 3.980470940000000, 0.046883320000000, 0.023852120000000 ] - [ -0.056204460000000, 4.959265440000000, 0.285166630000000 ] - [ 0.012161330000000, -0.182479890000000, 4.184221510000000 ]- # 2 (Re) - [ 3.980470940000001, -0.046883320000000, 0.023852120000000 ] - [ 0.056204460000000, 4.959265440000000, -0.285166630000000 ] - [ 0.012161330000000, 0.182479890000000, 4.184221510000000 ]- # 3 (Re) - [ 3.980470940000001, -0.046883320000000, 0.023852120000000 ] - [ 0.056204460000000, 4.959265440000000, -0.285166630000000 ] - [ 0.012161330000000, 0.182479890000000, 4.184221510000000 ]- # 4 (Re) - [ 3.980470940000001, 0.046883320000000, 0.023852120000000 ] - [ -0.056204460000000, 4.959265440000000, 0.285166630000000 ] - [ 0.012161330000000, -0.182479890000000, 4.184221510000000 ]- # 5 (O) - [ -0.627679420000000, 0.437890400000000, -0.107051910000000 ] - [ 0.461427870000000, -1.333734240000000, 0.239533440000000 ] - [ -0.175382400000000, 0.300579520000000, -0.347136790000000 ]- # 6 (O) - [ -0.627679420000000, 0.437890400000000, -0.107051910000000 ] - [ 0.461427870000000, -1.333734240000000, 0.239533440000000 ] - [ -0.175382400000000, 0.300579520000000, -0.347136790000000 ]- # 7 (O) - [ -0.332013910000000, 0.071070720000000, 0.000676480000000 ] - [ 0.038938150000000, -0.969435090000000, 0.657837360000000 ] - [ 0.025849110000000, 0.588914460000000, -1.019738270000000 ]- # 8 (O) - [ -0.627679420000000, -0.437890400000000, -0.107051910000000 ] - [ -0.461427870000000, -1.333734240000000, -0.239533440000000 ] - [ -0.175382400000000, -0.300579520000000, -0.347136790000000 ]- # 9 (O) - [ -0.332013910000000, -0.071070720000000, 0.000676480000000 ] - [ -0.038938150000000, -0.969435090000000, -0.657837360000000 ] - [ 0.025849110000000, -0.588914460000000, -1.019738270000000 ]- # 10 (O) - [ -0.627679420000000, -0.437890400000000, -0.107051910000000 ] - [ -0.461427870000000, -1.333734240000000, -0.239533440000000 ] - [ -0.175382400000000, -0.300579520000000, -0.347136790000000 ]- # 11 (O) - [ -0.332013910000000, -0.071070720000000, 0.000676480000000 ] - [ -0.038938150000000, -0.969435090000000, -0.657837360000000 ] - [ 0.025849110000000, -0.588914460000000, -1.019738270000000 ]- # 12 (O) - [ -0.332013910000000, 0.071070720000000, 0.000676480000000 ] - [ 0.038938150000000, -0.969435090000000, 0.657837360000000 ] - [ 0.025849110000000, 0.588914460000000, -1.019738270000000 ]- # 13 (F) - [ -1.002205100000000, 0.319477580000000, 0.468560240000000 ] - [ 0.362553570000000, -0.525101830000000, -0.307159900000000 ] - [ 0.419597740000000, -0.278917000000000, -0.718421250000000 ]- # 14 (F) - [ -0.728171300000000, 0.524261380000000, -0.552714320000000 ] - [ 0.653686760000000, -1.690032250000000, 1.176655510000000 ] - [ -0.550874690000000, 0.975599390000000, -1.613133550000000 ]- # 15 (F) - [ -1.002205100000000, -0.319477580000000, 0.468560240000000 ] - [ -0.362553570000000, -0.525101830000000, 0.307159900000000 ] - [ 0.419597740000000, 0.278917000000000, -0.718421250000000 ]- # 16 (F) - [ -1.290401220000000, 0.312385530000000, 0.166677400000000 ] - [ 0.347574910000000, -0.440962040000000, -0.053260870000000 ] - [ 0.268648900000000, -0.116426430000000, -0.485791630000000 ]- # 17 (F) - [ -0.728171300000000, 0.524261380000000, -0.552714320000000 ] - [ 0.653686760000000, -1.690032250000000, 1.176655510000000 ] - [ -0.550874690000000, 0.975599390000000, -1.613133550000000 ]- # 18 (F) - [ -1.002205100000000, 0.319477580000000, 0.468560240000000 ] - [ 0.362553570000000, -0.525101830000000, -0.307159900000000 ] - [ 0.419597740000000, -0.278917000000000, -0.718421250000000 ]- # 19 (F) - [ -0.728171300000000, -0.524261380000000, -0.552714320000000 ] - [ -0.653686760000000, -1.690032250000000, -1.176655510000000 ] - [ -0.550874690000000, -0.975599390000000, -1.613133550000000 ]- # 20 (F) - [ -1.290401220000000, 0.312385530000000, 0.166677400000000 ] - [ 0.347574910000000, -0.440962040000000, -0.053260870000000 ] - [ 0.268648900000000, -0.116426430000000, -0.485791630000000 ]- # 21 (F) - [ -0.728171300000000, -0.524261380000000, -0.552714320000000 ] - [ -0.653686760000000, -1.690032250000000, -1.176655510000000 ] - [ -0.550874690000000, -0.975599390000000, -1.613133550000000 ]- # 22 (F) - [ -1.002205100000000, -0.319477580000000, 0.468560240000000 ] - [ -0.362553570000000, -0.525101830000000, 0.307159900000000 ] - [ 0.419597740000000, 0.278917000000000, -0.718421250000000 ]- # 23 (F) - [ -1.290401220000000, -0.312385530000000, 0.166677400000000 ] - [ -0.347574910000000, -0.440962040000000, 0.053260870000000 ] - [ 0.268648900000000, 0.116426430000000, -0.485791630000000 ]- # 24 (F) - [ -1.290401220000000, -0.312385530000000, 0.166677400000000 ] - [ -0.347574910000000, -0.440962040000000, 0.053260870000000 ] - [ 0.268648900000000, 0.116426430000000, -0.485791630000000 ]dielectric_constant: - [ 2.410681270000000, 0.000000000000000, 0.074558150000000 ] - [ 0.000000000000000, 2.871292860000000, 0.000000000000000 ] - [ 0.074554160000000, 0.000000000000000, 2.582585450000000 ]displacements:- atom: 1 displacement: [ 0.0099998203540672, 0.0000000000000000, -0.0000599406905484 ] forces: - [ -0.6300575100000000, 0.0581623500000000, -0.0238380600000000 ] - [ 0.0227781800000000, 0.0002741300000000, -0.0027440900000000 ] - [ -0.0072510800000000, -0.0008829800000000, -0.0019807800000000 ] - [ 0.0019749900000000, -0.0017307200000000, -0.0005488000000000 ] - [ -0.0072777700000000, -0.0011430200000000, -0.0041434500000000 ] - [ 0.0019840900000000, -0.0000108500000000, -0.0000144800000000 ] - [ 0.0105232300000000, -0.0053646600000000, -0.0029641200000000 ] - [ -0.0066715600000000, 0.0095256100000000, 0.0115052600000000 ] - [ 0.0014512500000000, -0.0008361800000000, 0.0009361700000000 ] - [ 0.0010313000000000, -0.0012847900000000, 0.0001416300000000 ] - [ 0.0105425500000000, 0.0033801000000000, -0.0028445400000000 ] - [ -0.0065797400000000, -0.0198135200000000, 0.0275333300000000 ] - [ -0.0047947500000000, 0.0008356600000000, -0.0034998100000000 ] - [ 0.0021518000000000, 0.0013181900000000, 0.0006621900000000 ] - [ -0.0031216600000000, 0.0019100200000000, -0.0021474400000000 ] - [ 0.0005657900000000, 0.0000665000000000, 0.0001728900000000 ] - [ -0.0032799500000000, -0.0000996800000000, -0.0011837300000000 ] - [ 0.0006099400000000, 0.0015294600000000, -0.0002515500000000 ] - [ 0.0046288500000000, -0.0025785000000000, 0.0063785800000000 ] - [ 0.0027629400000000, 0.0059499400000000, -0.0087575500000000 ] - [ 0.0012938000000000, 0.0007109600000000, 0.0013664200000000 ] - [ 0.0012431700000000, 0.0009846200000000, 0.0010036000000000 ] - [ 0.0030937500000000, 0.0043978500000000, 0.0056912900000000 ] - [ 0.0006267000000000, -0.0034552000000000, -0.0041458800000000 ] - [ 0.1544728400000000, -0.1991630400000000, 0.0876106000000000 ] - [ -0.0036494500000000, 0.0014664900000000, 0.0010063500000000 ] - [ -0.0000198900000000, -0.0008896600000000, 0.0013757300000000 ] - [ -0.0005527000000000, -0.0003190900000000, 0.0014819200000000 ] - [ 0.0016420200000000, -0.0027431700000000, 0.0019597500000000 ] - [ -0.0010030100000000, -0.0000988400000000, 0.0012436400000000 ] - [ -0.0008531400000000, 0.0028268800000000, -0.0026277400000000 ] - [ 0.0002064700000000, -0.0013535000000000, 0.0000972400000000 ] - [ 0.0002541400000000, 0.0008623700000000, -0.0015563900000000 ] - [ 0.0002347700000000, 0.0004118400000000, -0.0014112500000000 ] - [ 0.0007439200000000, -0.0004097300000000, -0.0011444100000000 ] - [ -0.0004129100000000, 0.0018842800000000, -0.0017706600000000 ] - [ 0.0017536400000000, -0.0007305400000000, 0.0011077800000000 ] - [ 0.0011087900000000, -0.0001214800000000, -0.0001186300000000 ] - [ 0.0014616500000000, -0.0005476700000000, 0.0003428900000000 ] - [ 0.0013245300000000, -0.0000503600000000, 0.0000014500000000 ] - [ 0.0017042700000000, -0.0003110500000000, 0.0001934000000000 ] - [ 0.0011176300000000, -0.0002721500000000, -0.0000185500000000 ] - [ 0.0001032700000000, 0.0008435000000000, 0.0016533800000000 ] - [ -0.0006734400000000, 0.0003618500000000, 0.0012454900000000 ] - [ -0.0000335000000000, 0.0009622000000000, 0.0014796500000000 ] - [ -0.0004973500000000, 0.0003751100000000, 0.0014263500000000 ] - [ 0.0002009200000000, 0.0010015900000000, 0.0016327600000000 ] - [ -0.0009126000000000, 0.0000198100000000, 0.0011936000000000 ] - [ 0.0439524900000000, 0.0173141100000000, 0.0398946600000000 ] - [ -0.0000116600000000, -0.0000992200000000, 0.0000782700000000 ] - [ 0.0021157800000000, 0.0003026100000000, 0.0004714800000000 ] - [ 0.0010500700000000, 0.0003185700000000, 0.0000788100000000 ] - [ 0.0015044100000000, 0.0003474800000000, 0.0000297600000000 ] - [ 0.0012787700000000, 0.0001234400000000, 0.0000567800000000 ] - [ -0.0016144300000000, -0.0025460700000000, -0.0011011100000000 ] - [ 0.0003994000000000, 0.0013350700000000, -0.0038926200000000 ] - [ 0.0003259500000000, 0.0005114400000000, -0.0009001600000000 ] - [ 0.0005632800000000, -0.0020845300000000, -0.0022326300000000 ] - [ 0.0002844800000000, -0.0008046700000000, -0.0014738500000000 ] - [ 0.0003103500000000, -0.0001401700000000, -0.0012874600000000 ] - [ -0.0015629200000000, -0.0003235900000000, -0.0007536300000000 ] - [ -0.0019879100000000, -0.0004393400000000, 0.0015329500000000 ] - [ -0.0014480100000000, -0.0004228500000000, -0.0002267900000000 ] - [ -0.0013863700000000, -0.0002847400000000, -0.0002249900000000 ] - [ -0.0023204600000000, -0.0024389200000000, -0.0031318800000000 ] - [ -0.0018925200000000, 0.0024028500000000, 0.0033433900000000 ] - [ -0.0018297800000000, 0.0002060000000000, 0.0004972600000000 ] - [ -0.0010506000000000, 0.0003199400000000, -0.0009857600000000 ] - [ -0.0014227500000000, 0.0003584200000000, -0.0001467000000000 ] - [ -0.0013758100000000, 0.0001521900000000, -0.0000918100000000 ] - [ -0.0016531900000000, -0.0007604300000000, 0.0010659300000000 ] - [ 0.0001565700000000, 0.0043851500000000, -0.0039251000000000 ] - [ 0.0009863200000000, -0.0000194900000000, -0.0004113800000000 ] - [ -0.0002626000000000, 0.0001939600000000, -0.0002340100000000 ] - [ 0.0007496100000000, -0.0000755200000000, -0.0005048900000000 ] - [ 0.0000294000000000, 0.0002710000000000, -0.0002852500000000 ] - [ 0.0008548300000000, -0.0000308000000000, -0.0005512600000000 ] - [ -0.0000474300000000, 0.0001254300000000, -0.0003179800000000 ] - [ 0.0009038200000000, -0.0008827200000000, 0.0016920600000000 ] - [ -0.0005719300000000, 0.0003710700000000, -0.0006994800000000 ] - [ 0.0011362400000000, -0.0019171900000000, 0.0020945600000000 ] - [ -0.0008408300000000, 0.0011911200000000, -0.0011809800000000 ] - [ 0.0002827500000000, -0.0001879100000000, 0.0004232200000000 ] - [ 0.0000061300000000, -0.0002538900000000, 0.0001916600000000 ] - [ 0.1477347300000000, 0.0597513500000000, -0.0893043500000000 ] - [ -0.0056839300000000, -0.0019116700000000, 0.0023596500000000 ] - [ 0.0019866400000000, 0.0008686700000000, -0.0009257000000000 ] - [ -0.0006012300000000, -0.0003765000000000, -0.0000289800000000 ] - [ 0.0007255200000000, 0.0000881300000000, -0.0002886700000000 ] - [ -0.0001297500000000, -0.0002946400000000, -0.0001466500000000 ] - [ 0.0030384800000000, -0.0019994500000000, -0.0006154100000000 ] - [ -0.0024527800000000, 0.0001015000000000, 0.0001374000000000 ] - [ 0.0001123000000000, -0.0004183300000000, 0.0001671800000000 ] - [ -0.0002223600000000, -0.0003529400000000, 0.0002011400000000 ] - [ 0.0075872700000000, -0.0021133000000000, -0.0025155900000000 ] - [ -0.0024263800000000, 0.0000583900000000, 0.0004280800000000 ] - [ -0.0014918700000000, 0.0017682700000000, -0.0015018500000000 ] - [ 0.0023673000000000, -0.0026941000000000, 0.0009278500000000 ] - [ -0.0003774100000000, 0.0002914600000000, -0.0005370500000000 ] - [ 0.0004038900000000, -0.0001058800000000, 0.0003996300000000 ] - [ -0.0035213800000000, 0.0013569700000000, -0.0011745100000000 ] - [ 0.0199869400000000, -0.0030543400000000, -0.0043171400000000 ] - [ -0.0057222800000000, 0.0028714800000000, 0.0037971900000000 ] - [ 0.0026097500000000, -0.0035241200000000, -0.0045613500000000 ] - [ -0.0003877200000000, -0.0000818600000000, 0.0003931800000000 ] - [ -0.0004974700000000, -0.0000752000000000, 0.0005635400000000 ] - [ -0.0028645400000000, -0.0001917200000000, 0.0021883200000000 ] - [ -0.0011213700000000, 0.0013319100000000, -0.0014008400000000 ] - [ -0.0011192700000000, -0.0013835600000000, -0.0020578600000000 ] - [ 0.0007365600000000, 0.0009232500000000, 0.0014658200000000 ] - [ -0.0003114200000000, -0.0003365300000000, -0.0006130400000000 ] - [ -0.0001044000000000, -0.0004044600000000, -0.0003581900000000 ] - [ -0.0009803300000000, -0.0014435300000000, -0.0018627800000000 ] - [ 0.0006451400000000, 0.0009443900000000, 0.0011655800000000 ] - [ -0.0007834100000000, 0.0006223800000000, -0.0000983600000000 ] - [ 0.0010187200000000, 0.0001952100000000, -0.0001261600000000 ] - [ -0.0004514300000000, 0.0006567400000000, -0.0001728400000000 ] - [ 0.0005905500000000, 0.0001149100000000, -0.0001295200000000 ] - [ -0.0002848500000000, 0.0004549300000000, -0.0001771000000000 ] - [ 0.0004231400000000, 0.0005571900000000, -0.0001457600000000 ] - [ 0.0188310200000000, 0.0053934700000000, 0.0126271900000000 ] - [ -0.0019362200000000, -0.0004825200000000, -0.0005006400000000 ] - [ 0.0006565100000000, 0.0004935900000000, 0.0009525600000000 ] - [ -0.0000114200000000, 0.0003641500000000, 0.0002883500000000 ] - [ 0.0027355600000000, 0.0047765600000000, 0.0022848200000000 ] - [ -0.0012897000000000, -0.0013221600000000, -0.0009586300000000 ] - [ 0.0005821700000000, 0.0006530300000000, -0.0005854700000000 ] - [ -0.0016808200000000, -0.0007350500000000, 0.0017248100000000 ] - [ -0.0002287600000000, 0.0001002900000000, 0.0002439200000000 ] - [ -0.0004913600000000, 0.0000430600000000, 0.0004328700000000 ] - [ 0.0001645200000000, 0.0003763200000000, -0.0002512400000000 ] - [ -0.0011105900000000, -0.0002379600000000, 0.0010237400000000 ] - [ 0.0004495500000000, -0.0001959100000000, 0.0015312600000000 ] - [ -0.0015397200000000, 0.0001713100000000, 0.0001521400000000 ] - [ 0.0001447800000000, 0.0004882200000000, 0.0000235300000000 ] - [ -0.0001763000000000, 0.0004161100000000, 0.0001384500000000 ] - [ 0.0014745200000000, 0.0008397800000000, -0.0000067800000000 ] - [ -0.0014006600000000, -0.0000120800000000, 0.0002338300000000 ] - [ -0.0090356700000000, -0.0021295000000000, 0.0008986600000000 ] - [ 0.2424107800000000, 0.0677013700000000, -0.0406375800000000 ] - [ -0.0005825700000000, -0.0003923400000000, -0.0001269700000000 ] - [ 0.0011206500000000, -0.0005174400000000, -0.0000154700000000 ] - [ -0.0011322400000000, -0.0010739200000000, -0.0000479200000000 ] - [ 0.0020540400000000, 0.0007179200000000, -0.0001827500000000 ]- atom: 1 displacement: [ -0.0099998203540672, 0.0000000000000000, 0.0000599406905484 ] forces: - [ 0.6202551100000000, -0.0681614400000000, 0.0194165400000000 ] - [ -0.0252407700000000, -0.0020067300000000, 0.0008427100000000 ] - [ 0.0047196700000000, -0.0008750400000000, 0.0000669200000000 ] - [ -0.0045092700000000, 0.0000308500000000, -0.0013420900000000 ] - [ 0.0047177900000000, -0.0005529900000000, 0.0021864300000000 ] - [ -0.0045003600000000, -0.0017460900000000, -0.0019083700000000 ] - [ -0.0079818700000000, 0.0036469200000000, 0.0048932900000000 ] - [ 0.0091135500000000, -0.0111641400000000, -0.0095617600000000 ] - [ 0.0011019500000000, -0.0008707600000000, 0.0009903300000000 ] - [ 0.0014825800000000, -0.0004367400000000, 0.0017649200000000 ] - [ -0.0079672600000000, -0.0051379100000000, 0.0047312700000000 ] - [ 0.0090162900000000, 0.0180328300000000, -0.0255343700000000 ] - [ 0.0022556800000000, 0.0008830600000000, 0.0016134700000000 ] - [ -0.0046771500000000, 0.0003943600000000, -0.0025311300000000 ] - [ 0.0005877100000000, -0.0001899100000000, 0.0002364100000000 ] - [ -0.0031120700000000, 0.0016578700000000, -0.0020904200000000 ] - [ 0.0007473200000000, 0.0018481100000000, -0.0007481800000000 ] - [ -0.0031627400000000, 0.0002039500000000, -0.0016923500000000 ] - [ -0.0020807400000000, 0.0043276900000000, -0.0045055500000000 ] - [ -0.0002947300000000, -0.0041966300000000, 0.0106557400000000 ] - [ 0.0012478900000000, 0.0010256500000000, 0.0005405300000000 ] - [ 0.0012808400000000, 0.0007511500000000, 0.0008880500000000 ] - [ -0.0005279400000000, -0.0026860700000000, -0.0037898500000000 ] - [ 0.0018800600000000, 0.0051691500000000, 0.0060695700000000 ] - [ -0.1556352100000000, 0.2041753100000000, -0.0869855400000000 ] - [ 0.0031012800000000, -0.0026948000000000, 0.0019192200000000 ] - [ -0.0004950000000000, -0.0004126400000000, 0.0015893400000000 ] - [ 0.0000959600000000, -0.0009990900000000, 0.0014846200000000 ] - [ -0.0021631300000000, 0.0013978100000000, 0.0009777700000000 ] - [ 0.0005069700000000, -0.0012495900000000, 0.0016919700000000 ] - [ 0.0013598400000000, -0.0014952700000000, -0.0002949800000000 ] - [ 0.0003198100000000, 0.0026518800000000, -0.0030014500000000 ] - [ 0.0002051800000000, 0.0004710100000000, -0.0013945900000000 ] - [ 0.0002822800000000, 0.0008758200000000, -0.0015358400000000 ] - [ -0.0002345900000000, 0.0016381400000000, -0.0017765000000000 ] - [ 0.0009302200000000, -0.0005993300000000, -0.0011711900000000 ] - [ 0.0010646200000000, 0.0000676600000000, -0.0007461100000000 ] - [ 0.0017426500000000, -0.0005453200000000, 0.0004944700000000 ] - [ 0.0013136700000000, -0.0000532200000000, 0.0000159600000000 ] - [ 0.0014885900000000, -0.0005672900000000, 0.0003761100000000 ] - [ 0.0010927000000000, -0.0004323600000000, 0.0001963500000000 ] - [ 0.0016887000000000, -0.0004814600000000, 0.0004017200000000 ] - [ -0.0006251200000000, 0.0004353500000000, 0.0012594000000000 ] - [ 0.0001714000000000, 0.0009277000000000, 0.0016722600000000 ] - [ -0.0005046200000000, 0.0003516900000000, 0.0014366800000000 ] - [ -0.0000084400000000, 0.0009434800000000, 0.0014989500000000 ] - [ -0.0006983600000000, 0.0002614900000000, 0.0013151800000000 ] - [ 0.0004160400000000, 0.0012442600000000, 0.0017663800000000 ] - [ -0.0402603100000000, -0.0151703500000000, -0.0375739800000000 ] - [ 0.0027853700000000, 0.0007362900000000, 0.0003264000000000 ] - [ 0.0007210000000000, 0.0003942500000000, -0.0000503900000000 ] - [ 0.0017791300000000, 0.0003804400000000, 0.0003349200000000 ] - [ 0.0012837400000000, 0.0003762500000000, 0.0003242300000000 ] - [ 0.0015427200000000, 0.0006083900000000, 0.0003425000000000 ] - [ 0.0020868300000000, 0.0012510200000000, -0.0018611900000000 ] - [ 0.0001207400000000, -0.0025967600000000, 0.0009361700000000 ] - [ 0.0001677900000000, -0.0018245000000000, -0.0020476800000000 ] - [ -0.0000127200000000, 0.0007816400000000, -0.0007057000000000 ] - [ 0.0002069600000000, -0.0004855200000000, -0.0014565800000000 ] - [ 0.0002305200000000, -0.0011133800000000, -0.0016154000000000 ] - [ -0.0012592100000000, -0.0003957700000000, 0.0003928400000000 ] - [ -0.0007977300000000, -0.0003136600000000, -0.0019185300000000 ] - [ -0.0014132800000000, -0.0002587800000000, -0.0001482200000000 ] - [ -0.0014212000000000, -0.0003902400000000, -0.0001699300000000 ] - [ -0.0004946200000000, 0.0018069500000000, 0.0027551100000000 ] - [ -0.0008879400000000, -0.0030225600000000, -0.0037464700000000 ] - [ -0.0009809600000000, 0.0005650900000000, -0.0009205600000000 ] - [ -0.0017534700000000, 0.0004511900000000, 0.0005502200000000 ] - [ -0.0013817700000000, 0.0002705700000000, -0.0002739000000000 ] - [ -0.0014092600000000, 0.0004575700000000, -0.0002934900000000 ] - [ -0.0011848500000000, 0.0014068800000000, -0.0014409900000000 ] - [ -0.0029762300000000, -0.0037623400000000, 0.0036080500000000 ] - [ -0.0001923900000000, 0.0001130800000000, -0.0003502100000000 ] - [ 0.0010312800000000, -0.0001004900000000, -0.0005003900000000 ] - [ 0.0000049700000000, 0.0002953400000000, -0.0002723500000000 ] - [ 0.0007483800000000, -0.0000522600000000, -0.0004663500000000 ] - [ -0.0000905400000000, 0.0001540800000000, -0.0002217400000000 ] - [ 0.0008297400000000, -0.0000138200000000, -0.0004670900000000 ] - [ -0.0005110300000000, 0.0002163700000000, -0.0008599400000000 ] - [ 0.0009081500000000, -0.0010328300000000, 0.0015187500000000 ] - [ -0.0007822900000000, 0.0013344900000000, -0.0013144100000000 ] - [ 0.0011548900000000, -0.0017427900000000, 0.0019533000000000 ] - [ 0.0000857800000000, -0.0003928200000000, 0.0003936400000000 ] - [ 0.0003412100000000, -0.0003423600000000, 0.0006435700000000 ] - [ -0.1529125400000000, -0.0636507500000000, 0.0942415000000000 ] - [ 0.0064239900000000, 0.0017138200000000, -0.0031359400000000 ] - [ -0.0012662500000000, -0.0009632100000000, 0.0001927300000000 ] - [ 0.0014099200000000, 0.0002843000000000, -0.0007201100000000 ] - [ -0.0000180900000000, -0.0002346900000000, -0.0004575500000000 ] - [ 0.0009378400000000, 0.0001394500000000, -0.0006073100000000 ] - [ -0.0031181300000000, 0.0010225800000000, 0.0008533600000000 ] - [ 0.0024070000000000, -0.0010624000000000, 0.0000894200000000 ] - [ -0.0002254700000000, -0.0003834700000000, 0.0001254300000000 ] - [ 0.0001714700000000, -0.0004490100000000, 0.0000785000000000 ] - [ -0.0076461400000000, 0.0012122400000000, 0.0027238200000000 ] - [ 0.0023635300000000, -0.0009488900000000, -0.0002349700000000 ] - [ 0.0011219400000000, -0.0011552200000000, 0.0006825300000000 ] - [ -0.0026946600000000, 0.0032815600000000, -0.0017380300000000 ] - [ 0.0000390200000000, 0.0002608200000000, -0.0002359700000000 ] - [ -0.0007236100000000, 0.0006609400000000, -0.0011464500000000 ] - [ 0.0031253700000000, -0.0006800000000000, 0.0003310600000000 ] - [ -0.0200864200000000, 0.0033432500000000, 0.0037246700000000 ] - [ 0.0049216400000000, -0.0029863300000000, -0.0030307700000000 ] - [ -0.0033010100000000, 0.0033877800000000, 0.0052618600000000 ] - [ -0.0004436800000000, -0.0001325800000000, 0.0003955600000000 ] - [ -0.0002253600000000, -0.0001504600000000, 0.0002103600000000 ] - [ 0.0020462800000000, 0.0000838700000000, -0.0014207900000000 ] - [ 0.0003846300000000, -0.0014287500000000, 0.0021332700000000 ] - [ 0.0007491900000000, 0.0008019900000000, 0.0012204700000000 ] - [ -0.0010850300000000, -0.0015197300000000, -0.0022747600000000 ] - [ -0.0000555200000000, -0.0002865500000000, -0.0002147600000000 ] - [ -0.0002588200000000, -0.0002428400000000, -0.0004677400000000 ] - [ 0.0006338400000000, 0.0008393500000000, 0.0010830300000000 ] - [ -0.0009673200000000, -0.0015220000000000, -0.0019293900000000 ] - [ 0.0008617400000000, 0.0002509800000000, -0.0001273500000000 ] - [ -0.0009615100000000, 0.0006703600000000, -0.0000500800000000 ] - [ 0.0005591500000000, 0.0001392600000000, -0.0001522800000000 ] - [ -0.0004949000000000, 0.0006786500000000, -0.0001488800000000 ] - [ 0.0003447400000000, 0.0005178800000000, -0.0001043500000000 ] - [ -0.0003355100000000, 0.0004381700000000, -0.0001004000000000 ] - [ -0.0186920600000000, -0.0049982300000000, -0.0121173600000000 ] - [ 0.0022649600000000, 0.0010767500000000, 0.0012553800000000 ] - [ -0.0002969000000000, 0.0001488400000000, -0.0001072000000000 ] - [ 0.0003810800000000, 0.0002690400000000, 0.0005298800000000 ] - [ -0.0023718800000000, -0.0041735300000000, -0.0014361500000000 ] - [ 0.0016527100000000, 0.0018767500000000, 0.0017838300000000 ] - [ -0.0013509200000000, -0.0005072400000000, 0.0013358600000000 ] - [ 0.0009264000000000, 0.0008743100000000, -0.0009412900000000 ] - [ -0.0005679100000000, 0.0000000700000000, 0.0005070900000000 ] - [ -0.0002420700000000, 0.0000724700000000, 0.0003235300000000 ] - [ -0.0009309700000000, -0.0001938200000000, 0.0010065400000000 ] - [ 0.0003407000000000, 0.0004288800000000, -0.0002424600000000 ] - [ -0.0004638500000000, 0.0011958600000000, -0.0012783400000000 ] - [ 0.0014056300000000, 0.0008185100000000, 0.0001245200000000 ] - [ -0.0002241500000000, 0.0003931100000000, 0.0001789000000000 ] - [ 0.0000955600000000, 0.0004706900000000, 0.0001003400000000 ] - [ -0.0015318200000000, -0.0000420300000000, 0.0002754000000000 ] - [ 0.0012641900000000, 0.0007621600000000, 0.0000536900000000 ] - [ 0.0091300300000000, 0.0013585000000000, -0.0011504600000000 ] - [ -0.2293102200000000, -0.0637238900000000, 0.0374992200000000 ] - [ 0.0006200600000000, -0.0004771600000000, -0.0000559400000000 ] - [ -0.0010143900000000, -0.0003816900000000, -0.0001850000000000 ] - [ 0.0011982600000000, 0.0000581600000000, -0.0002004300000000 ] - [ -0.0019501300000000, -0.0016839000000000, -0.0000957000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0690071700000000, -0.7825145300000000, -0.0346461900000000 ] - [ -0.0001310000000000, -0.0095441200000000, 0.0004614000000000 ] - [ -0.0015432600000000, 0.0204654700000000, -0.0008455200000000 ] - [ -0.0004097800000000, 0.0028292600000000, -0.0011080000000000 ] - [ -0.0012430200000000, 0.0203408900000000, 0.0004878900000000 ] - [ -0.0021496000000000, 0.0028157300000000, -0.0006281500000000 ] - [ -0.0029849400000000, -0.0024599600000000, 0.0032296400000000 ] - [ 0.0203270800000000, 0.0243388800000000, 0.0240063600000000 ] - [ 0.0012514700000000, 0.0041865100000000, 0.0008996200000000 ] - [ 0.0017033000000000, 0.0116315400000000, -0.0001356400000000 ] - [ 0.0057709600000000, -0.0024490100000000, -0.0005982700000000 ] - [ -0.0093161500000000, 0.0244591800000000, -0.0435931700000000 ] - [ -0.0012389600000000, -0.0071688600000000, -0.0005328500000000 ] - [ -0.0017319100000000, -0.0056418000000000, -0.0012814900000000 ] - [ -0.0023074500000000, 0.0045807500000000, -0.0003645100000000 ] - [ -0.0004736000000000, 0.0038705900000000, -0.0005921500000000 ] - [ -0.0003048300000000, 0.0047015600000000, -0.0023256400000000 ] - [ -0.0019448200000000, 0.0042424100000000, -0.0018488100000000 ] - [ -0.0022242900000000, -0.0009658700000000, -0.0040366100000000 ] - [ 0.0063008900000000, 0.0002568300000000, -0.0068609800000000 ] - [ 0.0011019300000000, 0.0058200800000000, 0.0009410200000000 ] - [ 0.0013873100000000, 0.0064369500000000, 0.0010309400000000 ] - [ 0.0048315400000000, 0.0008380400000000, 0.0047190100000000 ] - [ -0.0029819400000000, -0.0004165200000000, 0.0065109200000000 ] - [ -0.2170056400000000, 0.3973781300000000, -0.1407706900000000 ] - [ -0.0017173300000000, 0.0016601300000000, 0.0009939700000000 ] - [ 0.0015665900000000, -0.0053848600000000, 0.0022242000000000 ] - [ 0.0000505700000000, -0.0017576600000000, 0.0017236600000000 ] - [ 0.0011032100000000, -0.0069117500000000, 0.0021491400000000 ] - [ 0.0004321200000000, -0.0014384800000000, 0.0014998500000000 ] - [ 0.0007960900000000, 0.0010430900000000, -0.0010004600000000 ] - [ -0.0004882400000000, 0.0015602600000000, -0.0011941900000000 ] - [ 0.0009548300000000, -0.0008798400000000, -0.0009975800000000 ] - [ 0.0007332200000000, -0.0008175700000000, -0.0011034400000000 ] - [ -0.0002254400000000, 0.0006773800000000, -0.0014962200000000 ] - [ 0.0006389800000000, 0.0003443100000000, -0.0014270700000000 ] - [ 0.0015833700000000, 0.0012926600000000, -0.0011397600000000 ] - [ 0.0012565200000000, 0.0008652500000000, -0.0007443200000000 ] - [ 0.0015216600000000, -0.0009895500000000, 0.0003424400000000 ] - [ 0.0013767700000000, -0.0008253700000000, 0.0004251100000000 ] - [ 0.0011065800000000, -0.0012750600000000, 0.0012664500000000 ] - [ 0.0016514600000000, -0.0011386900000000, 0.0009715400000000 ] - [ -0.0003846700000000, 0.0000942100000000, 0.0013147000000000 ] - [ -0.0009397600000000, -0.0001999900000000, 0.0011164900000000 ] - [ -0.0007346500000000, -0.0005520000000000, 0.0011955900000000 ] - [ -0.0005029400000000, -0.0002954400000000, 0.0012536300000000 ] - [ 0.0003542500000000, 0.0024935000000000, 0.0019281500000000 ] - [ 0.0008180200000000, 0.0025509100000000, 0.0021354400000000 ] - [ 0.0268679400000000, 0.2226388700000000, 0.2447156400000000 ] - [ 0.0014196900000000, 0.0015565500000000, 0.0010070400000000 ] - [ 0.0012377900000000, -0.0034815200000000, -0.0016962000000000 ] - [ 0.0013813300000000, -0.0000564300000000, -0.0000538900000000 ] - [ 0.0013596000000000, -0.0033736800000000, -0.0029499000000000 ] - [ 0.0013652500000000, -0.0004930900000000, -0.0004491800000000 ] - [ -0.0002217000000000, -0.0001503500000000, -0.0011344600000000 ] - [ 0.0029905200000000, 0.0024813800000000, 0.0032755600000000 ] - [ 0.0006855800000000, -0.0005871500000000, -0.0016392600000000 ] - [ -0.0025559100000000, -0.0062504600000000, -0.0025090000000000 ] - [ -0.0003316500000000, -0.0019962200000000, -0.0016674700000000 ] - [ -0.0005729200000000, -0.0036748700000000, -0.0017427500000000 ] - [ -0.0009418500000000, 0.0008360400000000, 0.0013900300000000 ] - [ -0.0021186800000000, 0.0001740900000000, 0.0017395300000000 ] - [ -0.0015855400000000, -0.0013607900000000, -0.0009872200000000 ] - [ -0.0013687900000000, -0.0015027300000000, -0.0010664100000000 ] - [ -0.0022439700000000, -0.0009701400000000, -0.0015907700000000 ] - [ -0.0005100800000000, -0.0002481700000000, -0.0017998400000000 ] - [ -0.0012851800000000, 0.0013751100000000, -0.0011847900000000 ] - [ -0.0030976500000000, 0.0014198900000000, -0.0048827700000000 ] - [ -0.0013653100000000, -0.0005378200000000, 0.0003497700000000 ] - [ -0.0013800200000000, -0.0019015000000000, 0.0011449500000000 ] - [ -0.0015363600000000, 0.0001083200000000, 0.0002251700000000 ] - [ -0.0020603900000000, -0.0067995600000000, 0.0064045500000000 ] - [ 0.0001133300000000, 0.0007688000000000, -0.0000567700000000 ] - [ -0.0001793400000000, 0.0007440300000000, 0.0001346600000000 ] - [ 0.0006708200000000, -0.0003426400000000, -0.0006673400000000 ] - [ 0.0005847800000000, -0.0002443000000000, -0.0006050600000000 ] - [ 0.0004397000000000, -0.0001499200000000, -0.0004634100000000 ] - [ 0.0007234100000000, -0.0002494100000000, -0.0005357100000000 ] - [ -0.0003337100000000, 0.0017028300000000, -0.0016299300000000 ] - [ -0.0006764400000000, 0.0014475000000000, -0.0009532200000000 ] - [ 0.0004631700000000, -0.0012008300000000, 0.0014074600000000 ] - [ 0.0005096200000000, -0.0009267100000000, 0.0010159100000000 ] - [ 0.0008530300000000, -0.0019387700000000, 0.0016109600000000 ] - [ 0.0007835600000000, -0.0017166100000000, 0.0014828900000000 ] - [ 0.0686714900000000, 0.0655469800000000, -0.0518979200000000 ] - [ 0.0014918700000000, 0.0013470900000000, -0.0014966800000000 ] - [ -0.0001737800000000, -0.0022255400000000, 0.0004062500000000 ] - [ -0.0008192700000000, -0.0007907900000000, 0.0002800400000000 ] - [ -0.0017292000000000, -0.0019411700000000, 0.0011834000000000 ] - [ 0.0007244100000000, -0.0004218400000000, -0.0003929200000000 ] - [ 0.0004268500000000, -0.0031260600000000, -0.0023110100000000 ] - [ 0.0000559800000000, -0.0003303700000000, 0.0002875700000000 ] - [ 0.0006428000000000, -0.0014543700000000, 0.0001706200000000 ] - [ 0.0003213100000000, -0.0008303100000000, 0.0001230400000000 ] - [ -0.0012045300000000, -0.0016451400000000, 0.0056273200000000 ] - [ -0.0003730700000000, -0.0001714700000000, -0.0000107800000000 ] - [ 0.0003059900000000, -0.0001801400000000, -0.0002124100000000 ] - [ 0.0001493200000000, -0.0069194300000000, -0.0001171300000000 ] - [ 0.0004483600000000, -0.0012954200000000, 0.0007425100000000 ] - [ 0.0019646700000000, -0.0052271000000000, 0.0034689300000000 ] - [ -0.0018705300000000, 0.0026074300000000, -0.0020913900000000 ] - [ -0.0016275300000000, 0.0107163000000000, 0.0140618700000000 ] - [ 0.0023875400000000, -0.0004343000000000, -0.0012074000000000 ] - [ -0.0038408800000000, -0.0016231600000000, -0.0011846500000000 ] - [ 0.0001901100000000, -0.0008169800000000, -0.0000649100000000 ] - [ 0.0003620800000000, -0.0013620300000000, -0.0002889100000000 ] - [ -0.0029182100000000, 0.0006087900000000, 0.0018253200000000 ] - [ 0.0028515000000000, -0.0032841100000000, 0.0023378000000000 ] - [ 0.0009553200000000, 0.0019055300000000, 0.0018188200000000 ] - [ 0.0008185300000000, 0.0021987300000000, 0.0021044100000000 ] - [ -0.0006946900000000, -0.0015435400000000, -0.0012633400000000 ] - [ -0.0007348200000000, -0.0018149300000000, -0.0014487200000000 ] - [ -0.0006980400000000, -0.0010510900000000, -0.0013599800000000 ] - [ -0.0004858500000000, -0.0010283200000000, -0.0013348700000000 ] - [ -0.0003276400000000, 0.0009436500000000, -0.0000302900000000 ] - [ -0.0009800600000000, 0.0014882000000000, 0.0003534900000000 ] - [ 0.0000799200000000, 0.0002202900000000, -0.0001850800000000 ] - [ 0.0009583500000000, -0.0002191900000000, -0.0005892500000000 ] - [ 0.0004136600000000, 0.0001586900000000, -0.0001664600000000 ] - [ -0.0000014600000000, 0.0001449700000000, 0.0000036700000000 ] - [ -0.0082624500000000, 0.0030947500000000, -0.0071586400000000 ] - [ 0.0009465500000000, 0.0020937700000000, 0.0014314500000000 ] - [ -0.0018536200000000, -0.0050273000000000, -0.0034277300000000 ] - [ -0.0004926600000000, -0.0012575800000000, -0.0007697100000000 ] - [ -0.0009850500000000, -0.0056942400000000, -0.0004283500000000 ] - [ -0.0000820200000000, -0.0001876700000000, 0.0000658700000000 ] - [ -0.0002922500000000, 0.0000657200000000, 0.0008178800000000 ] - [ -0.0010946800000000, -0.0003462500000000, 0.0014091900000000 ] - [ -0.0008492300000000, -0.0004525300000000, 0.0007256700000000 ] - [ -0.0006741500000000, -0.0004221200000000, 0.0007027100000000 ] - [ -0.0004925800000000, 0.0003707100000000, -0.0001245300000000 ] - [ 0.0005386400000000, 0.0008633400000000, -0.0006235400000000 ] - [ -0.0028013400000000, -0.0000382700000000, 0.0023483800000000 ] - [ 0.0008471800000000, 0.0008955500000000, 0.0002170300000000 ] - [ -0.0007006400000000, -0.0002182000000000, 0.0003832700000000 ] - [ -0.0003152200000000, 0.0000895200000000, 0.0001890000000000 ] - [ 0.0019123600000000, 0.0007705800000000, -0.0009633300000000 ] - [ -0.0009312700000000, 0.0002364100000000, 0.0001050700000000 ] - [ 0.0008421400000000, 0.0007597000000000, -0.0005987600000000 ] - [ 0.0590612700000000, 0.0487765100000000, -0.0104290800000000 ] - [ 0.0000745900000000, -0.0007155900000000, -0.0002065800000000 ] - [ -0.0019660000000000, -0.0021076900000000, 0.0004584400000000 ] - [ -0.0006185300000000, -0.0009452700000000, 0.0000410300000000 ] - [ -0.0002768000000000, -0.0020009400000000, -0.0004999200000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0571544300000000, 0.7681752700000000, 0.0497557700000000 ] - [ -0.0024363100000000, 0.0078215600000000, -0.0023800900000000 ] - [ -0.0009511300000000, -0.0220815700000000, -0.0010254400000000 ] - [ -0.0021327100000000, -0.0045592400000000, -0.0007957300000000 ] - [ -0.0012412400000000, -0.0221962000000000, -0.0023721300000000 ] - [ -0.0003784900000000, -0.0045482700000000, -0.0013126700000000 ] - [ 0.0054951300000000, 0.0007010100000000, -0.0012756500000000 ] - [ -0.0177929300000000, -0.0262400000000000, -0.0219900300000000 ] - [ 0.0012747300000000, -0.0059047500000000, 0.0010512700000000 ] - [ 0.0008393100000000, -0.0133497200000000, 0.0021079100000000 ] - [ -0.0032387500000000, 0.0007412200000000, 0.0025009100000000 ] - [ 0.0119000100000000, -0.0261017200000000, 0.0454880600000000 ] - [ -0.0012774200000000, 0.0089138200000000, -0.0013779800000000 ] - [ -0.0007871000000000, 0.0073783000000000, -0.0006140100000000 ] - [ -0.0002167900000000, -0.0028763900000000, -0.0015563400000000 ] - [ -0.0020635600000000, -0.0021583800000000, -0.0013413100000000 ] - [ -0.0022199400000000, -0.0029479900000000, 0.0003668000000000 ] - [ -0.0005981900000000, -0.0024997500000000, -0.0001079000000000 ] - [ 0.0047379000000000, 0.0026616400000000, 0.0059092800000000 ] - [ -0.0037520200000000, 0.0014500900000000, 0.0088253600000000 ] - [ 0.0014135600000000, -0.0040780300000000, 0.0009565900000000 ] - [ 0.0011502900000000, -0.0046924300000000, 0.0008620700000000 ] - [ -0.0023083700000000, 0.0008852400000000, -0.0028085400000000 ] - [ 0.0055636900000000, 0.0021524800000000, -0.0045960300000000 ] - [ 0.2030391700000000, -0.3803198900000000, 0.1349151600000000 ] - [ 0.0012093800000000, -0.0028905600000000, 0.0019311100000000 ] - [ -0.0020933700000000, 0.0041067400000000, 0.0007234600000000 ] - [ -0.0005202400000000, 0.0004665400000000, 0.0012374900000000 ] - [ -0.0016595900000000, 0.0057125500000000, 0.0007457800000000 ] - [ -0.0009429300000000, 0.0001081600000000, 0.0014188700000000 ] - [ -0.0002974400000000, 0.0002944600000000, -0.0019262700000000 ] - [ 0.0010264400000000, -0.0002473200000000, -0.0017267000000000 ] - [ -0.0004815200000000, 0.0021884700000000, -0.0019372900000000 ] - [ -0.0002069200000000, 0.0021022300000000, -0.0018214300000000 ] - [ 0.0007565700000000, 0.0005190800000000, -0.0014046900000000 ] - [ -0.0000896700000000, 0.0008894300000000, -0.0014797300000000 ] - [ 0.0012231700000000, -0.0019224400000000, 0.0014595300000000 ] - [ 0.0015953500000000, -0.0015076800000000, 0.0010953500000000 ] - [ 0.0012490200000000, 0.0004151700000000, -0.0000219000000000 ] - [ 0.0014361800000000, 0.0002448500000000, -0.0000927500000000 ] - [ 0.0016802100000000, 0.0005463700000000, -0.0009156700000000 ] - [ 0.0011573500000000, 0.0004121700000000, -0.0006286500000000 ] - [ -0.0001645800000000, 0.0011570000000000, 0.0015801900000000 ] - [ 0.0004244900000000, 0.0014599500000000, 0.0017837700000000 ] - [ 0.0001753700000000, 0.0018362700000000, 0.0016997600000000 ] - [ -0.0000232900000000, 0.0015756600000000, 0.0016511500000000 ] - [ -0.0008811200000000, -0.0012621800000000, 0.0010007900000000 ] - [ -0.0013149100000000, -0.0012969200000000, 0.0008143400000000 ] - [ -0.0254628000000000, -0.2265940300000000, -0.2551952000000000 ] - [ 0.0013684900000000, -0.0009512800000000, -0.0006276100000000 ] - [ 0.0015815900000000, 0.0040944100000000, 0.0020521700000000 ] - [ 0.0014555500000000, 0.0007465100000000, 0.0004525800000000 ] - [ 0.0014219700000000, 0.0040842400000000, 0.0032898000000000 ] - [ 0.0014491500000000, 0.0012011900000000, 0.0008181200000000 ] - [ 0.0006969000000000, -0.0011348600000000, -0.0018098600000000 ] - [ -0.0024563800000000, -0.0037190900000000, -0.0062030200000000 ] - [ -0.0001717500000000, -0.0006810200000000, -0.0012927200000000 ] - [ 0.0031501800000000, 0.0050497400000000, -0.0004037000000000 ] - [ 0.0008353600000000, 0.0007288300000000, -0.0012546100000000 ] - [ 0.0011377200000000, 0.0024453100000000, -0.0011517300000000 ] - [ -0.0018691300000000, -0.0015256200000000, -0.0016933800000000 ] - [ -0.0006641700000000, -0.0008908800000000, -0.0020935200000000 ] - [ -0.0012711700000000, 0.0007056600000000, 0.0006432700000000 ] - [ -0.0014350700000000, 0.0008477600000000, 0.0007131900000000 ] - [ -0.0005530800000000, 0.0003674200000000, 0.0012533500000000 ] - [ -0.0022808100000000, -0.0003695600000000, 0.0014327600000000 ] - [ -0.0015240000000000, -0.0006314600000000, 0.0008053700000000 ] - [ 0.0003160400000000, -0.0006733000000000, 0.0045176900000000 ] - [ -0.0014416100000000, 0.0011417900000000, -0.0007469000000000 ] - [ -0.0013944500000000, 0.0024886300000000, -0.0014950900000000 ] - [ -0.0013044300000000, 0.0005051900000000, -0.0005690600000000 ] - [ -0.0007561600000000, 0.0073390000000000, -0.0066570000000000 ] - [ 0.0006632700000000, -0.0006675600000000, -0.0006958100000000 ] - [ 0.0009709800000000, -0.0006526800000000, -0.0008735300000000 ] - [ 0.0000794100000000, 0.0005629300000000, -0.0001077100000000 ] - [ 0.0002001000000000, 0.0004669000000000, -0.0001555600000000 ] - [ 0.0003163000000000, 0.0002748100000000, -0.0003035900000000 ] - [ 0.0000524400000000, 0.0003658400000000, -0.0002334900000000 ] - [ 0.0007147300000000, -0.0023734000000000, 0.0024702500000000 ] - [ 0.0010288600000000, -0.0021144500000000, 0.0017804500000000 ] - [ -0.0001242500000000, 0.0006379100000000, -0.0006435800000000 ] - [ -0.0001837800000000, 0.0003681600000000, -0.0002412800000000 ] - [ -0.0004780100000000, 0.0013516000000000, -0.0007775500000000 ] - [ -0.0004207000000000, 0.0011050000000000, -0.0006347600000000 ] - [ -0.0695879800000000, -0.0656167700000000, 0.0522366000000000 ] - [ -0.0006682300000000, -0.0015388600000000, 0.0007078200000000 ] - [ 0.0008942700000000, 0.0021277900000000, -0.0011490100000000 ] - [ 0.0016402100000000, 0.0007155700000000, -0.0010367100000000 ] - [ 0.0024615400000000, 0.0017963500000000, -0.0019554900000000 ] - [ 0.0000726800000000, 0.0002562400000000, -0.0003591000000000 ] - [ -0.0005596600000000, 0.0021877400000000, 0.0025658500000000 ] - [ -0.0001151000000000, -0.0006184000000000, -0.0000474400000000 ] - [ -0.0007757600000000, 0.0006550500000000, 0.0001264600000000 ] - [ -0.0003936300000000, 0.0000276200000000, 0.0001621800000000 ] - [ 0.0010884800000000, 0.0007512000000000, -0.0054124600000000 ] - [ 0.0003151900000000, -0.0007290100000000, 0.0002157300000000 ] - [ -0.0006805500000000, 0.0008134900000000, -0.0006206200000000 ] - [ -0.0005317700000000, 0.0075231700000000, -0.0007844800000000 ] - [ -0.0007830000000000, 0.0018324300000000, -0.0015096200000000 ] - [ -0.0023113400000000, 0.0058288700000000, -0.0042652500000000 ] - [ 0.0014767500000000, -0.0019553700000000, 0.0012693100000000 ] - [ 0.0022936400000000, -0.0115575400000000, -0.0137753300000000 ] - [ -0.0031833100000000, 0.0003402700000000, 0.0019649600000000 ] - [ 0.0031124500000000, 0.0015404800000000, 0.0019429900000000 ] - [ -0.0010095500000000, 0.0005971900000000, 0.0008359200000000 ] - [ -0.0010763500000000, 0.0011345800000000, 0.0010499800000000 ] - [ 0.0021122300000000, -0.0007363400000000, -0.0010711300000000 ] - [ -0.0035614100000000, 0.0031425200000000, -0.0015963000000000 ] - [ -0.0013260900000000, -0.0024866600000000, -0.0026452200000000 ] - [ -0.0011831400000000, -0.0028057200000000, -0.0029188200000000 ] - [ 0.0003287500000000, 0.0009273000000000, 0.0004483000000000 ] - [ 0.0003703200000000, 0.0011731700000000, 0.0006254300000000 ] - [ 0.0003500600000000, 0.0004464300000000, 0.0005860900000000 ] - [ 0.0001578700000000, 0.0004347000000000, 0.0005717100000000 ] - [ 0.0004066800000000, -0.0000669200000000, -0.0001989300000000 ] - [ 0.0010550600000000, -0.0006203100000000, -0.0005422300000000 ] - [ 0.0000298700000000, 0.0005781700000000, -0.0001535800000000 ] - [ -0.0008502700000000, 0.0010201400000000, 0.0002916800000000 ] - [ -0.0003282900000000, 0.0008066600000000, -0.0001302100000000 ] - [ 0.0001054000000000, 0.0008429200000000, -0.0002686200000000 ] - [ 0.0087118900000000, -0.0021347500000000, 0.0084480100000000 ] - [ -0.0005961700000000, -0.0014806100000000, -0.0006650600000000 ] - [ 0.0021962600000000, 0.0056518100000000, 0.0042322500000000 ] - [ 0.0008652000000000, 0.0019032800000000, 0.0015885200000000 ] - [ 0.0013187400000000, 0.0062500200000000, 0.0012157400000000 ] - [ 0.0004516500000000, 0.0007395900000000, 0.0007632300000000 ] - [ -0.0004878300000000, 0.0000755100000000, -0.0000605000000000 ] - [ 0.0003528400000000, 0.0004915900000000, -0.0006320900000000 ] - [ 0.0000391500000000, 0.0005497100000000, 0.0000335400000000 ] - [ -0.0000712600000000, 0.0005370500000000, 0.0000637100000000 ] - [ -0.0002816800000000, -0.0001831800000000, 0.0008883000000000 ] - [ -0.0013013400000000, -0.0006748200000000, 0.0014089400000000 ] - [ 0.0026986600000000, 0.0010276300000000, -0.0020582400000000 ] - [ -0.0009533100000000, 0.0001017700000000, 0.0000690100000000 ] - [ 0.0006075200000000, 0.0011045400000000, -0.0001557900000000 ] - [ 0.0002424100000000, 0.0008040700000000, 0.0000615000000000 ] - [ -0.0020327500000000, 0.0000119800000000, 0.0012701200000000 ] - [ 0.0008044600000000, 0.0005194800000000, 0.0002011900000000 ] - [ -0.0007696500000000, -0.0015214600000000, 0.0003307400000000 ] - [ -0.0580227700000000, -0.0496862100000000, 0.0098442300000000 ] - [ -0.0000225400000000, -0.0001517200000000, 0.0000154400000000 ] - [ 0.0020586500000000, 0.0012098900000000, -0.0006651100000000 ] - [ 0.0007056300000000, -0.0000665700000000, -0.0003089100000000 ] - [ 0.0003705900000000, 0.0010192900000000, 0.0002102000000000 ]- atom: 1 displacement: [ -0.0017265176572465, 0.0000000000000000, 0.0098498292766533 ] forces: - [ 0.0849987100000000, -0.0449206900000000, -0.6897842800000000 ] - [ -0.0072668400000000, 0.0003851100000000, -0.0067739300000000 ] - [ -0.0034231700000000, 0.0005472700000000, -0.0097614400000000 ] - [ -0.0009239100000000, -0.0003595600000000, -0.0039563200000000 ] - [ -0.0013042100000000, -0.0007266200000000, -0.0094288000000000 ] - [ -0.0014665000000000, -0.0011631200000000, -0.0040730200000000 ] - [ -0.0040695900000000, 0.0014842800000000, 0.0016985000000000 ] - [ 0.0289265100000000, 0.0413138500000000, 0.0120884600000000 ] - [ 0.0012245700000000, -0.0007620300000000, 0.0005543800000000 ] - [ 0.0005145700000000, 0.0003363800000000, -0.0004465400000000 ] - [ -0.0042163400000000, -0.0038092800000000, 0.0016596200000000 ] - [ 0.0131310800000000, -0.0202773100000000, 0.0092794000000000 ] - [ -0.0031014900000000, 0.0004342900000000, 0.0116671100000000 ] - [ -0.0002566100000000, 0.0010956900000000, 0.0043195400000000 ] - [ -0.0020996400000000, 0.0000751000000000, 0.0047507100000000 ] - [ -0.0004572400000000, 0.0006065200000000, 0.0030315700000000 ] - [ -0.0011070200000000, 0.0023377100000000, 0.0029242600000000 ] - [ -0.0008750900000000, 0.0015722400000000, 0.0016665300000000 ] - [ 0.0060786200000000, -0.0034444100000000, 0.0052875200000000 ] - [ -0.0084186700000000, -0.0077304000000000, 0.0134415500000000 ] - [ 0.0016872800000000, 0.0008616300000000, 0.0015888000000000 ] - [ 0.0013376600000000, 0.0009008400000000, 0.0017212200000000 ] - [ 0.0056439700000000, 0.0039208400000000, 0.0041298400000000 ] - [ -0.0035658800000000, 0.0070265300000000, 0.0103333700000000 ] - [ 0.0525865000000000, -0.0858730700000000, 0.0875473100000000 ] - [ 0.0012548100000000, -0.0018093100000000, 0.0021666000000000 ] - [ -0.0002772100000000, -0.0010498600000000, 0.0016427900000000 ] - [ -0.0001734300000000, -0.0008377100000000, 0.0015982500000000 ] - [ -0.0006558000000000, -0.0022352600000000, 0.0032230400000000 ] - [ 0.0000514900000000, -0.0010812700000000, 0.0019090500000000 ] - [ -0.0018323400000000, 0.0032096700000000, -0.0024433700000000 ] - [ 0.0008342800000000, 0.0021090200000000, -0.0027831200000000 ] - [ 0.0001591400000000, 0.0009171200000000, -0.0015809700000000 ] - [ 0.0002682700000000, 0.0009630200000000, -0.0016049000000000 ] - [ 0.0001170400000000, 0.0000497600000000, -0.0013008400000000 ] - [ 0.0012871700000000, -0.0013148800000000, -0.0011374700000000 ] - [ 0.0018933900000000, 0.0015097200000000, -0.0034537700000000 ] - [ 0.0012007200000000, 0.0005306900000000, -0.0011136700000000 ] - [ 0.0015951200000000, 0.0002939500000000, -0.0007670600000000 ] - [ 0.0013628300000000, 0.0001779800000000, -0.0004907600000000 ] - [ 0.0014486800000000, 0.0002683200000000, -0.0009622800000000 ] - [ 0.0012595300000000, 0.0001215100000000, -0.0006122900000000 ] - [ -0.0003619700000000, 0.0003353400000000, 0.0008281400000000 ] - [ -0.0008380000000000, 0.0000233100000000, 0.0007975700000000 ] - [ -0.0003883700000000, 0.0002826800000000, 0.0013294400000000 ] - [ -0.0003984100000000, 0.0003631700000000, 0.0013419600000000 ] - [ -0.0002077100000000, 0.0003318400000000, 0.0008154800000000 ] - [ -0.0006519900000000, 0.0001365500000000, 0.0010261700000000 ] - [ 0.0416715300000000, 0.2220896900000000, 0.3592765300000000 ] - [ 0.0017711000000000, 0.0009719100000000, 0.0012388700000000 ] - [ 0.0017857500000000, 0.0029962800000000, 0.0029535300000000 ] - [ 0.0015145900000000, 0.0009556900000000, 0.0011254200000000 ] - [ 0.0012279700000000, 0.0008867800000000, 0.0007484800000000 ] - [ 0.0013948300000000, 0.0007161100000000, 0.0006858600000000 ] - [ 0.0016954600000000, 0.0008094100000000, -0.0014910500000000 ] - [ -0.0004988200000000, 0.0017995100000000, -0.0023612100000000 ] - [ 0.0004042100000000, -0.0012058800000000, -0.0016837100000000 ] - [ -0.0040009100000000, -0.0092251600000000, -0.0013198900000000 ] - [ 0.0002626200000000, -0.0004872100000000, -0.0014081200000000 ] - [ 0.0002254300000000, -0.0003991600000000, -0.0013095000000000 ] - [ -0.0016635200000000, 0.0002825500000000, 0.0003825900000000 ] - [ -0.0004688200000000, 0.0005774700000000, -0.0007024500000000 ] - [ -0.0014765600000000, -0.0004417900000000, -0.0001895300000000 ] - [ -0.0014266600000000, -0.0005198400000000, -0.0002193000000000 ] - [ -0.0023040600000000, -0.0015619700000000, -0.0011817600000000 ] - [ -0.0001053700000000, -0.0033874100000000, -0.0039174900000000 ] - [ -0.0011358400000000, 0.0004959800000000, -0.0006169100000000 ] - [ -0.0033931400000000, -0.0017155800000000, -0.0026268000000000 ] - [ -0.0013896500000000, 0.0001964700000000, -0.0001984500000000 ] - [ -0.0012429200000000, -0.0003790700000000, 0.0000954800000000 ] - [ -0.0013133800000000, 0.0010246200000000, -0.0010546700000000 ] - [ -0.0019977000000000, 0.0028644000000000, -0.0022756400000000 ] - [ 0.0019433600000000, -0.0008488700000000, -0.0026951500000000 ] - [ 0.0009750900000000, -0.0003455300000000, -0.0012905300000000 ] - [ 0.0006927800000000, 0.0000330200000000, -0.0010904400000000 ] - [ 0.0007359400000000, 0.0000159200000000, -0.0009666500000000 ] - [ 0.0007990000000000, -0.0004275800000000, -0.0011168100000000 ] - [ 0.0007654100000000, -0.0002784500000000, -0.0009407000000000 ] - [ -0.0001646700000000, 0.0009381600000000, -0.0037099600000000 ] - [ -0.0006403100000000, 0.0006792600000000, -0.0013167500000000 ] - [ -0.0009684900000000, 0.0027288900000000, -0.0030849600000000 ] - [ -0.0010382000000000, 0.0016593100000000, -0.0019408900000000 ] - [ 0.0000041400000000, -0.0002302100000000, -0.0002846900000000 ] - [ -0.0000053200000000, -0.0001629600000000, -0.0001068100000000 ] - [ -0.1413076600000000, -0.0691045600000000, 0.1296070300000000 ] - [ 0.0008509100000000, -0.0003303600000000, 0.0004693800000000 ] - [ -0.0001901600000000, -0.0009839600000000, 0.0009462300000000 ] - [ -0.0003241900000000, -0.0005061300000000, 0.0004502800000000 ] - [ -0.0004271800000000, -0.0002859800000000, 0.0009267100000000 ] - [ 0.0000621200000000, -0.0001568200000000, 0.0001358100000000 ] - [ 0.0003999600000000, -0.0046989200000000, -0.0022323800000000 ] - [ 0.0004077200000000, -0.0006244500000000, 0.0003681300000000 ] - [ 0.0003130500000000, -0.0005220200000000, 0.0001649600000000 ] - [ -0.0000692300000000, -0.0004096800000000, 0.0001704600000000 ] - [ -0.0041775800000000, 0.0029382400000000, -0.0015181000000000 ] - [ 0.0006640100000000, -0.0006104600000000, 0.0001636700000000 ] - [ 0.0004986400000000, -0.0007954400000000, 0.0010335700000000 ] - [ 0.0013990900000000, -0.0069009400000000, 0.0065565000000000 ] - [ -0.0000300500000000, 0.0000564500000000, 0.0000652300000000 ] - [ 0.0003749400000000, -0.0006427600000000, 0.0011967200000000 ] - [ 0.0015850100000000, -0.0009415800000000, 0.0012310100000000 ] - [ 0.0084350600000000, -0.0148763300000000, 0.0263867100000000 ] - [ 0.0029918500000000, -0.0018771400000000, -0.0009684300000000 ] - [ -0.0072480300000000, -0.0009901900000000, 0.0030712600000000 ] - [ -0.0004282200000000, -0.0001455800000000, 0.0004821500000000 ] - [ -0.0004031800000000, -0.0002506500000000, 0.0005604100000000 ] - [ 0.0011667800000000, 0.0000224700000000, -0.0003356700000000 ] - [ -0.0029996100000000, 0.0020706400000000, 0.0017548000000000 ] - [ -0.0011002900000000, -0.0015432300000000, -0.0024299700000000 ] - [ -0.0009694500000000, -0.0022737400000000, -0.0042302100000000 ] - [ -0.0004689600000000, -0.0006795500000000, -0.0010757200000000 ] - [ -0.0003744200000000, -0.0005906300000000, -0.0011333900000000 ] - [ -0.0009687900000000, -0.0015383000000000, -0.0020034700000000 ] - [ -0.0011280500000000, -0.0025756500000000, -0.0036933300000000 ] - [ -0.0000465400000000, 0.0004017300000000, -0.0005314700000000 ] - [ 0.0010198000000000, 0.0001003500000000, -0.0013963600000000 ] - [ -0.0000655200000000, 0.0004819500000000, -0.0005131200000000 ] - [ 0.0008958200000000, 0.0001255000000000, -0.0011491200000000 ] - [ 0.0000546800000000, 0.0004039500000000, -0.0003161200000000 ] - [ 0.0003801800000000, 0.0002669100000000, -0.0005081800000000 ] - [ -0.0069022500000000, -0.0073961900000000, 0.0271764900000000 ] - [ 0.0012937100000000, 0.0014101800000000, 0.0022408000000000 ] - [ 0.0007491800000000, 0.0003545900000000, 0.0017845800000000 ] - [ 0.0002751400000000, 0.0004008900000000, 0.0008960400000000 ] - [ 0.0016526800000000, 0.0049317900000000, 0.0041221100000000 ] - [ 0.0011088500000000, 0.0016439100000000, 0.0019515900000000 ] - [ -0.0000983400000000, 0.0004766700000000, -0.0005015300000000 ] - [ 0.0015132700000000, 0.0013657300000000, -0.0020967400000000 ] - [ -0.0004097600000000, 0.0000185800000000, 0.0002704300000000 ] - [ -0.0002324700000000, 0.0000679900000000, 0.0001834600000000 ] - [ -0.0012332600000000, -0.0002314700000000, 0.0001560400000000 ] - [ 0.0010110800000000, 0.0007681500000000, -0.0011767000000000 ] - [ 0.0060235200000000, 0.0038021000000000, -0.0036586400000000 ] - [ -0.0009864800000000, 0.0002703700000000, 0.0000307900000000 ] - [ -0.0001123000000000, 0.0004351500000000, 0.0000686200000000 ] - [ -0.0001358100000000, 0.0004199100000000, 0.0000799600000000 ] - [ 0.0011408400000000, -0.0000420100000000, -0.0007388500000000 ] - [ -0.0010384600000000, 0.0000575400000000, 0.0001018500000000 ] - [ 0.0014265800000000, -0.0004210300000000, 0.0005916200000000 ] - [ -0.0569394200000000, -0.0163002500000000, 0.0378379000000000 ] - [ -0.0001965500000000, -0.0005340500000000, 0.0001142700000000 ] - [ 0.0001742300000000, -0.0008759500000000, 0.0005533100000000 ] - [ -0.0000053500000000, -0.0004658400000000, 0.0002164900000000 ] - [ -0.0000105700000000, -0.0004018300000000, 0.0007908200000000 ]- atom: 1 displacement: [ 0.0017265176572465, 0.0000000000000000, -0.0098498292766533 ] forces: - [ -0.0797227300000000, 0.0602241400000000, 0.6972308800000000 ] - [ 0.0046749400000000, -0.0020491600000000, 0.0048267000000000 ] - [ 0.0008907000000000, -0.0023284600000000, 0.0078373600000000 ] - [ -0.0016049600000000, -0.0013749700000000, 0.0020555500000000 ] - [ -0.0012241300000000, -0.0010214700000000, 0.0074449400000000 ] - [ -0.0010558700000000, -0.0005706400000000, 0.0021362900000000 ] - [ 0.0065640700000000, -0.0031901800000000, 0.0001975800000000 ] - [ -0.0262249000000000, -0.0428291900000000, -0.0101339800000000 ] - [ 0.0013131200000000, -0.0009512900000000, 0.0013491600000000 ] - [ 0.0020062500000000, -0.0020780400000000, 0.0023512400000000 ] - [ 0.0066932400000000, 0.0020602300000000, 0.0002035000000000 ] - [ -0.0104870000000000, 0.0184240400000000, -0.0074081600000000 ] - [ 0.0005857400000000, 0.0012866000000000, -0.0135042600000000 ] - [ -0.0022634700000000, 0.0006349500000000, -0.0061807600000000 ] - [ -0.0004286600000000, 0.0016439800000000, -0.0066359300000000 ] - [ -0.0020726700000000, 0.0010990800000000, -0.0049218500000000 ] - [ -0.0014072800000000, -0.0006102800000000, -0.0048179000000000 ] - [ -0.0016602500000000, 0.0001372300000000, -0.0035773400000000 ] - [ -0.0035487000000000, 0.0051845600000000, -0.0033415600000000 ] - [ 0.0110378900000000, 0.0094999500000000, -0.0114851000000000 ] - [ 0.0008464500000000, 0.0008523000000000, 0.0003165200000000 ] - [ 0.0011856000000000, 0.0008087300000000, 0.0001742100000000 ] - [ -0.0031325900000000, -0.0022215900000000, -0.0022273000000000 ] - [ 0.0061207900000000, -0.0053443200000000, -0.0084203600000000 ] - [ -0.0537602900000000, 0.0844954700000000, -0.0839065700000000 ] - [ -0.0017231000000000, 0.0005334700000000, 0.0007880900000000 ] - [ -0.0002183900000000, -0.0002753100000000, 0.0013362500000000 ] - [ -0.0002554800000000, -0.0004982900000000, 0.0013952300000000 ] - [ 0.0001243900000000, 0.0009450300000000, -0.0003032700000000 ] - [ -0.0005131200000000, -0.0003075000000000, 0.0010530500000000 ] - [ 0.0023196200000000, -0.0018514300000000, -0.0005107100000000 ] - [ -0.0003300600000000, -0.0007628700000000, -0.0001632700000000 ] - [ 0.0002775800000000, 0.0004329400000000, -0.0013835900000000 ] - [ 0.0002294200000000, 0.0003584900000000, -0.0013480400000000 ] - [ 0.0003789800000000, 0.0011879100000000, -0.0016244600000000 ] - [ -0.0007797200000000, 0.0026258000000000, -0.0018086000000000 ] - [ 0.0009203600000000, -0.0021754200000000, 0.0037860300000000 ] - [ 0.0016685600000000, -0.0012344200000000, 0.0015348500000000 ] - [ 0.0011757800000000, -0.0008845100000000, 0.0011204300000000 ] - [ 0.0014585900000000, -0.0007796700000000, 0.0008593900000000 ] - [ 0.0013495300000000, -0.0010067200000000, 0.0013436300000000 ] - [ 0.0015512000000000, -0.0008620300000000, 0.0009929100000000 ] - [ -0.0001675900000000, 0.0009369900000000, 0.0020803800000000 ] - [ 0.0003576500000000, 0.0012771700000000, 0.0021280300000000 ] - [ -0.0001445800000000, 0.0010349300000000, 0.0015887300000000 ] - [ -0.0000909000000000, 0.0009638900000000, 0.0015927500000000 ] - [ -0.0002911900000000, 0.0009309300000000, 0.0021309700000000 ] - [ 0.0001888100000000, 0.0011580100000000, 0.0019558700000000 ] - [ -0.0422342700000000, -0.2361708300000000, -0.3744716300000000 ] - [ 0.0010234000000000, -0.0003379900000000, -0.0008170800000000 ] - [ 0.0010554600000000, -0.0022773600000000, -0.0025005000000000 ] - [ 0.0013332600000000, -0.0002345300000000, -0.0006727100000000 ] - [ 0.0015604200000000, -0.0001495500000000, -0.0003777000000000 ] - [ 0.0014352200000000, 0.0000410600000000, -0.0002446400000000 ] - [ -0.0012224500000000, -0.0021113600000000, -0.0014839400000000 ] - [ 0.0009859900000000, -0.0031069100000000, -0.0005934900000000 ] - [ 0.0000677300000000, -0.0001125900000000, -0.0012892700000000 ] - [ 0.0045450900000000, 0.0079585800000000, -0.0016331500000000 ] - [ 0.0002103500000000, -0.0008049500000000, -0.0015368500000000 ] - [ 0.0003069000000000, -0.0008689900000000, -0.0016060600000000 ] - [ -0.0011663400000000, -0.0010369300000000, -0.0008004400000000 ] - [ -0.0023231200000000, -0.0013497000000000, 0.0002704800000000 ] - [ -0.0013913300000000, -0.0002466100000000, -0.0002020700000000 ] - [ -0.0013853200000000, -0.0001711800000000, -0.0001901300000000 ] - [ -0.0004971700000000, 0.0009361900000000, 0.0007988300000000 ] - [ -0.0026970100000000, 0.0027409800000000, 0.0034853900000000 ] - [ -0.0016796600000000, 0.0002719400000000, 0.0001856500000000 ] - [ 0.0005750700000000, 0.0024591800000000, 0.0022033200000000 ] - [ -0.0014229100000000, 0.0004275800000000, -0.0002373500000000 ] - [ -0.0015382000000000, 0.0009966900000000, -0.0004994700000000 ] - [ -0.0015376600000000, -0.0003682900000000, 0.0006559700000000 ] - [ -0.0008222300000000, -0.0022077700000000, 0.0019388500000000 ] - [ -0.0011432100000000, 0.0009357100000000, 0.0019438500000000 ] - [ -0.0001650700000000, 0.0004164200000000, 0.0005556500000000 ] - [ 0.0000762000000000, 0.0001883100000000, 0.0003240800000000 ] - [ 0.0000702600000000, 0.0002046300000000, 0.0002159400000000 ] - [ -0.0000143000000000, 0.0005479400000000, 0.0003480000000000 ] - [ 0.0000242300000000, 0.0003971900000000, 0.0001606500000000 ] - [ 0.0005430000000000, -0.0015872700000000, 0.0045313300000000 ] - [ 0.0009848400000000, -0.0013321600000000, 0.0021215000000000 ] - [ 0.0013166100000000, -0.0033202700000000, 0.0038746600000000 ] - [ 0.0013693900000000, -0.0022182600000000, 0.0027121900000000 ] - [ 0.0003676800000000, -0.0003442900000000, 0.0010968600000000 ] - [ 0.0003589000000000, -0.0004308700000000, 0.0009326500000000 ] - [ 0.1360865800000000, 0.0656616900000000, -0.1273499700000000 ] - [ -0.0000117300000000, 0.0001360100000000, -0.0012449200000000 ] - [ 0.0009334300000000, 0.0008988900000000, -0.0016879300000000 ] - [ 0.0011592300000000, 0.0004305100000000, -0.0011963200000000 ] - [ 0.0011488600000000, 0.0001461500000000, -0.0016738900000000 ] - [ 0.0007603300000000, 0.0000060100000000, -0.0008854600000000 ] - [ -0.0005192800000000, 0.0037242700000000, 0.0024445700000000 ] - [ -0.0004335900000000, -0.0003339400000000, -0.0001625800000000 ] - [ -0.0004175500000000, -0.0002863300000000, 0.0001152800000000 ] - [ 0.0000145500000000, -0.0003930400000000, 0.0000905000000000 ] - [ 0.0040465000000000, -0.0038008100000000, 0.0017207200000000 ] - [ -0.0006919000000000, -0.0003030400000000, 0.0000197700000000 ] - [ -0.0008690500000000, 0.0014138700000000, -0.0018411700000000 ] - [ -0.0017600500000000, 0.0074883900000000, -0.0073486100000000 ] - [ -0.0003173100000000, 0.0005007000000000, -0.0008340200000000 ] - [ -0.0007046400000000, 0.0012079000000000, -0.0019518300000000 ] - [ -0.0019553800000000, 0.0015704800000000, -0.0020194200000000 ] - [ -0.0085197900000000, 0.0151116300000000, -0.0272015000000000 ] - [ -0.0038032300000000, 0.0017700000000000, 0.0017364300000000 ] - [ 0.0064715900000000, 0.0008942500000000, -0.0023121800000000 ] - [ -0.0004205900000000, -0.0000700400000000, 0.0002960700000000 ] - [ -0.0003397800000000, 0.0000285800000000, 0.0002108500000000 ] - [ -0.0019931900000000, -0.0001364700000000, 0.0010994000000000 ] - [ 0.0022240900000000, -0.0021645300000000, -0.0009719600000000 ] - [ 0.0007191800000000, 0.0009414700000000, 0.0015948000000000 ] - [ 0.0005953500000000, 0.0016561800000000, 0.0034227700000000 ] - [ 0.0000969600000000, 0.0000576100000000, 0.0002561000000000 ] - [ 0.0000062000000000, -0.0000429700000000, 0.0003182800000000 ] - [ 0.0006160400000000, 0.0009450700000000, 0.0012248200000000 ] - [ 0.0008056400000000, 0.0020013900000000, 0.0029321500000000 ] - [ 0.0000992000000000, 0.0004731600000000, 0.0003316400000000 ] - [ -0.0009700900000000, 0.0007524900000000, 0.0012358200000000 ] - [ 0.0001579500000000, 0.0003248200000000, 0.0002103200000000 ] - [ -0.0008004500000000, 0.0006808000000000, 0.0008836300000000 ] - [ 0.0000006800000000, 0.0005711400000000, 0.0000489200000000 ] - [ -0.0002987800000000, 0.0007370600000000, 0.0002752600000000 ] - [ 0.0077876100000000, 0.0090835000000000, -0.0243323900000000 ] - [ -0.0009352200000000, -0.0007963600000000, -0.0014672100000000 ] - [ -0.0003785400000000, 0.0002931300000000, -0.0009446700000000 ] - [ 0.0001067400000000, 0.0002352100000000, -0.0000804300000000 ] - [ -0.0012858200000000, -0.0043161800000000, -0.0032570000000000 ] - [ -0.0007275400000000, -0.0010762400000000, -0.0011135500000000 ] - [ -0.0006919100000000, -0.0003390100000000, 0.0012569400000000 ] - [ -0.0022781200000000, -0.0012348200000000, 0.0028855100000000 ] - [ -0.0004041400000000, 0.0000812900000000, 0.0004786300000000 ] - [ -0.0005246500000000, 0.0000486100000000, 0.0005729100000000 ] - [ 0.0004550400000000, 0.0004232700000000, 0.0005922600000000 ] - [ -0.0017933600000000, -0.0005813200000000, 0.0019531900000000 ] - [ -0.0061564500000000, -0.0028608700000000, 0.0039542200000000 ] - [ 0.0008941000000000, 0.0007270400000000, 0.0002172500000000 ] - [ 0.0000522500000000, 0.0004592200000000, 0.0001264400000000 ] - [ 0.0000757600000000, 0.0004752700000000, 0.0001436900000000 ] - [ -0.0011998900000000, 0.0008445200000000, 0.0009996600000000 ] - [ 0.0009271600000000, 0.0007078500000000, 0.0001711000000000 ] - [ -0.0013867500000000, -0.0003588700000000, -0.0008198500000000 ] - [ 0.0582762600000000, 0.0158182800000000, -0.0379163500000000 ] - [ 0.0002222300000000, -0.0003410400000000, -0.0002757900000000 ] - [ -0.0000854400000000, -0.0000240800000000, -0.0007364100000000 ] - [ 0.0000542900000000, -0.0005549500000000, -0.0004448900000000 ] - [ 0.0000989800000000, -0.0005756200000000, -0.0010565200000000 ]- atom: 25 displacement: [ 0.0099998203540672, 0.0000000000000000, -0.0000599406905484 ] forces: - [ 0.1540260500000000, -0.2129564000000000, 0.0808947400000000 ] - [ -0.0046467400000000, -0.0023144200000000, -0.0000247400000000 ] - [ 0.0006778600000000, 0.0004893600000000, -0.0010228800000000 ] - [ -0.0020316200000000, -0.0001665900000000, -0.0007732800000000 ] - [ -0.0010045500000000, 0.0009570800000000, -0.0009515700000000 ] - [ -0.0015875800000000, -0.0005891300000000, -0.0009614300000000 ] - [ -0.0005724800000000, -0.0004029600000000, 0.0020906400000000 ] - [ 0.0013904500000000, -0.0035602300000000, 0.0002349200000000 ] - [ 0.0013133000000000, -0.0002801200000000, 0.0009772000000000 ] - [ 0.0012736200000000, -0.0000238500000000, 0.0009176100000000 ] - [ 0.0013403500000000, -0.0013107400000000, 0.0011109800000000 ] - [ 0.0014970400000000, 0.0019689300000000, -0.0033284900000000 ] - [ -0.0007752900000000, 0.0002618800000000, -0.0008150700000000 ] - [ -0.0019397100000000, -0.0002066400000000, -0.0014640700000000 ] - [ -0.0008639300000000, 0.0009727700000000, -0.0009774700000000 ] - [ -0.0017051000000000, 0.0015486600000000, -0.0016261900000000 ] - [ -0.0009986600000000, 0.0013308600000000, -0.0010427700000000 ] - [ -0.0015181400000000, 0.0011108200000000, -0.0011615800000000 ] - [ 0.0001549800000000, 0.0014158800000000, -0.0013719100000000 ] - [ 0.0011739800000000, 0.0001137600000000, 0.0015504400000000 ] - [ 0.0012931900000000, 0.0015889500000000, 0.0008872600000000 ] - [ 0.0012128000000000, 0.0013300700000000, 0.0009623800000000 ] - [ 0.0017618500000000, 0.0003623100000000, 0.0008980400000000 ] - [ 0.0005767700000000, 0.0012372100000000, 0.0019009100000000 ] - [ -0.1634094100000000, 0.2174907400000000, -0.0801173400000000 ] - [ 0.0001261300000000, -0.0007254400000000, 0.0014842900000000 ] - [ -0.0003466600000000, -0.0008274500000000, 0.0016139900000000 ] - [ -0.0001196200000000, -0.0008613900000000, 0.0015067900000000 ] - [ -0.0003548900000000, -0.0014675900000000, 0.0016677100000000 ] - [ -0.0001325100000000, -0.0007678600000000, 0.0014799900000000 ] - [ 0.0008154100000000, 0.0001921500000000, -0.0006919200000000 ] - [ 0.0002683700000000, 0.0009258900000000, -0.0016173200000000 ] - [ 0.0003107700000000, 0.0003868700000000, -0.0013958700000000 ] - [ 0.0003163500000000, 0.0005355300000000, -0.0014455400000000 ] - [ 0.0001118000000000, 0.0007689100000000, -0.0015020000000000 ] - [ 0.0003911300000000, 0.0004618100000000, -0.0014426300000000 ] - [ 0.0013536800000000, -0.0002232300000000, 0.0001194300000000 ] - [ 0.0014891800000000, -0.0002701300000000, 0.0002272400000000 ] - [ 0.0013734700000000, -0.0003238800000000, 0.0001989200000000 ] - [ 0.0014199200000000, -0.0004754500000000, 0.0003191400000000 ] - [ 0.0013574600000000, -0.0004556900000000, 0.0002814300000000 ] - [ 0.0014418500000000, -0.0004437200000000, 0.0002796800000000 ] - [ -0.0003628400000000, 0.0005542800000000, 0.0014382500000000 ] - [ -0.0001822200000000, 0.0006270500000000, 0.0015336500000000 ] - [ -0.0003417900000000, 0.0005042600000000, 0.0014345000000000 ] - [ -0.0002476700000000, 0.0006007800000000, 0.0014562200000000 ] - [ -0.0002759000000000, 0.0007062500000000, 0.0014830300000000 ] - [ -0.0000587700000000, 0.0009394700000000, 0.0015636000000000 ] - [ -0.0054274900000000, -0.0038893300000000, -0.0100765800000000 ] - [ 0.0016013700000000, 0.0005700800000000, 0.0003065900000000 ] - [ 0.0014853400000000, 0.0017332700000000, -0.0002269200000000 ] - [ 0.0015095800000000, 0.0002262700000000, 0.0001044000000000 ] - [ 0.0013798700000000, 0.0000384600000000, -0.0001118300000000 ] - [ 0.0014160400000000, 0.0002975700000000, 0.0001387200000000 ] - [ 0.0002428000000000, -0.0005049900000000, -0.0014633300000000 ] - [ 0.0003906700000000, -0.0006919100000000, -0.0010731000000000 ] - [ 0.0002496600000000, -0.0008417800000000, -0.0015965400000000 ] - [ 0.0004039200000000, -0.0001974000000000, -0.0014194400000000 ] - [ 0.0001817600000000, -0.0007762800000000, -0.0014846000000000 ] - [ 0.0002397100000000, -0.0008498400000000, -0.0014835200000000 ] - [ -0.0012472900000000, -0.0000294400000000, 0.0005694700000000 ] - [ -0.0013645000000000, -0.0003100400000000, -0.0002762200000000 ] - [ -0.0014470900000000, -0.0004723000000000, -0.0003050000000000 ] - [ -0.0014022300000000, -0.0004480300000000, -0.0002775900000000 ] - [ -0.0014424500000000, -0.0001066400000000, -0.0000385800000000 ] - [ -0.0012769900000000, -0.0005696900000000, -0.0006020000000000 ] - [ -0.0013333300000000, 0.0005528300000000, -0.0004624000000000 ] - [ -0.0013346100000000, 0.0006612700000000, -0.0001429300000000 ] - [ -0.0013983900000000, 0.0002032600000000, -0.0001432200000000 ] - [ -0.0014047000000000, 0.0001936400000000, -0.0001080500000000 ] - [ -0.0014162100000000, 0.0003753100000000, -0.0002159900000000 ] - [ -0.0015481500000000, -0.0004233600000000, 0.0005370800000000 ] - [ 0.0002126700000000, 0.0001677700000000, -0.0003034200000000 ] - [ 0.0004505600000000, 0.0001262000000000, -0.0002985600000000 ] - [ 0.0002871600000000, 0.0001210800000000, -0.0003328300000000 ] - [ 0.0004814200000000, 0.0000286400000000, -0.0003746300000000 ] - [ 0.0003494700000000, 0.0000441600000000, -0.0003866000000000 ] - [ 0.0004697100000000, 0.0000225000000000, -0.0004148000000000 ] - [ 0.0001523000000000, -0.0001702100000000, 0.0001117500000000 ] - [ 0.0001341000000000, -0.0001120400000000, 0.0003613700000000 ] - [ 0.0000674900000000, -0.0001602700000000, 0.0002865300000000 ] - [ 0.0006018600000000, -0.0010133300000000, 0.0011280400000000 ] - [ 0.0002362800000000, -0.0004485200000000, 0.0005087000000000 ] - [ 0.0002679000000000, -0.0004735900000000, 0.0005725000000000 ] - [ -0.0079374100000000, 0.0096921700000000, -0.0041736400000000 ] - [ 0.0012612300000000, 0.0003081100000000, -0.0009635900000000 ] - [ -0.0003231200000000, -0.0006636000000000, -0.0001309600000000 ] - [ 0.0005623700000000, -0.0000201800000000, -0.0004515800000000 ] - [ 0.0001047000000000, -0.0002560900000000, -0.0001924900000000 ] - [ 0.0004705800000000, -0.0000901000000000, -0.0003995500000000 ] - [ -0.0005334200000000, -0.0001759400000000, 0.0002192400000000 ] - [ 0.0004646200000000, -0.0005634800000000, 0.0001019600000000 ] - [ -0.0000377600000000, -0.0004708700000000, 0.0001702900000000 ] - [ 0.0000145000000000, -0.0004485700000000, 0.0001293500000000 ] - [ -0.0004805900000000, -0.0004411800000000, 0.0003879100000000 ] - [ 0.0000403600000000, -0.0004333500000000, 0.0000646600000000 ] - [ 0.0001287800000000, 0.0000065900000000, -0.0003317600000000 ] - [ -0.0005328400000000, 0.0009758600000000, -0.0007927600000000 ] - [ -0.0000974600000000, 0.0001173800000000, -0.0002689600000000 ] - [ -0.0000038000000000, -0.0001726200000000, -0.0000601000000000 ] - [ -0.0001597500000000, 0.0006247000000000, -0.0006693900000000 ] - [ 0.0046344500000000, -0.0052764300000000, 0.0063889700000000 ] - [ 0.0009173700000000, -0.0004418600000000, -0.0007267300000000 ] - [ -0.0004936400000000, 0.0002566900000000, 0.0006935500000000 ] - [ -0.0003646900000000, -0.0001873600000000, 0.0003443500000000 ] - [ -0.0002827500000000, -0.0002055100000000, 0.0003184600000000 ] - [ -0.0005297000000000, 0.0000127700000000, 0.0004310800000000 ] - [ -0.0000424000000000, -0.0004364500000000, 0.0006818400000000 ] - [ 0.0002925600000000, 0.0004531400000000, 0.0005570400000000 ] - [ -0.0001766300000000, -0.0001974800000000, -0.0003690400000000 ] - [ -0.0002109000000000, -0.0004658900000000, -0.0004463800000000 ] - [ -0.0002382500000000, -0.0004152500000000, -0.0004812100000000 ] - [ -0.0001492300000000, -0.0002419600000000, -0.0003249200000000 ] - [ -0.0002626300000000, -0.0004930700000000, -0.0006279100000000 ] - [ 0.0000672100000000, 0.0005179800000000, -0.0000574400000000 ] - [ -0.0001363300000000, 0.0005258500000000, -0.0000587000000000 ] - [ 0.0001848400000000, 0.0003008900000000, -0.0001129900000000 ] - [ -0.0000394600000000, 0.0004243900000000, -0.0001286100000000 ] - [ 0.0000858700000000, 0.0004658300000000, -0.0001268500000000 ] - [ 0.0000091900000000, 0.0004609800000000, -0.0001164400000000 ] - [ 0.0010639300000000, 0.0012555400000000, 0.0074055300000000 ] - [ 0.0005226700000000, 0.0005558800000000, 0.0004642300000000 ] - [ -0.0000525600000000, -0.0000037800000000, 0.0000599400000000 ] - [ 0.0001335900000000, 0.0000928800000000, 0.0002360600000000 ] - [ -0.0000540900000000, -0.0002770600000000, 0.0002523900000000 ] - [ 0.0002333600000000, 0.0003361200000000, 0.0004479700000000 ] - [ -0.0007145700000000, -0.0001380700000000, 0.0007713000000000 ] - [ -0.0002148400000000, 0.0001549700000000, 0.0002916400000000 ] - [ -0.0004847100000000, -0.0000206500000000, 0.0004495400000000 ] - [ -0.0003665900000000, 0.0000274300000000, 0.0003918300000000 ] - [ -0.0005475400000000, 0.0000662000000000, 0.0004106800000000 ] - [ -0.0001965500000000, 0.0001965300000000, 0.0002255800000000 ] - [ -0.0000637600000000, 0.0006406200000000, -0.0001805900000000 ] - [ 0.0004796000000000, 0.0006397300000000, 0.0001479200000000 ] - [ -0.0001091800000000, 0.0003830700000000, 0.0001364900000000 ] - [ -0.0000632000000000, 0.0003988200000000, 0.0001284600000000 ] - [ 0.0001708200000000, 0.0003791000000000, 0.0000023900000000 ] - [ -0.0000436500000000, 0.0004105200000000, 0.0001223000000000 ] - [ 0.0020344900000000, 0.0003454800000000, -0.0006372500000000 ] - [ 0.0163660100000000, -0.0099373700000000, 0.0031444300000000 ] - [ 0.0001994300000000, -0.0004867300000000, -0.0001183200000000 ] - [ -0.0003052500000000, -0.0005454900000000, -0.0001188400000000 ] - [ 0.0000594100000000, -0.0005026000000000, -0.0001250400000000 ] - [ -0.0000126100000000, -0.0006201700000000, -0.0001707200000000 ]- atom: 25 displacement: [ -0.0099998203540672, 0.0000000000000000, 0.0000599406905484 ] forces: - [ -0.1561226600000000, 0.2052608000000000, -0.0804527700000000 ] - [ 0.0020858700000000, 0.0006329400000000, -0.0019438000000000 ] - [ -0.0032371700000000, -0.0022188900000000, -0.0009383700000000 ] - [ -0.0005221200000000, -0.0015669800000000, -0.0011685300000000 ] - [ -0.0015700100000000, -0.0026806000000000, -0.0010474500000000 ] - [ -0.0009611600000000, -0.0011426300000000, -0.0010172400000000 ] - [ 0.0031424500000000, -0.0013224800000000, -0.0001228600000000 ] - [ 0.0011836400000000, 0.0018547700000000, 0.0017499500000000 ] - [ 0.0012558800000000, -0.0014179400000000, 0.0009888400000000 ] - [ 0.0012854700000000, -0.0016988500000000, 0.0010591000000000 ] - [ 0.0012165100000000, -0.0004003000000000, 0.0008263200000000 ] - [ 0.0010593200000000, -0.0037128100000000, 0.0053230200000000 ] - [ -0.0017826700000000, 0.0014663700000000, -0.0011258200000000 ] - [ -0.0006074000000000, 0.0019313600000000, -0.0004702500000000 ] - [ -0.0017006000000000, 0.0007246800000000, -0.0009854700000000 ] - [ -0.0008600300000000, 0.0001424500000000, -0.0003368600000000 ] - [ -0.0015588400000000, 0.0004016300000000, -0.0009447200000000 ] - [ -0.0010443500000000, 0.0006095700000000, -0.0008228600000000 ] - [ 0.0024022200000000, 0.0003002600000000, 0.0033189800000000 ] - [ 0.0013996100000000, 0.0016080900000000, 0.0004310700000000 ] - [ 0.0012716900000000, 0.0001161300000000, 0.0010671700000000 ] - [ 0.0013477400000000, 0.0003808900000000, 0.0009861000000000 ] - [ 0.0008010200000000, 0.0013350000000000, 0.0010623400000000 ] - [ 0.0020013000000000, 0.0004695600000000, 0.0000793200000000 ] - [ 0.1620967900000000, -0.2127536800000000, 0.0807160600000000 ] - [ -0.0006139500000000, -0.0005547400000000, 0.0014617400000000 ] - [ -0.0001483400000000, -0.0005010400000000, 0.0013602900000000 ] - [ -0.0003394300000000, -0.0004651900000000, 0.0014706000000000 ] - [ -0.0001640400000000, 0.0001310500000000, 0.0012548900000000 ] - [ -0.0003470900000000, -0.0006080900000000, 0.0014561300000000 ] - [ -0.0003251600000000, 0.0011655400000000, -0.0022539600000000 ] - [ 0.0002440300000000, 0.0004069700000000, -0.0013228700000000 ] - [ 0.0001461700000000, 0.0009647300000000, -0.0015590700000000 ] - [ 0.0001766900000000, 0.0007861700000000, -0.0015024600000000 ] - [ 0.0003854800000000, 0.0004924400000000, -0.0014339600000000 ] - [ 0.0001189400000000, 0.0008401100000000, -0.0015044100000000 ] - [ 0.0014647500000000, -0.0004579200000000, 0.0002568400000000 ] - [ 0.0013625500000000, -0.0004223100000000, 0.0001831500000000 ] - [ 0.0014064900000000, -0.0002735900000000, 0.0001630800000000 ] - [ 0.0013905000000000, -0.0001397100000000, 0.0000603800000000 ] - [ 0.0014404900000000, -0.0003030500000000, 0.0001234300000000 ] - [ 0.0013657700000000, -0.0003115000000000, 0.0001224100000000 ] - [ -0.0001592200000000, 0.0007252700000000, 0.0014733500000000 ] - [ -0.0003204800000000, 0.0006515100000000, 0.0013828100000000 ] - [ -0.0001927200000000, 0.0008098100000000, 0.0014834200000000 ] - [ -0.0002558800000000, 0.0007293700000000, 0.0014736500000000 ] - [ -0.0002221800000000, 0.0005596700000000, 0.0014745700000000 ] - [ -0.0004248900000000, 0.0003365000000000, 0.0014095800000000 ] - [ 0.0081723800000000, 0.0045869200000000, 0.0103651400000000 ] - [ 0.0011881400000000, 0.0000720100000000, 0.0001131400000000 ] - [ 0.0013444900000000, -0.0009866700000000, 0.0006767700000000 ] - [ 0.0013285200000000, 0.0004970000000000, 0.0003368700000000 ] - [ 0.0014136000000000, 0.0007101700000000, 0.0004932800000000 ] - [ 0.0014019600000000, 0.0004595200000000, 0.0002821300000000 ] - [ 0.0002360300000000, -0.0007882700000000, -0.0014869000000000 ] - [ 0.0001133700000000, -0.0006071000000000, -0.0018724900000000 ] - [ 0.0002470500000000, -0.0004657100000000, -0.0013597200000000 ] - [ 0.0001295400000000, -0.0011014200000000, -0.0015272000000000 ] - [ 0.0003108300000000, -0.0005200800000000, -0.0014451100000000 ] - [ 0.0002976300000000, -0.0004154000000000, -0.0014200400000000 ] - [ -0.0015697300000000, -0.0007161500000000, -0.0009687300000000 ] - [ -0.0014336000000000, -0.0004553300000000, -0.0001429800000000 ] - [ -0.0014073700000000, -0.0002253000000000, -0.0001013900000000 ] - [ -0.0014141300000000, -0.0002491000000000, -0.0001359800000000 ] - [ -0.0013623100000000, -0.0005461000000000, -0.0003720900000000 ] - [ -0.0015090800000000, -0.0000951300000000, 0.0001510600000000 ] - [ -0.0014772300000000, 0.0002234600000000, 0.0000378600000000 ] - [ -0.0014656700000000, 0.0001291500000000, -0.0002959100000000 ] - [ -0.0014034200000000, 0.0004321900000000, -0.0002888300000000 ] - [ -0.0013814100000000, 0.0004279200000000, -0.0002872900000000 ] - [ -0.0014260400000000, 0.0002754800000000, -0.0001567300000000 ] - [ -0.0012674600000000, 0.0010813000000000, -0.0008832700000000 ] - [ 0.0005748900000000, -0.0000810000000000, -0.0004510900000000 ] - [ 0.0003185600000000, -0.0000427800000000, -0.0004348500000000 ] - [ 0.0004741700000000, 0.0001070400000000, -0.0004346800000000 ] - [ 0.0002848200000000, 0.0002022000000000, -0.0003736300000000 ] - [ 0.0004160100000000, 0.0000828400000000, -0.0003864400000000 ] - [ 0.0003114700000000, 0.0001002500000000, -0.0003666400000000 ] - [ 0.0002307600000000, -0.0004985600000000, 0.0007207100000000 ] - [ 0.0002144600000000, -0.0005607300000000, 0.0004668900000000 ] - [ 0.0002749100000000, -0.0004181100000000, 0.0005035700000000 ] - [ -0.0002757800000000, 0.0004539200000000, -0.0003502300000000 ] - [ 0.0001284100000000, -0.0001288100000000, 0.0003105300000000 ] - [ 0.0000853300000000, -0.0001092300000000, 0.0002579900000000 ] - [ 0.0086360000000000, -0.0098669400000000, 0.0034543400000000 ] - [ -0.0004711200000000, -0.0005059100000000, 0.0001874400000000 ] - [ 0.0010566200000000, 0.0005747200000000, -0.0006130300000000 ] - [ 0.0002298200000000, -0.0000609900000000, -0.0002991400000000 ] - [ 0.0006333100000000, 0.0001101400000000, -0.0005719400000000 ] - [ 0.0003119100000000, -0.0000736300000000, -0.0003483200000000 ] - [ 0.0004190700000000, -0.0007824300000000, 0.0000218000000000 ] - [ -0.0005298400000000, -0.0003923000000000, 0.0001312300000000 ] - [ -0.0000782300000000, -0.0003324400000000, 0.0001344400000000 ] - [ -0.0000977300000000, -0.0003485700000000, 0.0001572200000000 ] - [ 0.0004012400000000, -0.0004543300000000, -0.0001672900000000 ] - [ -0.0001060200000000, -0.0004653000000000, 0.0001487100000000 ] - [ -0.0004944700000000, 0.0006201600000000, -0.0004973500000000 ] - [ 0.0001749700000000, -0.0003563600000000, -0.0000486500000000 ] - [ -0.0002395400000000, 0.0004292800000000, -0.0005041900000000 ] - [ -0.0003292400000000, 0.0007393900000000, -0.0007151900000000 ] - [ -0.0002198100000000, 0.0000279600000000, -0.0001579400000000 ] - [ -0.0049819900000000, 0.0059891100000000, -0.0073065100000000 ] - [ -0.0017214700000000, 0.0003491800000000, 0.0015059700000000 ] - [ -0.0002399300000000, -0.0003554400000000, 0.0000544800000000 ] - [ -0.0004376500000000, -0.0000406800000000, 0.0004287800000000 ] - [ -0.0004542700000000, -0.0000222300000000, 0.0004539900000000 ] - [ -0.0002643200000000, -0.0001342700000000, 0.0003240600000000 ] - [ -0.0007184800000000, 0.0003337300000000, 0.0000730200000000 ] - [ -0.0006622000000000, -0.0010485500000000, -0.0013939100000000 ] - [ -0.0001823800000000, -0.0004105900000000, -0.0004445300000000 ] - [ -0.0001518500000000, -0.0001440800000000, -0.0003741600000000 ] - [ -0.0001267700000000, -0.0002131500000000, -0.0003428300000000 ] - [ -0.0001953900000000, -0.0003533100000000, -0.0004503800000000 ] - [ -0.0000621500000000, -0.0000813700000000, -0.0001327100000000 ] - [ 0.0000172000000000, 0.0003469500000000, -0.0001582100000000 ] - [ 0.0002009500000000, 0.0003365300000000, -0.0001195600000000 ] - [ -0.0000679900000000, 0.0004956900000000, -0.0002115100000000 ] - [ 0.0001445300000000, 0.0003743300000000, -0.0001644700000000 ] - [ -0.0000193100000000, 0.0005169400000000, -0.0001509700000000 ] - [ 0.0000781400000000, 0.0005321600000000, -0.0001422700000000 ] - [ -0.0007820600000000, -0.0006607700000000, -0.0066363800000000 ] - [ -0.0001829400000000, 0.0000456200000000, 0.0002985700000000 ] - [ 0.0004097100000000, 0.0006372700000000, 0.0007744200000000 ] - [ 0.0002383100000000, 0.0005389800000000, 0.0005820400000000 ] - [ 0.0004121500000000, 0.0008678500000000, 0.0005822000000000 ] - [ 0.0001345100000000, 0.0002182400000000, 0.0003855400000000 ] - [ -0.0000412400000000, 0.0002812400000000, -0.0000151200000000 ] - [ -0.0005364000000000, -0.0000222400000000, 0.0004871300000000 ] - [ -0.0002972000000000, 0.0001306500000000, 0.0003015400000000 ] - [ -0.0003782700000000, 0.0000958500000000, 0.0003668000000000 ] - [ -0.0002187500000000, 0.0001168700000000, 0.0003484300000000 ] - [ -0.0005744200000000, -0.0000080000000000, 0.0005600700000000 ] - [ -0.0000188700000000, 0.0003433500000000, 0.0004502800000000 ] - [ -0.0005987600000000, 0.0003449800000000, 0.0001267300000000 ] - [ 0.0000259300000000, 0.0005025000000000, 0.0000882500000000 ] - [ -0.0000163400000000, 0.0004947900000000, 0.0001154300000000 ] - [ -0.0002478400000000, 0.0004121300000000, 0.0002752600000000 ] - [ -0.0000752600000000, 0.0003537400000000, 0.0001660500000000 ] - [ -0.0019740000000000, -0.0011229900000000, 0.0003755500000000 ] - [ -0.0158014700000000, 0.0089877700000000, -0.0034099000000000 ] - [ -0.0001416500000000, -0.0003867600000000, -0.0000698900000000 ] - [ 0.0004076800000000, -0.0003501100000000, -0.0000897700000000 ] - [ 0.0000272800000000, -0.0005022500000000, -0.0001437200000000 ] - [ 0.0001031900000000, -0.0003638100000000, -0.0001185500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.1971645100000000, 0.3790480000000000, -0.1188725600000000 ] - [ 0.0007763400000000, 0.0014182000000000, -0.0017653000000000 ] - [ -0.0033675900000000, -0.0071176400000000, -0.0029117400000000 ] - [ -0.0007115000000000, -0.0016216000000000, -0.0012386200000000 ] - [ -0.0015212800000000, -0.0056151000000000, -0.0014032300000000 ] - [ -0.0009403300000000, -0.0019970500000000, -0.0010840800000000 ] - [ 0.0031705100000000, -0.0003464100000000, -0.0001599500000000 ] - [ -0.0006800100000000, 0.0023013100000000, -0.0018739000000000 ] - [ 0.0014431000000000, -0.0022191100000000, 0.0008416300000000 ] - [ 0.0007864700000000, -0.0039280000000000, 0.0006502200000000 ] - [ 0.0001161800000000, -0.0008264100000000, 0.0013188700000000 ] - [ 0.0027685400000000, -0.0064912300000000, 0.0098990200000000 ] - [ -0.0016572000000000, 0.0027167700000000, -0.0007146400000000 ] - [ -0.0006579900000000, 0.0027750900000000, -0.0003208900000000 ] - [ -0.0014867800000000, 0.0003272500000000, -0.0007045000000000 ] - [ -0.0009915500000000, 0.0000208800000000, -0.0002788600000000 ] - [ -0.0015924200000000, -0.0003392400000000, -0.0006557400000000 ] - [ -0.0010178800000000, -0.0000836100000000, -0.0006435300000000 ] - [ 0.0034436500000000, 0.0012497300000000, 0.0038889300000000 ] - [ -0.0006985300000000, 0.0017838200000000, 0.0020736600000000 ] - [ 0.0014877300000000, -0.0006806500000000, 0.0012476700000000 ] - [ 0.0010527200000000, -0.0006022700000000, 0.0012292700000000 ] - [ 0.0002487700000000, 0.0009316200000000, 0.0001879700000000 ] - [ 0.0025201100000000, 0.0005827900000000, -0.0008185300000000 ] - [ 0.2090602300000000, -0.4105666900000000, 0.1309445400000000 ] - [ -0.0003388100000000, -0.0009545100000000, 0.0015470000000000 ] - [ -0.0010633300000000, 0.0007824500000000, 0.0012585200000000 ] - [ -0.0003188200000000, -0.0004062700000000, 0.0014506500000000 ] - [ -0.0004519500000000, 0.0008001400000000, 0.0012147900000000 ] - [ -0.0004412500000000, -0.0004187400000000, 0.0014400100000000 ] - [ -0.0002174100000000, 0.0010773300000000, -0.0014835500000000 ] - [ 0.0005308100000000, 0.0000005000000000, -0.0012577100000000 ] - [ -0.0000455100000000, 0.0012552400000000, -0.0016817600000000 ] - [ 0.0001355200000000, 0.0010162400000000, -0.0015840000000000 ] - [ 0.0003922700000000, 0.0006153700000000, -0.0014711200000000 ] - [ 0.0000818200000000, 0.0009189300000000, -0.0015283100000000 ] - [ 0.0014370700000000, -0.0006259800000000, 0.0002908300000000 ] - [ 0.0013922500000000, -0.0005656600000000, 0.0002782000000000 ] - [ 0.0013873100000000, -0.0001735200000000, 0.0001306600000000 ] - [ 0.0013952600000000, -0.0000976700000000, 0.0000331300000000 ] - [ 0.0014674100000000, -0.0001300800000000, -0.0000570000000000 ] - [ 0.0013404500000000, -0.0001664000000000, -0.0000101100000000 ] - [ -0.0001894900000000, 0.0007219600000000, 0.0014402300000000 ] - [ -0.0002469900000000, 0.0006987800000000, 0.0014093100000000 ] - [ -0.0001265800000000, 0.0010079600000000, 0.0015225300000000 ] - [ -0.0001912300000000, 0.0009126500000000, 0.0015096700000000 ] - [ -0.0003310800000000, 0.0002673400000000, 0.0013973500000000 ] - [ -0.0005488100000000, 0.0001001200000000, 0.0013311200000000 ] - [ -0.0060853800000000, 0.0232480700000000, 0.0101335600000000 ] - [ 0.0012588400000000, 0.0000105500000000, 0.0000891900000000 ] - [ 0.0029537500000000, 0.0052064600000000, 0.0003655300000000 ] - [ 0.0013456900000000, 0.0004755100000000, 0.0003409800000000 ] - [ 0.0014350100000000, 0.0012714400000000, 0.0009100200000000 ] - [ 0.0014116300000000, 0.0006286600000000, 0.0004059700000000 ] - [ 0.0004358200000000, -0.0006675800000000, -0.0015591300000000 ] - [ -0.0001911200000000, -0.0010301000000000, -0.0022543400000000 ] - [ 0.0001154200000000, -0.0006841700000000, -0.0013824500000000 ] - [ 0.0003201300000000, -0.0010387500000000, -0.0012265700000000 ] - [ 0.0003812200000000, -0.0002940400000000, -0.0013987400000000 ] - [ 0.0005026900000000, 0.0001524800000000, -0.0013658800000000 ] - [ -0.0019798100000000, -0.0008960000000000, -0.0013111300000000 ] - [ -0.0012347800000000, -0.0005451700000000, -0.0004426600000000 ] - [ -0.0013988800000000, -0.0000768900000000, -0.0000014500000000 ] - [ -0.0013864500000000, -0.0000651700000000, -0.0000425200000000 ] - [ -0.0011809400000000, -0.0002352200000000, 0.0000507700000000 ] - [ -0.0016945800000000, -0.0000501800000000, 0.0004458000000000 ] - [ -0.0014641900000000, 0.0000745700000000, 0.0001159800000000 ] - [ -0.0013301900000000, -0.0002404100000000, 0.0003904800000000 ] - [ -0.0014156800000000, 0.0005186800000000, -0.0003381400000000 ] - [ -0.0013473900000000, 0.0006670000000000, -0.0003492500000000 ] - [ -0.0013981700000000, 0.0004318200000000, -0.0003285600000000 ] - [ -0.0012633900000000, 0.0020240300000000, -0.0016354100000000 ] - [ 0.0006462000000000, -0.0002298800000000, -0.0005694100000000 ] - [ 0.0004458400000000, -0.0001600100000000, -0.0005280200000000 ] - [ 0.0004499500000000, 0.0001536600000000, -0.0004480700000000 ] - [ 0.0003135200000000, 0.0002111200000000, -0.0003843700000000 ] - [ 0.0003806200000000, 0.0001391300000000, -0.0003642700000000 ] - [ 0.0002759500000000, 0.0001585500000000, -0.0003471900000000 ] - [ 0.0002959900000000, -0.0007903700000000, 0.0009381700000000 ] - [ 0.0003419800000000, -0.0007985300000000, 0.0006682000000000 ] - [ 0.0002359600000000, -0.0001966100000000, 0.0001825400000000 ] - [ -0.0002669700000000, 0.0003987500000000, -0.0003492500000000 ] - [ 0.0000020400000000, 0.0001942100000000, 0.0000427400000000 ] - [ -0.0000427600000000, 0.0001745200000000, 0.0000227300000000 ] - [ 0.0069351700000000, 0.0084830000000000, -0.0116439500000000 ] - [ -0.0003857400000000, -0.0005726200000000, 0.0001367600000000 ] - [ 0.0007688400000000, 0.0006670500000000, -0.0005832500000000 ] - [ 0.0004246600000000, -0.0000025200000000, -0.0003446500000000 ] - [ 0.0008523800000000, 0.0003764000000000, -0.0007253900000000 ] - [ 0.0003369300000000, 0.0000182900000000, -0.0003731100000000 ] - [ 0.0004868000000000, -0.0008558900000000, 0.0003197600000000 ] - [ -0.0003788700000000, -0.0004769500000000, 0.0001092600000000 ] - [ -0.0001849600000000, -0.0001337300000000, 0.0001901300000000 ] - [ -0.0001654300000000, -0.0002852500000000, 0.0001512000000000 ] - [ 0.0000331200000000, -0.0001218400000000, -0.0008565800000000 ] - [ 0.0000346200000000, -0.0004975500000000, 0.0001238200000000 ] - [ -0.0004419600000000, 0.0004276500000000, -0.0003489300000000 ] - [ 0.0011399600000000, 0.0005239800000000, 0.0015309800000000 ] - [ -0.0003542300000000, 0.0007049400000000, -0.0006801400000000 ] - [ -0.0005863800000000, 0.0015395600000000, -0.0011546800000000 ] - [ 0.0001015300000000, -0.0001420000000000, -0.0000549000000000 ] - [ -0.0081425000000000, 0.0134686300000000, -0.0158438500000000 ] - [ -0.0015569100000000, 0.0001106000000000, 0.0012483700000000 ] - [ 0.0000336400000000, -0.0005371600000000, 0.0000985400000000 ] - [ -0.0006715200000000, 0.0001195500000000, 0.0005843500000000 ] - [ -0.0004857800000000, 0.0001935300000000, 0.0006060800000000 ] - [ 0.0001652300000000, -0.0001476800000000, 0.0000629700000000 ] - [ -0.0011899500000000, 0.0007599400000000, -0.0000797600000000 ] - [ -0.0007856400000000, -0.0013137800000000, -0.0016124200000000 ] - [ -0.0003633700000000, -0.0009570300000000, -0.0010851400000000 ] - [ -0.0001334400000000, -0.0000639100000000, -0.0003531800000000 ] - [ -0.0000725200000000, -0.0000535600000000, -0.0002859000000000 ] - [ -0.0000620200000000, -0.0001321200000000, -0.0001977900000000 ] - [ -0.0000032900000000, 0.0000735100000000, 0.0000472900000000 ] - [ 0.0000975900000000, 0.0002740500000000, -0.0001673400000000 ] - [ 0.0003254500000000, 0.0001820500000000, -0.0001957000000000 ] - [ -0.0000475000000000, 0.0004925500000000, -0.0002150800000000 ] - [ 0.0000564200000000, 0.0004407200000000, -0.0001486500000000 ] - [ -0.0000783000000000, 0.0005804700000000, -0.0001439600000000 ] - [ 0.0000524000000000, 0.0006061400000000, -0.0001517800000000 ] - [ 0.0005863900000000, -0.0058236500000000, -0.0008694000000000 ] - [ -0.0002400700000000, -0.0002862900000000, 0.0000405900000000 ] - [ 0.0011481500000000, 0.0021164700000000, 0.0020791000000000 ] - [ 0.0003160500000000, 0.0007136600000000, 0.0007453900000000 ] - [ 0.0006344500000000, 0.0018626300000000, 0.0008746300000000 ] - [ 0.0002864100000000, 0.0004791900000000, 0.0005752500000000 ] - [ -0.0002364900000000, 0.0001982000000000, -0.0000167000000000 ] - [ -0.0003015100000000, 0.0001018500000000, 0.0001799200000000 ] - [ -0.0002342600000000, 0.0002123500000000, 0.0002185700000000 ] - [ -0.0002749300000000, 0.0002012500000000, 0.0002507100000000 ] - [ -0.0002320000000000, 0.0000693400000000, 0.0004447600000000 ] - [ -0.0006886700000000, -0.0001142100000000, 0.0007002700000000 ] - [ 0.0014237000000000, 0.0006425000000000, -0.0006569100000000 ] - [ -0.0008036600000000, 0.0002387100000000, 0.0001367800000000 ] - [ 0.0002613700000000, 0.0006605000000000, -0.0000474400000000 ] - [ -0.0000250300000000, 0.0005280000000000, 0.0000894600000000 ] - [ -0.0005291100000000, 0.0003748100000000, 0.0004134700000000 ] - [ 0.0001080600000000, 0.0004082000000000, 0.0001642600000000 ] - [ -0.0010262200000000, -0.0009739300000000, 0.0002066800000000 ] - [ -0.0066781500000000, -0.0098680300000000, 0.0024587300000000 ] - [ -0.0002631500000000, -0.0004042400000000, -0.0000118600000000 ] - [ 0.0013384000000000, -0.0000412600000000, -0.0001948300000000 ] - [ 0.0001545300000000, -0.0003983900000000, -0.0001541000000000 ] - [ 0.0002180400000000, -0.0001434200000000, -0.0000827400000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.2079160200000000, -0.3987158700000000, 0.1252357600000000 ] - [ -0.0033358800000000, -0.0031520000000000, -0.0000968500000000 ] - [ 0.0008718500000000, 0.0054507700000000, 0.0010880100000000 ] - [ -0.0018223500000000, -0.0000908300000000, -0.0006195700000000 ] - [ -0.0010021100000000, 0.0039261000000000, -0.0004973500000000 ] - [ -0.0015824100000000, 0.0002624800000000, -0.0008154100000000 ] - [ -0.0006534000000000, -0.0013697900000000, 0.0020742400000000 ] - [ 0.0032356900000000, -0.0039853000000000, 0.0037829300000000 ] - [ 0.0010910400000000, 0.0005020700000000, 0.0010665100000000 ] - [ 0.0017302600000000, 0.0022056800000000, 0.0012547300000000 ] - [ 0.0024123500000000, -0.0009209300000000, 0.0005451900000000 ] - [ -0.0002757600000000, 0.0048216200000000, -0.0081333400000000 ] - [ -0.0008574500000000, -0.0010146200000000, -0.0011450500000000 ] - [ -0.0018629600000000, -0.0010743900000000, -0.0015293800000000 ] - [ -0.0010308900000000, 0.0014086800000000, -0.0011891500000000 ] - [ -0.0015398600000000, 0.0017085900000000, -0.0016196500000000 ] - [ -0.0009265300000000, 0.0020863000000000, -0.0012634400000000 ] - [ -0.0015261300000000, 0.0018231900000000, -0.0012879500000000 ] - [ -0.0009450600000000, 0.0005066100000000, -0.0020504700000000 ] - [ 0.0032477400000000, -0.0000360600000000, -0.0001913100000000 ] - [ 0.0010407100000000, 0.0024212900000000, 0.0006288000000000 ] - [ 0.0014687300000000, 0.0023402300000000, 0.0006403300000000 ] - [ 0.0022888100000000, 0.0007771900000000, 0.0016964900000000 ] - [ 0.0000002500000000, 0.0011450500000000, 0.0027404100000000 ] - [ -0.2229969700000000, 0.4276530700000000, -0.1362450000000000 ] - [ -0.0001712500000000, -0.0002881200000000, 0.0013845500000000 ] - [ 0.0005476800000000, -0.0020900900000000, 0.0017039700000000 ] - [ -0.0001571400000000, -0.0009021200000000, 0.0015170300000000 ] - [ -0.0000888500000000, -0.0021039800000000, 0.0017005300000000 ] - [ -0.0000556500000000, -0.0009238800000000, 0.0014895000000000 ] - [ 0.0007446900000000, 0.0002354500000000, -0.0014333000000000 ] - [ -0.0000013500000000, 0.0013034200000000, -0.0016741200000000 ] - [ 0.0005316300000000, 0.0000490000000000, -0.0012623000000000 ] - [ 0.0003766400000000, 0.0002665100000000, -0.0013593300000000 ] - [ 0.0001232000000000, 0.0006179600000000, -0.0014560900000000 ] - [ 0.0004484100000000, 0.0003487900000000, -0.0014123100000000 ] - [ 0.0013798400000000, -0.0000242200000000, 0.0000508700000000 ] - [ 0.0014588000000000, -0.0000985600000000, 0.0001021900000000 ] - [ 0.0013905800000000, -0.0004042500000000, 0.0002053900000000 ] - [ 0.0014135900000000, -0.0004940300000000, 0.0003170300000000 ] - [ 0.0013280100000000, -0.0006074700000000, 0.0004348700000000 ] - [ 0.0014653800000000, -0.0005659500000000, 0.0003813900000000 ] - [ -0.0003495200000000, 0.0005298700000000, 0.0014656300000000 ] - [ -0.0002744700000000, 0.0005551700000000, 0.0015016000000000 ] - [ -0.0004274800000000, 0.0002722600000000, 0.0013879100000000 ] - [ -0.0003347700000000, 0.0003833500000000, 0.0014101300000000 ] - [ -0.0001839600000000, 0.0009789200000000, 0.0015520500000000 ] - [ 0.0000517100000000, 0.0011556900000000, 0.0016372400000000 ] - [ 0.0090659300000000, -0.0231462600000000, -0.0100478200000000 ] - [ 0.0015319400000000, 0.0006058000000000, 0.0002928500000000 ] - [ -0.0000905500000000, -0.0044789200000000, -0.0000216700000000 ] - [ 0.0014921200000000, 0.0002153100000000, 0.0000629400000000 ] - [ 0.0013550200000000, -0.0005646000000000, -0.0005747800000000 ] - [ 0.0014048400000000, 0.0000999500000000, -0.0000205000000000 ] - [ 0.0000634700000000, -0.0005930500000000, -0.0013859000000000 ] - [ 0.0007198100000000, -0.0002278400000000, -0.0006740500000000 ] - [ 0.0004018900000000, -0.0005991900000000, -0.0015648800000000 ] - [ 0.0002278800000000, -0.0002333400000000, -0.0017112800000000 ] - [ 0.0001258100000000, -0.0009797200000000, -0.0015235200000000 ] - [ 0.0000521500000000, -0.0013923700000000, -0.0015302700000000 ] - [ -0.0008322900000000, 0.0001772600000000, 0.0009562600000000 ] - [ -0.0015656100000000, -0.0001855500000000, 0.0000635400000000 ] - [ -0.0014527000000000, -0.0005924100000000, -0.0003682900000000 ] - [ -0.0014314100000000, -0.0006102300000000, -0.0003430700000000 ] - [ -0.0016221500000000, -0.0003802500000000, -0.0004206400000000 ] - [ -0.0010889100000000, -0.0005857300000000, -0.0008741200000000 ] - [ -0.0013406500000000, 0.0006822900000000, -0.0005166500000000 ] - [ -0.0014771300000000, 0.0010064000000000, -0.0008050000000000 ] - [ -0.0013845800000000, 0.0000887600000000, -0.0000611600000000 ] - [ -0.0014396200000000, -0.0000806800000000, -0.0000024100000000 ] - [ -0.0014411400000000, 0.0001947900000000, -0.0000113800000000 ] - [ -0.0015573900000000, -0.0014297800000000, 0.0013545200000000 ] - [ 0.0001442400000000, 0.0003201400000000, -0.0001823800000000 ] - [ 0.0003282100000000, 0.0002428400000000, -0.0002042000000000 ] - [ 0.0003129200000000, 0.0000711400000000, -0.0003191000000000 ] - [ 0.0004550700000000, 0.0000153800000000, -0.0003658100000000 ] - [ 0.0003881400000000, -0.0000155100000000, -0.0004115700000000 ] - [ 0.0005093900000000, -0.0000407200000000, -0.0004389000000000 ] - [ 0.0000829200000000, 0.0001374600000000, -0.0001161300000000 ] - [ 0.0000087500000000, 0.0001394400000000, 0.0001511900000000 ] - [ 0.0001046500000000, -0.0003853900000000, 0.0006050100000000 ] - [ 0.0006006100000000, -0.0009682100000000, 0.0011327700000000 ] - [ 0.0003658200000000, -0.0007806500000000, 0.0007752700000000 ] - [ 0.0003999500000000, -0.0007648700000000, 0.0008073500000000 ] - [ -0.0064423500000000, -0.0087658700000000, 0.0111250900000000 ] - [ 0.0011860300000000, 0.0003824600000000, -0.0009219900000000 ] - [ -0.0000334100000000, -0.0007534000000000, -0.0001695600000000 ] - [ 0.0003760700000000, -0.0000772800000000, -0.0004099500000000 ] - [ -0.0001215800000000, -0.0005248400000000, -0.0000324700000000 ] - [ 0.0004531300000000, -0.0001782000000000, -0.0003753700000000 ] - [ -0.0005965600000000, -0.0001075100000000, -0.0000873900000000 ] - [ 0.0003301100000000, -0.0004813700000000, 0.0001139000000000 ] - [ 0.0000691600000000, -0.0006725500000000, 0.0001087400000000 ] - [ 0.0000925400000000, -0.0005157700000000, 0.0001282700000000 ] - [ -0.0001229000000000, -0.0007722400000000, 0.0010846600000000 ] - [ -0.0000925300000000, -0.0004014600000000, 0.0000765700000000 ] - [ 0.0000811900000000, 0.0001912800000000, -0.0004738400000000 ] - [ -0.0014965200000000, 0.0000902800000000, -0.0023636200000000 ] - [ 0.0000197800000000, -0.0001595000000000, -0.0000834200000000 ] - [ 0.0002568900000000, -0.0009891700000000, 0.0003926100000000 ] - [ -0.0004786300000000, 0.0008027800000000, -0.0007746500000000 ] - [ 0.0079220000000000, -0.0131092500000000, 0.0152787100000000 ] - [ 0.0007682700000000, -0.0002083800000000, -0.0004873800000000 ] - [ -0.0007812700000000, 0.0004427300000000, 0.0006513300000000 ] - [ -0.0001377000000000, -0.0003451100000000, 0.0001928800000000 ] - [ -0.0002522700000000, -0.0004231000000000, 0.0001644800000000 ] - [ -0.0009710200000000, 0.0000377400000000, 0.0006976000000000 ] - [ 0.0004397200000000, -0.0008700400000000, 0.0008404600000000 ] - [ 0.0004248200000000, 0.0007287300000000, 0.0007973400000000 ] - [ 0.0000042000000000, 0.0003600700000000, 0.0002830300000000 ] - [ -0.0002300300000000, -0.0005540200000000, -0.0004658600000000 ] - [ -0.0002953800000000, -0.0005826900000000, -0.0005380600000000 ] - [ -0.0002811300000000, -0.0004604800000000, -0.0005754500000000 ] - [ -0.0003242600000000, -0.0006514400000000, -0.0008128800000000 ] - [ -0.0000170800000000, 0.0005955200000000, -0.0000376600000000 ] - [ -0.0002727000000000, 0.0006864300000000, 0.0000279000000000 ] - [ 0.0001654900000000, 0.0003050400000000, -0.0001016200000000 ] - [ 0.0000447500000000, 0.0003573200000000, -0.0001365300000000 ] - [ 0.0001425400000000, 0.0004016600000000, -0.0001272700000000 ] - [ 0.0000315300000000, 0.0003854800000000, -0.0000973200000000 ] - [ -0.0003394000000000, 0.0064823900000000, 0.0015365700000000 ] - [ 0.0005893100000000, 0.0008960500000000, 0.0007239400000000 ] - [ -0.0007949800000000, -0.0014955400000000, -0.0012652300000000 ] - [ 0.0000568000000000, -0.0000885300000000, 0.0000667800000000 ] - [ -0.0002873500000000, -0.0012975100000000, -0.0000506400000000 ] - [ 0.0000827400000000, 0.0000822700000000, 0.0002530500000000 ] - [ -0.0005253900000000, -0.0000604300000000, 0.0007792600000000 ] - [ -0.0004583600000000, 0.0000287800000000, 0.0006013000000000 ] - [ -0.0005544000000000, -0.0001102200000000, 0.0005335700000000 ] - [ -0.0004769300000000, -0.0000837800000000, 0.0005062100000000 ] - [ -0.0005385100000000, 0.0001139400000000, 0.0003131700000000 ] - [ -0.0000870800000000, 0.0003040500000000, 0.0000802100000000 ] - [ -0.0015223400000000, 0.0003373500000000, 0.0009308300000000 ] - [ 0.0006943300000000, 0.0007486500000000, 0.0001300700000000 ] - [ -0.0003428200000000, 0.0002188300000000, 0.0002611100000000 ] - [ -0.0000516800000000, 0.0003623300000000, 0.0001412400000000 ] - [ 0.0004627500000000, 0.0004212300000000, -0.0001497700000000 ] - [ -0.0002290000000000, 0.0003583500000000, 0.0001146000000000 ] - [ 0.0011325800000000, 0.0002105800000000, -0.0004723900000000 ] - [ 0.0068836400000000, 0.0093549300000000, -0.0028637600000000 ] - [ 0.0003160700000000, -0.0004746700000000, -0.0001688400000000 ] - [ -0.0012466200000000, -0.0008600800000000, -0.0000096500000000 ] - [ -0.0000726900000000, -0.0006056900000000, -0.0001036700000000 ] - [ -0.0001303700000000, -0.0008416000000000, -0.0001994100000000 ]- atom: 25 displacement: [ -0.0017265176572465, 0.0000000000000000, 0.0098498292766533 ] forces: - [ 0.0584671300000000, -0.0999208700000000, 0.0852599300000000 ] - [ -0.0011219400000000, -0.0010500100000000, -0.0004864500000000 ] - [ -0.0010939400000000, -0.0004407100000000, 0.0009274800000000 ] - [ -0.0013527100000000, -0.0009407900000000, -0.0005601500000000 ] - [ -0.0014110000000000, -0.0004551800000000, -0.0008437100000000 ] - [ -0.0012002600000000, -0.0006814500000000, -0.0008509800000000 ] - [ 0.0019721700000000, -0.0012715000000000, 0.0008141000000000 ] - [ -0.0011586100000000, -0.0050604400000000, -0.0002281900000000 ] - [ 0.0012509800000000, -0.0007720900000000, 0.0010127700000000 ] - [ 0.0014139400000000, -0.0007428900000000, 0.0011460300000000 ] - [ 0.0018111900000000, -0.0006250500000000, 0.0008086500000000 ] - [ 0.0004576300000000, -0.0003446100000000, 0.0017651600000000 ] - [ -0.0011855600000000, 0.0005140000000000, -0.0016253800000000 ] - [ -0.0014272900000000, 0.0003924000000000, -0.0013781000000000 ] - [ -0.0011302000000000, 0.0009840600000000, -0.0015715500000000 ] - [ -0.0014058400000000, 0.0010809100000000, -0.0015651400000000 ] - [ -0.0012832700000000, 0.0010385500000000, -0.0010951100000000 ] - [ -0.0012642400000000, 0.0010225400000000, -0.0010883000000000 ] - [ 0.0002998700000000, 0.0012384000000000, 0.0001863800000000 ] - [ 0.0027791200000000, 0.0012769600000000, -0.0001752100000000 ] - [ 0.0011832100000000, 0.0012092600000000, 0.0008653500000000 ] - [ 0.0013255900000000, 0.0011429000000000, 0.0008437700000000 ] - [ 0.0014965500000000, 0.0008957300000000, 0.0011986500000000 ] - [ 0.0010883800000000, 0.0008219600000000, 0.0011010500000000 ] - [ -0.0517987000000000, 0.0933718600000000, -0.0799130800000000 ] - [ -0.0002998100000000, -0.0005443400000000, 0.0013994400000000 ] - [ -0.0000292500000000, -0.0008699900000000, 0.0014790500000000 ] - [ -0.0002336200000000, -0.0006580100000000, 0.0014792200000000 ] - [ -0.0001184400000000, -0.0007421900000000, 0.0014422800000000 ] - [ -0.0002374800000000, -0.0007135800000000, 0.0014609900000000 ] - [ 0.0009131300000000, 0.0007325000000000, -0.0004473300000000 ] - [ 0.0001100000000000, 0.0008255600000000, -0.0014534300000000 ] - [ 0.0002971700000000, 0.0005160600000000, -0.0014270000000000 ] - [ 0.0002650200000000, 0.0005697800000000, -0.0014458900000000 ] - [ 0.0002368800000000, 0.0006058700000000, -0.0014432900000000 ] - [ 0.0002581100000000, 0.0006345600000000, -0.0014673300000000 ] - [ 0.0013884000000000, -0.0004279200000000, 0.0004220200000000 ] - [ 0.0014531800000000, -0.0003807300000000, 0.0003199300000000 ] - [ 0.0013699200000000, -0.0003695300000000, 0.0002785500000000 ] - [ 0.0014038900000000, -0.0003966900000000, 0.0002919000000000 ] - [ 0.0013984700000000, -0.0004312200000000, 0.0002598800000000 ] - [ 0.0013992000000000, -0.0004156600000000, 0.0002383400000000 ] - [ -0.0002590400000000, 0.0006677700000000, 0.0015293100000000 ] - [ -0.0001854900000000, 0.0006952500000000, 0.0015482100000000 ] - [ -0.0002793500000000, 0.0006211300000000, 0.0014573100000000 ] - [ -0.0002636600000000, 0.0006280200000000, 0.0014639800000000 ] - [ -0.0002374900000000, 0.0007015300000000, 0.0014996000000000 ] - [ -0.0001952900000000, 0.0007458600000000, 0.0015025900000000 ] - [ -0.0106102200000000, 0.0174258300000000, -0.0173287100000000 ] - [ 0.0013899900000000, 0.0003116400000000, 0.0001532300000000 ] - [ 0.0007903200000000, -0.0018124500000000, -0.0002897500000000 ] - [ 0.0014233000000000, 0.0002919200000000, 0.0001005000000000 ] - [ 0.0013848000000000, 0.0002646400000000, 0.0001076200000000 ] - [ 0.0014053400000000, 0.0003324600000000, 0.0001673400000000 ] - [ 0.0001194600000000, -0.0007744200000000, -0.0014651000000000 ] - [ 0.0002788900000000, -0.0008850300000000, -0.0015104700000000 ] - [ 0.0002565900000000, -0.0005431800000000, -0.0014440000000000 ] - [ 0.0006341600000000, 0.0000424800000000, -0.0014507800000000 ] - [ 0.0002361300000000, -0.0006905900000000, -0.0014738300000000 ] - [ 0.0002464000000000, -0.0006706600000000, -0.0014531400000000 ] - [ -0.0014101800000000, -0.0001864800000000, -0.0002397800000000 ] - [ -0.0015047500000000, -0.0004826100000000, -0.0001810800000000 ] - [ -0.0014266400000000, -0.0004051300000000, -0.0002503900000000 ] - [ -0.0014158900000000, -0.0003989200000000, -0.0002423600000000 ] - [ -0.0015167400000000, -0.0004100000000000, -0.0003461500000000 ] - [ -0.0013110800000000, -0.0003432500000000, -0.0002906600000000 ] - [ -0.0014378700000000, 0.0003765900000000, -0.0001425100000000 ] - [ -0.0011986700000000, 0.0006861800000000, 0.0001019300000000 ] - [ -0.0014029600000000, 0.0003196300000000, -0.0002101900000000 ] - [ -0.0014111300000000, 0.0003554300000000, -0.0002324100000000 ] - [ -0.0014313100000000, 0.0002639100000000, -0.0001085000000000 ] - [ -0.0013314900000000, 0.0003343100000000, -0.0001746600000000 ] - [ 0.0002538900000000, 0.0001719400000000, -0.0002125200000000 ] - [ 0.0003513200000000, 0.0001174000000000, -0.0002761200000000 ] - [ 0.0003180800000000, 0.0001214400000000, -0.0002877800000000 ] - [ 0.0003720000000000, 0.0001034200000000, -0.0003106700000000 ] - [ 0.0003894500000000, 0.0000530100000000, -0.0003816000000000 ] - [ 0.0003904000000000, 0.0000502300000000, -0.0003864700000000 ] - [ 0.0002106600000000, -0.0002880000000000, 0.0004525500000000 ] - [ 0.0001392900000000, -0.0002171500000000, 0.0003819800000000 ] - [ 0.0002325400000000, -0.0005535900000000, 0.0007298300000000 ] - [ 0.0003853800000000, -0.0006606800000000, 0.0008011900000000 ] - [ 0.0002243500000000, -0.0003824200000000, 0.0004975900000000 ] - [ 0.0002246400000000, -0.0003997900000000, 0.0005104100000000 ] - [ 0.0017214300000000, -0.0135712100000000, 0.0048103700000000 ] - [ 0.0003965900000000, -0.0000810500000000, -0.0004529300000000 ] - [ 0.0007309200000000, 0.0004345000000000, -0.0006335400000000 ] - [ 0.0004707700000000, 0.0000186100000000, -0.0004697100000000 ] - [ 0.0003682200000000, -0.0001044700000000, -0.0003943400000000 ] - [ 0.0003836900000000, -0.0000981600000000, -0.0003730000000000 ] - [ -0.0000924200000000, -0.0000929600000000, 0.0003175800000000 ] - [ -0.0001461000000000, -0.0004417400000000, 0.0000859200000000 ] - [ -0.0000632600000000, -0.0004214800000000, 0.0001384300000000 ] - [ -0.0000346300000000, -0.0004053100000000, 0.0001415100000000 ] - [ 0.0003841400000000, -0.0006640700000000, 0.0001761900000000 ] - [ -0.0001303800000000, -0.0004306200000000, 0.0001099200000000 ] - [ -0.0002757900000000, 0.0004791500000000, -0.0006060100000000 ] - [ -0.0002917300000000, 0.0012722900000000, -0.0011708300000000 ] - [ -0.0001581000000000, 0.0002362500000000, -0.0003773000000000 ] - [ -0.0001503800000000, 0.0002181600000000, -0.0003901100000000 ] - [ -0.0003218800000000, 0.0004173500000000, -0.0005185500000000 ] - [ -0.0011245500000000, 0.0010084100000000, -0.0010514900000000 ] - [ -0.0011279000000000, 0.0001728900000000, 0.0008936600000000 ] - [ 0.0001490300000000, 0.0001766100000000, 0.0002686600000000 ] - [ -0.0003671400000000, -0.0001345100000000, 0.0003551800000000 ] - [ -0.0003786400000000, -0.0001255300000000, 0.0003618100000000 ] - [ -0.0005721700000000, -0.0000656800000000, 0.0004739700000000 ] - [ -0.0003270600000000, -0.0000433900000000, 0.0001421700000000 ] - [ 0.0000620200000000, 0.0001090200000000, 0.0001153400000000 ] - [ -0.0000984300000000, -0.0000006300000000, 0.0000558400000000 ] - [ -0.0001674700000000, -0.0003270200000000, -0.0003623600000000 ] - [ -0.0001857200000000, -0.0003331400000000, -0.0003672000000000 ] - [ -0.0002028900000000, -0.0003354100000000, -0.0004329200000000 ] - [ -0.0001618100000000, -0.0003056000000000, -0.0003967800000000 ] - [ 0.0000058100000000, 0.0004873300000000, -0.0000581800000000 ] - [ -0.0000202400000000, 0.0004738900000000, -0.0000307700000000 ] - [ 0.0000757800000000, 0.0003754700000000, -0.0000913800000000 ] - [ -0.0000307800000000, 0.0004219400000000, -0.0000428700000000 ] - [ 0.0000331700000000, 0.0004770400000000, -0.0001264800000000 ] - [ 0.0000561000000000, 0.0004828700000000, -0.0001161300000000 ] - [ 0.0083698300000000, 0.0001574400000000, 0.0110979900000000 ] - [ 0.0000775700000000, 0.0002317100000000, 0.0002422900000000 ] - [ -0.0000314400000000, 0.0000559500000000, 0.0000001200000000 ] - [ 0.0001698300000000, 0.0002876000000000, 0.0003341200000000 ] - [ 0.0001883600000000, 0.0001961900000000, 0.0002882600000000 ] - [ 0.0000976800000000, 0.0001598500000000, 0.0003054100000000 ] - [ -0.0003725400000000, 0.0000427700000000, 0.0005207300000000 ] - [ -0.0005330900000000, -0.0000422300000000, 0.0006446000000000 ] - [ -0.0004257700000000, 0.0000220400000000, 0.0004129000000000 ] - [ -0.0003992600000000, 0.0000331000000000, 0.0004121300000000 ] - [ -0.0003961300000000, 0.0001149500000000, 0.0003529300000000 ] - [ -0.0003536300000000, 0.0001222100000000, 0.0003611600000000 ] - [ -0.0014992800000000, 0.0001318100000000, 0.0012064500000000 ] - [ 0.0002355400000000, 0.0005751100000000, 0.0000985100000000 ] - [ -0.0001039100000000, 0.0003997800000000, 0.0001395800000000 ] - [ -0.0000278900000000, 0.0004337100000000, 0.0001182500000000 ] - [ 0.0000503400000000, 0.0003959200000000, 0.0001061800000000 ] - [ -0.0001221000000000, 0.0003689800000000, 0.0001356100000000 ] - [ 0.0000091100000000, -0.0003488600000000, -0.0002393800000000 ] - [ -0.0024155400000000, 0.0030920800000000, -0.0042245200000000 ] - [ 0.0000977900000000, -0.0004178600000000, -0.0001299200000000 ] - [ -0.0002024000000000, -0.0004482400000000, -0.0001298100000000 ] - [ 0.0000036600000000, -0.0005317800000000, -0.0001339300000000 ] - [ 0.0000599400000000, -0.0005080500000000, -0.0001541500000000 ]- atom: 25 displacement: [ 0.0017265176572465, 0.0000000000000000, -0.0098498292766533 ] forces: - [ -0.0609726700000000, 0.0989594700000000, -0.0885102700000000 ] - [ -0.0013942900000000, -0.0006393300000000, -0.0014185500000000 ] - [ -0.0014309700000000, -0.0013248600000000, -0.0028157300000000 ] - [ -0.0011674800000000, -0.0007942700000000, -0.0013173400000000 ] - [ -0.0011293700000000, -0.0013004600000000, -0.0011050900000000 ] - [ -0.0013095300000000, -0.0010654900000000, -0.0010659800000000 ] - [ 0.0005605100000000, -0.0004541600000000, 0.0010916000000000 ] - [ 0.0036600600000000, 0.0033247600000000, 0.0021217300000000 ] - [ 0.0012776400000000, -0.0009523700000000, 0.0008953800000000 ] - [ 0.0011060800000000, -0.0010068600000000, 0.0007734600000000 ] - [ 0.0007067500000000, -0.0011116400000000, 0.0010700600000000 ] - [ 0.0020619600000000, -0.0014387800000000, 0.0002254200000000 ] - [ -0.0013348500000000, 0.0012292400000000, -0.0002452800000000 ] - [ -0.0010849000000000, 0.0013421200000000, -0.0004861100000000 ] - [ -0.0013968800000000, 0.0007264900000000, -0.0003320300000000 ] - [ -0.0011180000000000, 0.0006281600000000, -0.0003298200000000 ] - [ -0.0012397200000000, 0.0006986800000000, -0.0008250400000000 ] - [ -0.0012702600000000, 0.0007029500000000, -0.0008452500000000 ] - [ 0.0022347700000000, 0.0004884400000000, 0.0017069900000000 ] - [ -0.0002710600000000, 0.0004628800000000, 0.0020912700000000 ] - [ 0.0013483300000000, 0.0005001400000000, 0.0010291100000000 ] - [ 0.0011977400000000, 0.0005764000000000, 0.0010419000000000 ] - [ 0.0010361000000000, 0.0008224800000000, 0.0007028000000000 ] - [ 0.0014486100000000, 0.0008948800000000, 0.0008073900000000 ] - [ 0.0513637200000000, -0.0950614100000000, 0.0842355200000000 ] - [ -0.0001955800000000, -0.0007245400000000, 0.0015394000000000 ] - [ -0.0004716600000000, -0.0004506500000000, 0.0014840300000000 ] - [ -0.0002180800000000, -0.0006700100000000, 0.0014949600000000 ] - [ -0.0004043700000000, -0.0005782400000000, 0.0014735000000000 ] - [ -0.0002396400000000, -0.0006695200000000, 0.0014742000000000 ] - [ -0.0004426500000000, 0.0006164900000000, -0.0025220900000000 ] - [ 0.0004032300000000, 0.0005026900000000, -0.0014767300000000 ] - [ 0.0001568500000000, 0.0008436900000000, -0.0015220500000000 ] - [ 0.0002294300000000, 0.0007550500000000, -0.0014986900000000 ] - [ 0.0002667200000000, 0.0006424300000000, -0.0014837100000000 ] - [ 0.0002491300000000, 0.0006667300000000, -0.0014753800000000 ] - [ 0.0014291600000000, -0.0002443700000000, -0.0000588900000000 ] - [ 0.0013967500000000, -0.0003129600000000, 0.0000882100000000 ] - [ 0.0014014400000000, -0.0002197800000000, 0.0000745400000000 ] - [ 0.0014078600000000, -0.0002061300000000, 0.0000767300000000 ] - [ 0.0013950000000000, -0.0003168900000000, 0.0001299700000000 ] - [ 0.0014070000000000, -0.0003309000000000, 0.0001471400000000 ] - [ -0.0002642800000000, 0.0006123400000000, 0.0013771300000000 ] - [ -0.0003154200000000, 0.0005913200000000, 0.0013644400000000 ] - [ -0.0002634000000000, 0.0006862200000000, 0.0014525600000000 ] - [ -0.0002441900000000, 0.0006920200000000, 0.0014591900000000 ] - [ -0.0002644300000000, 0.0005522900000000, 0.0014500200000000 ] - [ -0.0002878800000000, 0.0005297500000000, 0.0014636600000000 ] - [ 0.0133277800000000, -0.0169892500000000, 0.0176669000000000 ] - [ 0.0013952000000000, 0.0003243000000000, 0.0002635700000000 ] - [ 0.0020455100000000, 0.0025419500000000, 0.0007422100000000 ] - [ 0.0014121400000000, 0.0004250800000000, 0.0003369100000000 ] - [ 0.0014021000000000, 0.0004742800000000, 0.0002653900000000 ] - [ 0.0014137400000000, 0.0004216500000000, 0.0002564800000000 ] - [ 0.0003597700000000, -0.0005241100000000, -0.0014892800000000 ] - [ 0.0002265200000000, -0.0004103100000000, -0.0014397300000000 ] - [ 0.0002426700000000, -0.0007527700000000, -0.0015096900000000 ] - [ -0.0000976400000000, -0.0013371300000000, -0.0014957700000000 ] - [ 0.0002577600000000, -0.0005989300000000, -0.0014521900000000 ] - [ 0.0002977700000000, -0.0005797200000000, -0.0014443800000000 ] - [ -0.0014024000000000, -0.0005544100000000, -0.0001452800000000 ] - [ -0.0012874000000000, -0.0002753400000000, -0.0002288000000000 ] - [ -0.0014239700000000, -0.0002813400000000, -0.0001416300000000 ] - [ -0.0013983100000000, -0.0002927700000000, -0.0001731900000000 ] - [ -0.0012855700000000, -0.0002404700000000, -0.0000560000000000 ] - [ -0.0014748800000000, -0.0003161600000000, -0.0001529100000000 ] - [ -0.0013665300000000, 0.0003924300000000, -0.0002784400000000 ] - [ -0.0016037300000000, 0.0000945200000000, -0.0005337700000000 ] - [ -0.0013950600000000, 0.0003061500000000, -0.0002157300000000 ] - [ -0.0013723800000000, 0.0002574600000000, -0.0001530900000000 ] - [ -0.0014069400000000, 0.0003805100000000, -0.0002672900000000 ] - [ -0.0014824600000000, 0.0003251500000000, -0.0001720500000000 ] - [ 0.0005387800000000, -0.0000843500000000, -0.0005362800000000 ] - [ 0.0004223700000000, -0.0000370400000000, -0.0004546800000000 ] - [ 0.0004439500000000, 0.0001133100000000, -0.0004778000000000 ] - [ 0.0004038100000000, 0.0001335900000000, -0.0004351100000000 ] - [ 0.0003762600000000, 0.0000740900000000, -0.0003873400000000 ] - [ 0.0003912000000000, 0.0000687600000000, -0.0003963900000000 ] - [ 0.0001742200000000, -0.0003903700000000, 0.0003872300000000 ] - [ 0.0002071000000000, -0.0004598800000000, 0.0004458200000000 ] - [ 0.0001147900000000, -0.0000283700000000, 0.0000616400000000 ] - [ -0.0000584300000000, 0.0001083300000000, -0.0000180800000000 ] - [ 0.0001432000000000, -0.0002014100000000, 0.0003284400000000 ] - [ 0.0001266500000000, -0.0001882800000000, 0.0003251200000000 ] - [ -0.0009882700000000, 0.0131650000000000, -0.0055300300000000 ] - [ 0.0003931600000000, -0.0001190200000000, -0.0003216900000000 ] - [ 0.0000020100000000, -0.0005136200000000, -0.0001051500000000 ] - [ 0.0003330400000000, -0.0001001200000000, -0.0002801000000000 ] - [ 0.0003564500000000, -0.0000467300000000, -0.0003659700000000 ] - [ 0.0004179100000000, -0.0000627900000000, -0.0003771100000000 ] - [ -0.0000149500000000, -0.0008664100000000, -0.0000895400000000 ] - [ 0.0000931400000000, -0.0005098800000000, 0.0001283800000000 ] - [ -0.0000532900000000, -0.0003847000000000, 0.0001553200000000 ] - [ -0.0000375100000000, -0.0003944600000000, 0.0001352600000000 ] - [ -0.0004520500000000, -0.0002361200000000, 0.0000293100000000 ] - [ 0.0000726500000000, -0.0004779400000000, 0.0000866200000000 ] - [ -0.0000916700000000, 0.0001558900000000, -0.0002244800000000 ] - [ -0.0000634600000000, -0.0006500200000000, 0.0003294700000000 ] - [ -0.0001805900000000, 0.0003183200000000, -0.0004050200000000 ] - [ -0.0001860600000000, 0.0003533400000000, -0.0003952700000000 ] - [ -0.0000582200000000, 0.0002369900000000, -0.0003111500000000 ] - [ 0.0006678400000000, -0.0002179000000000, 0.0000417300000000 ] - [ 0.0003139000000000, -0.0002667300000000, -0.0001168300000000 ] - [ -0.0008785000000000, -0.0002739900000000, 0.0004682200000000 ] - [ -0.0004448400000000, -0.0000952100000000, 0.0004158100000000 ] - [ -0.0003568500000000, -0.0001026600000000, 0.0004066400000000 ] - [ -0.0002289000000000, -0.0000598900000000, 0.0002785100000000 ] - [ -0.0004399200000000, -0.0000536700000000, 0.0006073300000000 ] - [ -0.0004333500000000, -0.0007101900000000, -0.0009553800000000 ] - [ -0.0002620400000000, -0.0006087600000000, -0.0008692700000000 ] - [ -0.0001945800000000, -0.0002790300000000, -0.0004620100000000 ] - [ -0.0001823700000000, -0.0002914400000000, -0.0004540700000000 ] - [ -0.0001391600000000, -0.0002669800000000, -0.0003486500000000 ] - [ -0.0001613500000000, -0.0002672000000000, -0.0003647200000000 ] - [ 0.0000753000000000, 0.0003746200000000, -0.0001495700000000 ] - [ 0.0000836900000000, 0.0003831500000000, -0.0001403400000000 ] - [ 0.0000367100000000, 0.0004340100000000, -0.0002266900000000 ] - [ 0.0001271400000000, 0.0003832400000000, -0.0002395800000000 ] - [ 0.0000294800000000, 0.0005021900000000, -0.0001496400000000 ] - [ 0.0000309200000000, 0.0005132400000000, -0.0001325500000000 ] - [ -0.0079037900000000, 0.0004059500000000, -0.0101668300000000 ] - [ 0.0002623800000000, 0.0003728900000000, 0.0005152400000000 ] - [ 0.0003867900000000, 0.0005838100000000, 0.0008376400000000 ] - [ 0.0002065300000000, 0.0003441700000000, 0.0004846600000000 ] - [ 0.0001714600000000, 0.0004092300000000, 0.0005585300000000 ] - [ 0.0002738200000000, 0.0003902100000000, 0.0005252600000000 ] - [ -0.0003885900000000, 0.0001041300000000, 0.0002319500000000 ] - [ -0.0002275500000000, 0.0001791600000000, 0.0001341600000000 ] - [ -0.0003592900000000, 0.0000898000000000, 0.0003336200000000 ] - [ -0.0003496000000000, 0.0000902500000000, 0.0003433600000000 ] - [ -0.0003665500000000, 0.0000657700000000, 0.0004020200000000 ] - [ -0.0004224600000000, 0.0000632600000000, 0.0004195900000000 ] - [ 0.0014552500000000, 0.0008617400000000, -0.0009681200000000 ] - [ -0.0003565900000000, 0.0004151200000000, 0.0001725700000000 ] - [ 0.0000264800000000, 0.0004941000000000, 0.0000715600000000 ] - [ -0.0000480800000000, 0.0004640200000000, 0.0001177200000000 ] - [ -0.0001247400000000, 0.0003970800000000, 0.0001648100000000 ] - [ 0.0000017900000000, 0.0003899900000000, 0.0001453600000000 ] - [ 0.0000563900000000, -0.0004274300000000, -0.0000111600000000 ] - [ 0.0024833900000000, -0.0038735300000000, 0.0039527500000000 ] - [ -0.0000470800000000, -0.0004523000000000, -0.0000456700000000 ] - [ 0.0003004800000000, -0.0004478000000000, -0.0000708000000000 ] - [ 0.0000699300000000, -0.0004853000000000, -0.0001178400000000 ] - [ 0.0000333700000000, -0.0004724800000000, -0.0001312300000000 ]- atom: 37 displacement: [ 0.0099998203540672, 0.0000000000000000, -0.0000599406905484 ] forces: - [ -0.0009069200000000, -0.0006623900000000, -0.0003652800000000 ] - [ -0.0016058700000000, -0.0010154100000000, -0.0012365200000000 ] - [ -0.0009376300000000, -0.0011826100000000, -0.0008342300000000 ] - [ -0.0015745700000000, -0.0006183100000000, -0.0011367400000000 ] - [ -0.0011810500000000, -0.0007344200000000, -0.0007356700000000 ] - [ -0.0013606600000000, -0.0009089900000000, -0.0010231600000000 ] - [ 0.0003871200000000, -0.0000283200000000, -0.0000976600000000 ] - [ 0.0007410000000000, -0.0017631500000000, 0.0022257100000000 ] - [ 0.0012632300000000, -0.0007167700000000, 0.0009226400000000 ] - [ 0.0012759000000000, -0.0009172200000000, 0.0009599900000000 ] - [ 0.0011216300000000, -0.0013310100000000, 0.0006623100000000 ] - [ 0.0006525200000000, -0.0001145600000000, 0.0018059500000000 ] - [ 0.0405089000000000, -0.0229086400000000, 0.0456616700000000 ] - [ -0.0026903300000000, 0.0008398500000000, -0.0008112900000000 ] - [ -0.0005467200000000, 0.0010150500000000, -0.0004967900000000 ] - [ -0.0016580300000000, 0.0008936000000000, -0.0009408500000000 ] - [ -0.0011423200000000, 0.0008752600000000, -0.0011393200000000 ] - [ -0.0014246800000000, 0.0008993500000000, -0.0010283500000000 ] - [ 0.0008530800000000, 0.0010041100000000, 0.0011535000000000 ] - [ 0.0015959600000000, -0.0007946200000000, -0.0009724100000000 ] - [ 0.0012604700000000, 0.0008999800000000, 0.0009635500000000 ] - [ 0.0012680000000000, 0.0008559600000000, 0.0011004000000000 ] - [ 0.0010392700000000, 0.0007390300000000, 0.0010334100000000 ] - [ 0.0028797300000000, 0.0001274900000000, 0.0006802400000000 ] - [ -0.0003203900000000, -0.0005912600000000, 0.0014243000000000 ] - [ -0.0001824300000000, -0.0006716400000000, 0.0015045200000000 ] - [ -0.0002930100000000, -0.0005888000000000, 0.0014709300000000 ] - [ -0.0001894700000000, -0.0007275300000000, 0.0014868800000000 ] - [ -0.0002844900000000, -0.0006572300000000, 0.0014312000000000 ] - [ -0.0002241900000000, -0.0006964200000000, 0.0014666300000000 ] - [ 0.0003190500000000, 0.0006131100000000, -0.0014928600000000 ] - [ 0.0003277500000000, 0.0007287900000000, -0.0012499700000000 ] - [ 0.0002299900000000, 0.0006609200000000, -0.0014778100000000 ] - [ 0.0002387000000000, 0.0007004200000000, -0.0014937400000000 ] - [ 0.0002535700000000, 0.0006556700000000, -0.0014749300000000 ] - [ 0.0001084500000000, 0.0008148600000000, -0.0014185500000000 ] - [ -0.0425705700000000, 0.0227157600000000, -0.0363142400000000 ] - [ 0.0015371500000000, -0.0003430500000000, 0.0001795700000000 ] - [ 0.0013678500000000, -0.0003564300000000, 0.0002907900000000 ] - [ 0.0014290800000000, -0.0003171400000000, 0.0001807100000000 ] - [ 0.0013764200000000, -0.0004285000000000, 0.0002847300000000 ] - [ 0.0014271500000000, -0.0003941000000000, 0.0002121600000000 ] - [ -0.0001946800000000, -0.0008815600000000, 0.0008319100000000 ] - [ -0.0001528200000000, 0.0007191800000000, 0.0014826700000000 ] - [ -0.0002879100000000, 0.0006174600000000, 0.0014413000000000 ] - [ -0.0002430500000000, 0.0006640500000000, 0.0014589400000000 ] - [ -0.0070054500000000, 0.0082408800000000, -0.0117629200000000 ] - [ -0.0000295400000000, 0.0007839600000000, 0.0015152900000000 ] - [ 0.0013959800000000, 0.0001959400000000, 0.0000278100000000 ] - [ 0.0014023900000000, 0.0003564300000000, 0.0002384900000000 ] - [ 0.0013840600000000, 0.0003771300000000, 0.0002049000000000 ] - [ 0.0014491800000000, 0.0003590900000000, 0.0002510500000000 ] - [ 0.0013966900000000, 0.0003274800000000, 0.0001304800000000 ] - [ 0.0014083400000000, 0.0003930300000000, 0.0002169900000000 ] - [ 0.0003940300000000, -0.0000838200000000, -0.0014509900000000 ] - [ 0.0002898700000000, -0.0008116500000000, -0.0015692700000000 ] - [ 0.0002044700000000, -0.0008759600000000, -0.0015932700000000 ] - [ 0.0003861400000000, -0.0003436400000000, -0.0013632300000000 ] - [ 0.0002256100000000, -0.0006754000000000, -0.0014642900000000 ] - [ 0.0002800300000000, -0.0006458800000000, -0.0014531600000000 ] - [ -0.0013986500000000, -0.0004115000000000, -0.0002426700000000 ] - [ -0.0015223900000000, 0.0000021800000000, 0.0001443300000000 ] - [ -0.0014258800000000, -0.0003466900000000, -0.0002009700000000 ] - [ -0.0013924700000000, -0.0003419500000000, -0.0002196000000000 ] - [ -0.0013907400000000, -0.0003169700000000, -0.0002049500000000 ] - [ -0.0015230200000000, -0.0002532700000000, -0.0002718800000000 ] - [ -0.0000512000000000, -0.0004669700000000, 0.0005897100000000 ] - [ -0.0006144500000000, 0.0008799600000000, -0.0009870200000000 ] - [ -0.0013850100000000, 0.0002583900000000, -0.0001719500000000 ] - [ -0.0014004800000000, 0.0003266600000000, -0.0001753800000000 ] - [ -0.0013820900000000, 0.0004415800000000, -0.0002120900000000 ] - [ -0.0013435700000000, 0.0002388900000000, -0.0001898800000000 ] - [ -0.0004700700000000, 0.0052777500000000, -0.0122654900000000 ] - [ 0.0007294200000000, -0.0000642200000000, -0.0005177100000000 ] - [ 0.0004695500000000, 0.0000896400000000, -0.0004829800000000 ] - [ 0.0004249300000000, 0.0000991500000000, -0.0004045300000000 ] - [ 0.0003423700000000, 0.0000873400000000, -0.0003509400000000 ] - [ 0.0004277700000000, 0.0000429400000000, -0.0004026600000000 ] - [ 0.0000045400000000, 0.0007441500000000, -0.0022574600000000 ] - [ 0.0002651500000000, -0.0003627500000000, 0.0004480700000000 ] - [ -0.0000500500000000, 0.0000714100000000, 0.0001321900000000 ] - [ 0.0002375100000000, -0.0003430600000000, 0.0004378900000000 ] - [ 0.0001868200000000, -0.0003016100000000, 0.0004302600000000 ] - [ 0.0001934900000000, -0.0003130700000000, 0.0004401900000000 ] - [ 0.0002861400000000, -0.0001145900000000, -0.0003997800000000 ] - [ 0.0004968500000000, -0.0000571900000000, -0.0004174300000000 ] - [ 0.0002698700000000, -0.0000505800000000, -0.0003521300000000 ] - [ 0.0004962100000000, -0.0000406600000000, -0.0003843600000000 ] - [ 0.0003325500000000, -0.0000884300000000, -0.0003854700000000 ] - [ 0.0004435900000000, -0.0000612500000000, -0.0003925600000000 ] - [ -0.0001107000000000, -0.0003244800000000, 0.0000304900000000 ] - [ 0.0004824400000000, -0.0006269700000000, 0.0000569600000000 ] - [ -0.0000916800000000, -0.0003931500000000, 0.0001681100000000 ] - [ 0.0000016500000000, -0.0004135300000000, 0.0001350400000000 ] - [ 0.0002988000000000, -0.0007472400000000, -0.0001956000000000 ] - [ 0.0000990500000000, -0.0004787100000000, 0.0000979900000000 ] - [ 0.0000382500000000, 0.0000138700000000, -0.0000295100000000 ] - [ -0.0003075000000000, 0.0006153700000000, -0.0008508800000000 ] - [ -0.0001526600000000, 0.0002589000000000, -0.0003580500000000 ] - [ -0.0001723400000000, 0.0002820500000000, -0.0004037900000000 ] - [ -0.0001480200000000, 0.0003130000000000, -0.0003529400000000 ] - [ -0.0002411700000000, 0.0004063400000000, -0.0006303400000000 ] - [ -0.0005489900000000, 0.0000755000000000, 0.0004994700000000 ] - [ -0.0001197400000000, -0.0001907900000000, 0.0001566200000000 ] - [ -0.0004259300000000, -0.0001140400000000, 0.0004046700000000 ] - [ -0.0003519100000000, -0.0001057000000000, 0.0003855100000000 ] - [ -0.0005338400000000, 0.0000075600000000, 0.0004763100000000 ] - [ -0.0002173200000000, -0.0001540400000000, 0.0002097700000000 ] - [ 0.0000037500000000, -0.0002142200000000, -0.0003856800000000 ] - [ 0.0007750000000000, 0.0018348500000000, 0.0066777800000000 ] - [ -0.0001597000000000, -0.0003065800000000, -0.0004085300000000 ] - [ -0.0003048200000000, -0.0005063900000000, -0.0006514200000000 ] - [ -0.0001332200000000, -0.0002559000000000, -0.0003523700000000 ] - [ -0.0002739400000000, -0.0001899100000000, -0.0003087300000000 ] - [ 0.0005450900000000, 0.0003627000000000, -0.0001913100000000 ] - [ 0.0067762800000000, -0.0123700400000000, 0.0119644300000000 ] - [ 0.0002325200000000, 0.0003241500000000, -0.0002128200000000 ] - [ -0.0004135400000000, 0.0006248400000000, -0.0000573400000000 ] - [ 0.0000686900000000, 0.0004826500000000, -0.0001441600000000 ] - [ 0.0000025100000000, 0.0005040200000000, -0.0001093800000000 ] - [ 0.0000867200000000, 0.0001724100000000, -0.0000215700000000 ] - [ 0.0003685600000000, 0.0005619100000000, 0.0006950500000000 ] - [ 0.0001660200000000, 0.0003651700000000, 0.0004233600000000 ] - [ 0.0002026900000000, 0.0002762000000000, 0.0004307100000000 ] - [ 0.0000809300000000, 0.0000725900000000, 0.0001921000000000 ] - [ 0.0002825800000000, 0.0004247600000000, 0.0005609400000000 ] - [ -0.0002670600000000, 0.0000859400000000, 0.0002781500000000 ] - [ -0.0003298800000000, 0.0001720500000000, 0.0004909600000000 ] - [ -0.0003906500000000, 0.0000501500000000, 0.0003735800000000 ] - [ -0.0003742900000000, 0.0000576100000000, 0.0003652400000000 ] - [ -0.0002752400000000, 0.0001681600000000, 0.0003321500000000 ] - [ -0.0006753900000000, -0.0001846700000000, 0.0008833500000000 ] - [ -0.0004848100000000, 0.0004596500000000, 0.0004228700000000 ] - [ 0.0000672200000000, 0.0005199700000000, 0.0001195400000000 ] - [ -0.0000335100000000, 0.0004437400000000, 0.0000878400000000 ] - [ -0.0000361400000000, 0.0004430700000000, 0.0001165400000000 ] - [ -0.0001880700000000, 0.0005415000000000, 0.0000514700000000 ] - [ -0.0000156500000000, 0.0003951600000000, 0.0001475800000000 ] - [ 0.0001067600000000, -0.0003539300000000, -0.0001014200000000 ] - [ -0.0000004300000000, -0.0004231100000000, -0.0002039400000000 ] - [ 0.0000432000000000, -0.0004632600000000, -0.0000688000000000 ] - [ 0.0000267800000000, -0.0004156400000000, -0.0001281100000000 ] - [ 0.0000474300000000, -0.0004973100000000, -0.0001207200000000 ] - [ 0.0000465600000000, -0.0004989500000000, -0.0001840200000000 ]- atom: 37 displacement: [ -0.0099998203540672, 0.0000000000000000, 0.0000599406905484 ] forces: - [ -0.0016293100000000, -0.0010439300000000, -0.0015027000000000 ] - [ -0.0009245700000000, -0.0006840100000000, -0.0006360100000000 ] - [ -0.0015833000000000, -0.0005699200000000, -0.0010255300000000 ] - [ -0.0009547200000000, -0.0011101800000000, -0.0007145000000000 ] - [ -0.0013590800000000, -0.0010091700000000, -0.0011854800000000 ] - [ -0.0011507500000000, -0.0008502600000000, -0.0008724200000000 ] - [ 0.0021618500000000, -0.0016988000000000, 0.0020161000000000 ] - [ 0.0017861800000000, 0.0000398900000000, -0.0003115400000000 ] - [ 0.0012728100000000, -0.0010290200000000, 0.0009977200000000 ] - [ 0.0012509000000000, -0.0008410600000000, 0.0009738600000000 ] - [ 0.0014024800000000, -0.0004158700000000, 0.0012150200000000 ] - [ 0.0018670300000000, -0.0016075200000000, 0.0001005700000000 ] - [ -0.0438645100000000, 0.0263756700000000, -0.0496983100000000 ] - [ 0.0001685000000000, 0.0008821400000000, -0.0010439900000000 ] - [ -0.0019826300000000, 0.0007030200000000, -0.0014320900000000 ] - [ -0.0008765700000000, 0.0008338100000000, -0.0009730800000000 ] - [ -0.0013893800000000, 0.0008366100000000, -0.0008020200000000 ] - [ -0.0011247100000000, 0.0008310300000000, -0.0009284400000000 ] - [ 0.0016768100000000, 0.0007504500000000, 0.0007282700000000 ] - [ 0.0009247700000000, 0.0025666500000000, 0.0028651500000000 ] - [ 0.0012683800000000, 0.0008300500000000, 0.0009186400000000 ] - [ 0.0012544800000000, 0.0008651400000000, 0.0007669700000000 ] - [ 0.0014941000000000, 0.0009787500000000, 0.0008603500000000 ] - [ -0.0002769600000000, 0.0014951600000000, 0.0012489100000000 ] - [ -0.0001908200000000, -0.0006757200000000, 0.0015100900000000 ] - [ -0.0003011600000000, -0.0006187600000000, 0.0014431800000000 ] - [ -0.0001978100000000, -0.0007490700000000, 0.0015002700000000 ] - [ -0.0002519100000000, -0.0006204700000000, 0.0014954600000000 ] - [ -0.0002316700000000, -0.0006844500000000, 0.0014888600000000 ] - [ -0.0002424800000000, -0.0007021500000000, 0.0014755500000000 ] - [ 0.0001708200000000, 0.0007508500000000, -0.0014517100000000 ] - [ 0.0001786400000000, 0.0006065200000000, -0.0016880100000000 ] - [ 0.0002166200000000, 0.0007143200000000, -0.0014804000000000 ] - [ 0.0002482800000000, 0.0006403500000000, -0.0014590700000000 ] - [ 0.0002446000000000, 0.0006083100000000, -0.0014569200000000 ] - [ 0.0003798600000000, 0.0005256900000000, -0.0015338300000000 ] - [ 0.0459982800000000, -0.0249380600000000, 0.0387259500000000 ] - [ 0.0013160500000000, -0.0003654900000000, 0.0002486700000000 ] - [ 0.0014038500000000, -0.0002436200000000, 0.0000750800000000 ] - [ 0.0013818000000000, -0.0003016400000000, 0.0002122800000000 ] - [ 0.0014171400000000, -0.0003404200000000, 0.0001318300000000 ] - [ 0.0013780100000000, -0.0003752000000000, 0.0002031900000000 ] - [ -0.0003162700000000, 0.0021940300000000, 0.0020837000000000 ] - [ -0.0003376700000000, 0.0005882000000000, 0.0014375600000000 ] - [ -0.0002467000000000, 0.0007040300000000, 0.0014740700000000 ] - [ -0.0002576000000000, 0.0006714000000000, 0.0014689900000000 ] - [ 0.0066469300000000, -0.0070131400000000, 0.0147250700000000 ] - [ -0.0004504500000000, 0.0004970000000000, 0.0014561900000000 ] - [ 0.0014098500000000, 0.0004148200000000, 0.0003647900000000 ] - [ 0.0013857800000000, 0.0002977400000000, 0.0001973500000000 ] - [ 0.0014527200000000, 0.0003613600000000, 0.0002625200000000 ] - [ 0.0013911000000000, 0.0003725700000000, 0.0002076200000000 ] - [ 0.0013898800000000, 0.0004253300000000, 0.0002569900000000 ] - [ 0.0014148100000000, 0.0003806000000000, 0.0002265300000000 ] - [ 0.0000731300000000, -0.0012332900000000, -0.0015118400000000 ] - [ 0.0002105400000000, -0.0004995000000000, -0.0013771100000000 ] - [ 0.0002872400000000, -0.0004344300000000, -0.0013617000000000 ] - [ 0.0001404300000000, -0.0009579000000000, -0.0015853300000000 ] - [ 0.0002631200000000, -0.0006308900000000, -0.0014660600000000 ] - [ 0.0002576700000000, -0.0006193400000000, -0.0014445300000000 ] - [ -0.0014216900000000, -0.0003446500000000, -0.0001781000000000 ] - [ -0.0012753900000000, -0.0007790200000000, -0.0005786000000000 ] - [ -0.0014258700000000, -0.0003567800000000, -0.0002188500000000 ] - [ -0.0014261300000000, -0.0003592800000000, -0.0002161400000000 ] - [ -0.0014098400000000, -0.0003509800000000, -0.0002196600000000 ] - [ -0.0012733800000000, -0.0004216300000000, -0.0002094800000000 ] - [ -0.0028003300000000, 0.0012793900000000, -0.0010549200000000 ] - [ -0.0021633500000000, -0.0000676400000000, 0.0005063900000000 ] - [ -0.0014118500000000, 0.0003834200000000, -0.0002738100000000 ] - [ -0.0013851600000000, 0.0002973700000000, -0.0002203200000000 ] - [ -0.0014562400000000, 0.0002158800000000, -0.0001788300000000 ] - [ -0.0014731200000000, 0.0004165000000000, -0.0001576800000000 ] - [ 0.0012603600000000, -0.0052057200000000, 0.0116665000000000 ] - [ 0.0000509000000000, 0.0001431700000000, -0.0002117100000000 ] - [ 0.0002911800000000, 0.0001442000000000, -0.0002849200000000 ] - [ 0.0003550200000000, 0.0001364600000000, -0.0003462600000000 ] - [ 0.0004259600000000, 0.0000404600000000, -0.0004172100000000 ] - [ 0.0003602000000000, 0.0000729500000000, -0.0003831000000000 ] - [ 0.0002765500000000, -0.0012786200000000, 0.0028979800000000 ] - [ 0.0000837900000000, -0.0003134400000000, 0.0003848300000000 ] - [ 0.0003984300000000, -0.0006647600000000, 0.0006679200000000 ] - [ 0.0000955700000000, -0.0002181500000000, 0.0003515000000000 ] - [ 0.0001797200000000, -0.0002820100000000, 0.0003988100000000 ] - [ 0.0001614100000000, -0.0002811800000000, 0.0004025100000000 ] - [ 0.0004709000000000, -0.0000809300000000, -0.0003702400000000 ] - [ 0.0003019600000000, -0.0001343600000000, -0.0003642300000000 ] - [ 0.0004694400000000, -0.0000327700000000, -0.0003888100000000 ] - [ 0.0003123900000000, -0.0000392600000000, -0.0003656000000000 ] - [ 0.0003945500000000, -0.0000590200000000, -0.0003769400000000 ] - [ 0.0003608500000000, -0.0000938500000000, -0.0003589600000000 ] - [ 0.0000005200000000, -0.0006394300000000, 0.0001985100000000 ] - [ -0.0005371700000000, -0.0003251200000000, 0.0001595000000000 ] - [ -0.0000253800000000, -0.0004134700000000, 0.0001260300000000 ] - [ -0.0000708000000000, -0.0003890400000000, 0.0001412200000000 ] - [ -0.0003660700000000, -0.0001575600000000, 0.0004012900000000 ] - [ -0.0001539000000000, -0.0004276700000000, 0.0000959500000000 ] - [ -0.0004080500000000, 0.0006262200000000, -0.0008084400000000 ] - [ -0.0000586100000000, 0.0000134700000000, 0.0000003800000000 ] - [ -0.0001844500000000, 0.0003026400000000, -0.0004246300000000 ] - [ -0.0001648800000000, 0.0002883200000000, -0.0003810500000000 ] - [ -0.0002288300000000, 0.0003460700000000, -0.0004812000000000 ] - [ -0.0001197400000000, 0.0002390000000000, -0.0002126900000000 ] - [ -0.0002509000000000, -0.0001731300000000, 0.0002713100000000 ] - [ -0.0006169300000000, 0.0000890100000000, 0.0005841100000000 ] - [ -0.0003867700000000, -0.0001118200000000, 0.0003746600000000 ] - [ -0.0003899000000000, -0.0001216800000000, 0.0003900500000000 ] - [ -0.0002664800000000, -0.0001283200000000, 0.0002769100000000 ] - [ -0.0005490300000000, 0.0000525800000000, 0.0005499700000000 ] - [ -0.0003692800000000, -0.0003831300000000, -0.0004455200000000 ] - [ -0.0011530100000000, -0.0024426800000000, -0.0074428100000000 ] - [ -0.0002000900000000, -0.0002989500000000, -0.0004130900000000 ] - [ -0.0000586600000000, -0.0001081000000000, -0.0001682000000000 ] - [ -0.0002057800000000, -0.0003414500000000, -0.0004250300000000 ] - [ -0.0000460300000000, -0.0003671500000000, -0.0004405400000000 ] - [ -0.0004630000000000, 0.0005017300000000, -0.0000088300000000 ] - [ -0.0065320200000000, 0.0129785500000000, -0.0119805900000000 ] - [ -0.0001225300000000, 0.0004857800000000, -0.0000997400000000 ] - [ 0.0005094800000000, 0.0001826300000000, -0.0002266600000000 ] - [ -0.0000128600000000, 0.0004981700000000, -0.0001236200000000 ] - [ 0.0000766300000000, 0.0004914100000000, -0.0001350300000000 ] - [ 0.0002338300000000, 0.0004224000000000, 0.0007763000000000 ] - [ -0.0000294600000000, 0.0000379200000000, 0.0000591600000000 ] - [ 0.0001802900000000, 0.0002617100000000, 0.0004079000000000 ] - [ 0.0001732300000000, 0.0003524800000000, 0.0003895200000000 ] - [ 0.0002669200000000, 0.0005125200000000, 0.0006468500000000 ] - [ 0.0000882900000000, 0.0001249400000000, 0.0002656800000000 ] - [ -0.0004975300000000, 0.0000581700000000, 0.0004760000000000 ] - [ -0.0004367500000000, -0.0000411300000000, 0.0002911900000000 ] - [ -0.0003975000000000, 0.0000579400000000, 0.0003758300000000 ] - [ -0.0003761500000000, 0.0000654000000000, 0.0003899400000000 ] - [ -0.0004875400000000, 0.0000125200000000, 0.0004258900000000 ] - [ -0.0001194100000000, 0.0003667800000000, -0.0000914900000000 ] - [ 0.0004122900000000, 0.0005268900000000, -0.0001646800000000 ] - [ -0.0001815200000000, 0.0004675600000000, 0.0001444400000000 ] - [ -0.0000472200000000, 0.0004510900000000, 0.0001195100000000 ] - [ -0.0000352600000000, 0.0004551100000000, 0.0001105500000000 ] - [ 0.0001192600000000, 0.0002648700000000, 0.0002101100000000 ] - [ -0.0001042800000000, 0.0003658100000000, 0.0001310400000000 ] - [ -0.0000334400000000, -0.0004225900000000, -0.0001486700000000 ] - [ 0.0001104200000000, -0.0003630500000000, -0.0000874000000000 ] - [ 0.0000084200000000, -0.0004103300000000, -0.0001038900000000 ] - [ 0.0000622900000000, -0.0004802200000000, -0.0000677200000000 ] - [ 0.0000304200000000, -0.0005167000000000, -0.0001293700000000 ] - [ 0.0000436500000000, -0.0004809400000000, -0.0001017200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016864300000000, 0.0007749400000000, 0.0008184400000000 ] - [ -0.0010778400000000, 0.0003380600000000, -0.0000434900000000 ] - [ -0.0012193700000000, -0.0017772400000000, -0.0003100200000000 ] - [ -0.0011894400000000, -0.0016223100000000, -0.0004502800000000 ] - [ -0.0015392000000000, -0.0015738700000000, -0.0004499300000000 ] - [ -0.0010269700000000, -0.0014080300000000, -0.0004677000000000 ] - [ 0.0034260600000000, -0.0015107300000000, 0.0026241000000000 ] - [ -0.0014022500000000, -0.0007639500000000, 0.0036226900000000 ] - [ 0.0013785500000000, -0.0019043500000000, 0.0011147500000000 ] - [ 0.0012349400000000, -0.0020640000000000, 0.0011734700000000 ] - [ 0.0012388500000000, 0.0003026900000000, 0.0002825500000000 ] - [ 0.0013654900000000, -0.0003349200000000, -0.0000078900000000 ] - [ -0.0184618300000000, 0.2232354800000000, -0.2314378500000000 ] - [ -0.0008808700000000, 0.0021213400000000, -0.0015529600000000 ] - [ -0.0012473400000000, -0.0029084200000000, -0.0036871000000000 ] - [ -0.0012715800000000, 0.0004623500000000, -0.0015984100000000 ] - [ -0.0012860500000000, -0.0028853000000000, -0.0015086200000000 ] - [ -0.0010605000000000, 0.0000090600000000, -0.0013034900000000 ] - [ 0.0011119800000000, 0.0018795400000000, 0.0010686500000000 ] - [ 0.0012050400000000, 0.0019436100000000, -0.0011439900000000 ] - [ 0.0013465600000000, 0.0000091400000000, 0.0008776100000000 ] - [ 0.0011378700000000, -0.0013534700000000, 0.0002503300000000 ] - [ 0.0002170100000000, 0.0006572700000000, 0.0015151600000000 ] - [ 0.0053898700000000, -0.0062057800000000, 0.0042890700000000 ] - [ -0.0001573600000000, -0.0008943700000000, 0.0013938800000000 ] - [ -0.0001917400000000, -0.0008331400000000, 0.0014450200000000 ] - [ -0.0003451900000000, -0.0003878800000000, 0.0014058400000000 ] - [ -0.0003160600000000, -0.0004268300000000, 0.0014245300000000 ] - [ -0.0003066400000000, -0.0005096000000000, 0.0013793400000000 ] - [ -0.0004280500000000, -0.0004493800000000, 0.0013387100000000 ] - [ 0.0004367400000000, 0.0003291000000000, -0.0014399000000000 ] - [ 0.0005487900000000, 0.0000011600000000, -0.0011124400000000 ] - [ 0.0001376800000000, 0.0008526500000000, -0.0014854300000000 ] - [ 0.0001507600000000, 0.0009958600000000, -0.0014370400000000 ] - [ 0.0003168100000000, 0.0007110300000000, -0.0015144400000000 ] - [ -0.0004718500000000, 0.0023261800000000, -0.0015902500000000 ] - [ 0.0263180700000000, -0.2448337900000000, 0.2553502600000000 ] - [ 0.0014277000000000, -0.0007015200000000, 0.0005789000000000 ] - [ 0.0013326700000000, 0.0002514300000000, -0.0003557800000000 ] - [ 0.0013840400000000, -0.0002430100000000, 0.0001907400000000 ] - [ 0.0013334700000000, 0.0001884200000000, -0.0000391800000000 ] - [ 0.0013894700000000, -0.0003063700000000, 0.0001960700000000 ] - [ -0.0016636800000000, 0.0054722700000000, 0.0034350200000000 ] - [ -0.0001378100000000, 0.0007383100000000, 0.0015378700000000 ] - [ 0.0000485200000000, 0.0015395200000000, 0.0016168000000000 ] - [ -0.0001923600000000, 0.0008943300000000, 0.0015186000000000 ] - [ 0.0037894500000000, 0.0235356900000000, -0.0150634800000000 ] - [ -0.0005101100000000, 0.0003086300000000, 0.0014364600000000 ] - [ 0.0014943600000000, -0.0002024900000000, -0.0004414700000000 ] - [ 0.0013481900000000, -0.0000363200000000, -0.0001659000000000 ] - [ 0.0013941600000000, 0.0003405400000000, 0.0001158900000000 ] - [ 0.0014079000000000, 0.0003411100000000, 0.0001154100000000 ] - [ 0.0014304800000000, 0.0004424200000000, 0.0001237100000000 ] - [ 0.0013954700000000, 0.0004043500000000, 0.0001480200000000 ] - [ -0.0000783900000000, -0.0011443400000000, -0.0017192100000000 ] - [ 0.0001961100000000, -0.0007924000000000, -0.0013766100000000 ] - [ 0.0000493500000000, -0.0005615300000000, -0.0014221900000000 ] - [ 0.0005175700000000, -0.0003632500000000, -0.0014162100000000 ] - [ 0.0003908300000000, -0.0003498000000000, -0.0013750900000000 ] - [ 0.0003917400000000, -0.0003150700000000, -0.0013795200000000 ] - [ -0.0014103000000000, -0.0005067800000000, -0.0003159300000000 ] - [ -0.0014688900000000, -0.0003286300000000, 0.0000176400000000 ] - [ -0.0014171700000000, -0.0001753200000000, -0.0000881100000000 ] - [ -0.0014042700000000, 0.0001360300000000, 0.0001027000000000 ] - [ -0.0013610300000000, -0.0004581700000000, -0.0003911800000000 ] - [ -0.0017781100000000, -0.0002760500000000, -0.0010713200000000 ] - [ -0.0022589500000000, 0.0008876800000000, -0.0008407100000000 ] - [ -0.0009245300000000, 0.0004806100000000, -0.0007499800000000 ] - [ -0.0014573600000000, 0.0005608900000000, -0.0003875500000000 ] - [ -0.0013762300000000, 0.0005902800000000, -0.0003977000000000 ] - [ -0.0012951100000000, -0.0000419700000000, 0.0004099900000000 ] - [ -0.0014857400000000, 0.0001475000000000, 0.0002401900000000 ] - [ 0.0055491600000000, -0.0090613400000000, 0.0003966700000000 ] - [ 0.0002503200000000, -0.0000398500000000, -0.0003240100000000 ] - [ -0.0005022600000000, 0.0005585000000000, 0.0004896500000000 ] - [ 0.0003796900000000, 0.0001713300000000, -0.0002713300000000 ] - [ 0.0001824100000000, 0.0005400300000000, -0.0001414400000000 ] - [ 0.0001025300000000, 0.0002502700000000, -0.0001967700000000 ] - [ -0.0067893300000000, 0.0090918700000000, -0.0127291600000000 ] - [ 0.0003177100000000, -0.0005812400000000, 0.0006397400000000 ] - [ 0.0005870100000000, -0.0009202800000000, 0.0013944500000000 ] - [ 0.0002868900000000, -0.0005118600000000, 0.0006519700000000 ] - [ -0.0001160400000000, 0.0006017900000000, -0.0000961400000000 ] - [ 0.0000539200000000, -0.0000049800000000, 0.0002452600000000 ] - [ 0.0005380400000000, -0.0001499300000000, -0.0006286300000000 ] - [ 0.0003417500000000, -0.0001954700000000, -0.0004297200000000 ] - [ 0.0005141500000000, 0.0001168300000000, -0.0005819700000000 ] - [ 0.0005038200000000, 0.0000820100000000, -0.0005250600000000 ] - [ 0.0004580200000000, 0.0000311000000000, -0.0005010900000000 ] - [ 0.0004467700000000, -0.0000041600000000, -0.0004728700000000 ] - [ 0.0014405000000000, -0.0003438000000000, -0.0007380000000000 ] - [ -0.0006062400000000, -0.0003304800000000, 0.0001324400000000 ] - [ -0.0001653800000000, -0.0002729400000000, 0.0001873700000000 ] - [ -0.0001385400000000, -0.0003146600000000, 0.0001597000000000 ] - [ -0.0000666600000000, -0.0004601100000000, 0.0003627000000000 ] - [ -0.0000572600000000, -0.0004702100000000, 0.0001427300000000 ] - [ -0.0005192900000000, 0.0007894900000000, -0.0010535100000000 ] - [ -0.0003269300000000, 0.0008036200000000, -0.0012159300000000 ] - [ -0.0003075700000000, 0.0005708300000000, -0.0006496000000000 ] - [ -0.0002994200000000, 0.0006263800000000, -0.0006840300000000 ] - [ -0.0001151800000000, 0.0000855200000000, -0.0002879200000000 ] - [ -0.0000134000000000, -0.0000477000000000, -0.0002056300000000 ] - [ -0.0005956100000000, -0.0000903800000000, 0.0002160000000000 ] - [ 0.0001252200000000, -0.0003836600000000, -0.0001906000000000 ] - [ -0.0004938100000000, -0.0000056300000000, 0.0004381300000000 ] - [ -0.0004039700000000, -0.0000223700000000, 0.0004173800000000 ] - [ -0.0003038900000000, -0.0001090400000000, 0.0003512600000000 ] - [ -0.0004134800000000, -0.0000361900000000, 0.0004300700000000 ] - [ -0.0002751700000000, -0.0006259600000000, -0.0005820000000000 ] - [ 0.0012373600000000, -0.0036643600000000, 0.0050957600000000 ] - [ -0.0000881400000000, -0.0000391000000000, -0.0001665400000000 ] - [ 0.0004003500000000, 0.0011191600000000, 0.0009488600000000 ] - [ -0.0000143600000000, -0.0000624500000000, -0.0002110100000000 ] - [ 0.0000467200000000, 0.0012436200000000, 0.0002192400000000 ] - [ 0.0001867700000000, 0.0003074900000000, -0.0000771000000000 ] - [ -0.0118697000000000, 0.0039796700000000, -0.0030358900000000 ] - [ -0.0001692400000000, 0.0004875300000000, -0.0000323600000000 ] - [ 0.0003642300000000, 0.0003101700000000, -0.0000572700000000 ] - [ -0.0000152000000000, 0.0005693600000000, -0.0001292100000000 ] - [ -0.0003065600000000, 0.0008048600000000, 0.0000016000000000 ] - [ 0.0000314200000000, -0.0004175600000000, -0.0006819900000000 ] - [ -0.0002402500000000, -0.0003786100000000, -0.0003275600000000 ] - [ 0.0002809300000000, 0.0006193700000000, 0.0004860000000000 ] - [ 0.0002480200000000, 0.0005528900000000, 0.0004818300000000 ] - [ 0.0001856000000000, 0.0003109000000000, 0.0004133000000000 ] - [ 0.0001045300000000, 0.0001796700000000, 0.0002697200000000 ] - [ -0.0004941300000000, -0.0001093300000000, 0.0004725000000000 ] - [ -0.0004729200000000, -0.0000998400000000, 0.0006402800000000 ] - [ -0.0003232800000000, 0.0001749400000000, 0.0003348500000000 ] - [ -0.0002456900000000, 0.0002927900000000, 0.0003158800000000 ] - [ 0.0003794000000000, 0.0003675700000000, -0.0000451800000000 ] - [ -0.0010408100000000, 0.0005385600000000, 0.0000897300000000 ] - [ -0.0005138100000000, 0.0001866200000000, 0.0003207000000000 ] - [ -0.0000669500000000, 0.0004405200000000, 0.0001210600000000 ] - [ 0.0001359300000000, 0.0006447900000000, 0.0001657300000000 ] - [ 0.0000037100000000, 0.0005140900000000, 0.0001233800000000 ] - [ 0.0002132200000000, 0.0011670100000000, -0.0003794000000000 ] - [ 0.0000007300000000, 0.0003911100000000, 0.0001826800000000 ] - [ -0.0000623400000000, -0.0004897100000000, -0.0002148400000000 ] - [ 0.0000929300000000, -0.0005141800000000, -0.0003021400000000 ] - [ 0.0000820500000000, -0.0003605400000000, -0.0001457500000000 ] - [ 0.0001382900000000, -0.0003478500000000, -0.0001664200000000 ] - [ 0.0000487300000000, -0.0004675300000000, -0.0001830400000000 ] - [ 0.0002780000000000, -0.0003480200000000, -0.0002975700000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008266700000000, -0.0024903800000000, -0.0026990300000000 ] - [ -0.0014432600000000, -0.0020492600000000, -0.0018353200000000 ] - [ -0.0012879600000000, 0.0000306600000000, -0.0015554600000000 ] - [ -0.0013294900000000, -0.0001020300000000, -0.0014106800000000 ] - [ -0.0009765700000000, -0.0001710700000000, -0.0014667700000000 ] - [ -0.0014825500000000, -0.0003454400000000, -0.0014435100000000 ] - [ -0.0009087900000000, -0.0002027600000000, -0.0007354500000000 ] - [ 0.0039273500000000, -0.0009400800000000, -0.0017446800000000 ] - [ 0.0011496600000000, 0.0001710600000000, 0.0008012200000000 ] - [ 0.0012819800000000, 0.0003207400000000, 0.0007450800000000 ] - [ 0.0012636900000000, -0.0020721700000000, 0.0015902100000000 ] - [ 0.0011608200000000, -0.0014194500000000, 0.0018742200000000 ] - [ 0.0169359000000000, -0.2260080700000000, 0.2399108200000000 ] - [ -0.0016367700000000, -0.0004001500000000, -0.0002986600000000 ] - [ -0.0012355600000000, 0.0046767500000000, 0.0017820200000000 ] - [ -0.0012529100000000, 0.0012687600000000, -0.0003028400000000 ] - [ -0.0012381400000000, 0.0046337800000000, -0.0004046700000000 ] - [ -0.0014686600000000, 0.0017271000000000, -0.0006144700000000 ] - [ 0.0014111000000000, -0.0001292900000000, 0.0008233300000000 ] - [ 0.0013090800000000, -0.0001691900000000, 0.0030574300000000 ] - [ 0.0011707900000000, 0.0017301500000000, 0.0009942200000000 ] - [ 0.0013721600000000, 0.0030918500000000, 0.0016119200000000 ] - [ 0.0023139800000000, 0.0010572600000000, 0.0003647100000000 ] - [ -0.0028782000000000, 0.0079482400000000, -0.0024007800000000 ] - [ -0.0003957700000000, -0.0002946000000000, 0.0015129400000000 ] - [ -0.0003381300000000, -0.0003704700000000, 0.0014699300000000 ] - [ -0.0001816700000000, -0.0008849600000000, 0.0015381400000000 ] - [ -0.0001720400000000, -0.0008445400000000, 0.0015267900000000 ] - [ -0.0002540200000000, -0.0007537900000000, 0.0015170900000000 ] - [ -0.0000831600000000, -0.0008690000000000, 0.0015730400000000 ] - [ 0.0000887000000000, 0.0009658700000000, -0.0014785300000000 ] - [ 0.0000006100000000, 0.0012668700000000, -0.0017978600000000 ] - [ 0.0003556600000000, 0.0004322300000000, -0.0014433100000000 ] - [ 0.0003810700000000, 0.0002592900000000, -0.0014834000000000 ] - [ 0.0002163800000000, 0.0004846700000000, -0.0013946700000000 ] - [ 0.0010268900000000, -0.0011054900000000, -0.0013238300000000 ] - [ -0.0244679700000000, 0.2491343100000000, -0.2658309400000000 ] - [ 0.0014198200000000, 0.0000727800000000, -0.0002483300000000 ] - [ 0.0014392700000000, -0.0007964000000000, 0.0006465900000000 ] - [ 0.0014258200000000, -0.0003176900000000, 0.0001255300000000 ] - [ 0.0014556300000000, -0.0008832000000000, 0.0003573000000000 ] - [ 0.0014159800000000, -0.0003845500000000, 0.0001182400000000 ] - [ 0.0010347900000000, -0.0042144900000000, -0.0005206600000000 ] - [ -0.0003914800000000, 0.0004896300000000, 0.0013589900000000 ] - [ -0.0006250700000000, -0.0002931000000000, 0.0012713400000000 ] - [ -0.0003499900000000, 0.0003618800000000, 0.0013840200000000 ] - [ -0.0044865700000000, -0.0228686200000000, 0.0184237400000000 ] - [ -0.0000004400000000, 0.0009193700000000, 0.0015096800000000 ] - [ 0.0013044200000000, 0.0007588700000000, 0.0007564700000000 ] - [ 0.0014399000000000, 0.0006150500000000, 0.0005087500000000 ] - [ 0.0014399100000000, 0.0003198200000000, 0.0002487200000000 ] - [ 0.0014278400000000, 0.0003174000000000, 0.0002480700000000 ] - [ 0.0013567600000000, 0.0002364100000000, 0.0001742800000000 ] - [ 0.0014191600000000, 0.0003023200000000, 0.0002063300000000 ] - [ 0.0005950300000000, -0.0000813000000000, -0.0012091000000000 ] - [ 0.0003484600000000, -0.0004324200000000, -0.0015405600000000 ] - [ 0.0004796700000000, -0.0006884100000000, -0.0015064800000000 ] - [ 0.0000423700000000, -0.0008922700000000, -0.0015088000000000 ] - [ 0.0001316200000000, -0.0008895200000000, -0.0015301000000000 ] - [ 0.0001840000000000, -0.0008846100000000, -0.0015009500000000 ] - [ -0.0014061800000000, -0.0001846300000000, -0.0000158400000000 ] - [ -0.0013210600000000, -0.0003743200000000, -0.0003542900000000 ] - [ -0.0014315800000000, -0.0004576300000000, -0.0002370100000000 ] - [ -0.0014092800000000, -0.0007665900000000, -0.0004350100000000 ] - [ -0.0014420300000000, -0.0001295400000000, 0.0000621600000000 ] - [ -0.0010040600000000, -0.0003189700000000, 0.0007086700000000 ] - [ -0.0005385400000000, -0.0001826000000000, 0.0005002400000000 ] - [ -0.0018804300000000, 0.0002430300000000, 0.0003946400000000 ] - [ -0.0013391000000000, 0.0000207700000000, 0.0000271500000000 ] - [ -0.0014038600000000, -0.0000247400000000, 0.0000781600000000 ] - [ -0.0015402200000000, 0.0006389400000000, -0.0007185400000000 ] - [ -0.0013294100000000, 0.0004388800000000, -0.0005043300000000 ] - [ -0.0048728700000000, 0.0092818200000000, -0.0012076000000000 ] - [ 0.0005262600000000, 0.0001254900000000, -0.0004083200000000 ] - [ 0.0012514200000000, -0.0003295900000000, -0.0012492200000000 ] - [ 0.0003971000000000, 0.0000599400000000, -0.0004765300000000 ] - [ 0.0005806500000000, -0.0004169100000000, -0.0006275200000000 ] - [ 0.0006871600000000, -0.0001328000000000, -0.0005832200000000 ] - [ 0.0072287700000000, -0.0098601900000000, 0.0136678200000000 ] - [ 0.0000331100000000, -0.0000823700000000, 0.0001838600000000 ] - [ -0.0002432300000000, 0.0003367100000000, -0.0006044100000000 ] - [ 0.0000430700000000, -0.0000488500000000, 0.0001268800000000 ] - [ 0.0004815600000000, -0.0011860600000000, 0.0009214900000000 ] - [ 0.0003018400000000, -0.0005827000000000, 0.0005868600000000 ] - [ 0.0002122600000000, -0.0000468400000000, -0.0001318000000000 ] - [ 0.0004559000000000, 0.0000016100000000, -0.0003473500000000 ] - [ 0.0002234400000000, -0.0002030600000000, -0.0001629300000000 ] - [ 0.0003009300000000, -0.0001646300000000, -0.0002276200000000 ] - [ 0.0002731500000000, -0.0001796300000000, -0.0002567200000000 ] - [ 0.0003487400000000, -0.0001558400000000, -0.0002728100000000 ] - [ -0.0015555000000000, -0.0006124800000000, 0.0009696700000000 ] - [ 0.0005438100000000, -0.0006266700000000, 0.0000960900000000 ] - [ 0.0000442200000000, -0.0005341900000000, 0.0001098200000000 ] - [ 0.0000591900000000, -0.0004851600000000, 0.0001244400000000 ] - [ -0.0000342200000000, -0.0004318700000000, -0.0001414000000000 ] - [ -0.0000033200000000, -0.0004318700000000, 0.0000619700000000 ] - [ 0.0001533800000000, -0.0001712500000000, 0.0002272300000000 ] - [ -0.0000332900000000, -0.0001915700000000, 0.0003779800000000 ] - [ -0.0000281900000000, -0.0000149100000000, -0.0001226100000000 ] - [ -0.0000334100000000, -0.0000589100000000, -0.0000904900000000 ] - [ -0.0002596800000000, 0.0005656900000000, -0.0005386700000000 ] - [ -0.0003477300000000, 0.0006907200000000, -0.0006245000000000 ] - [ -0.0002008600000000, -0.0000092700000000, 0.0005476400000000 ] - [ -0.0008553100000000, 0.0002812600000000, 0.0009291800000000 ] - [ -0.0003169500000000, -0.0002206100000000, 0.0003352600000000 ] - [ -0.0003342500000000, -0.0002041800000000, 0.0003508900000000 ] - [ -0.0004981700000000, -0.0000096600000000, 0.0004013900000000 ] - [ -0.0003470600000000, -0.0000675200000000, 0.0003261000000000 ] - [ -0.0000914500000000, 0.0000349900000000, -0.0002485800000000 ] - [ -0.0016024800000000, 0.0030452000000000, -0.0059435700000000 ] - [ -0.0002770600000000, -0.0005791200000000, -0.0006587500000000 ] - [ -0.0007672900000000, -0.0017474300000000, -0.0017676600000000 ] - [ -0.0003263500000000, -0.0005328500000000, -0.0005668900000000 ] - [ -0.0003701800000000, -0.0018232300000000, -0.0009847700000000 ] - [ -0.0000941000000000, 0.0005585100000000, -0.0001392000000000 ] - [ 0.0121391000000000, -0.0031127900000000, 0.0028408500000000 ] - [ 0.0002875400000000, 0.0003153000000000, -0.0002895900000000 ] - [ -0.0002545700000000, 0.0004816000000000, -0.0002357900000000 ] - [ 0.0000846600000000, 0.0004120400000000, -0.0001492500000000 ] - [ 0.0004030700000000, 0.0001861000000000, -0.0002574800000000 ] - [ 0.0002944400000000, 0.0010134300000000, 0.0014447100000000 ] - [ 0.0005818900000000, 0.0009794100000000, 0.0010916000000000 ] - [ 0.0000730800000000, 0.0000129300000000, 0.0003407500000000 ] - [ 0.0001262800000000, 0.0000790300000000, 0.0003374700000000 ] - [ 0.0001683200000000, 0.0002784300000000, 0.0004243700000000 ] - [ 0.0002685700000000, 0.0003835700000000, 0.0005650900000000 ] - [ -0.0002710200000000, 0.0002534000000000, 0.0002819300000000 ] - [ -0.0002807100000000, 0.0002358600000000, 0.0001352000000000 ] - [ -0.0004686500000000, -0.0000680600000000, 0.0004157400000000 ] - [ -0.0005006200000000, -0.0001729800000000, 0.0004389700000000 ] - [ -0.0011548200000000, -0.0001859700000000, 0.0008037100000000 ] - [ 0.0002725300000000, -0.0003525100000000, 0.0006925300000000 ] - [ 0.0004299200000000, 0.0008021300000000, -0.0000532300000000 ] - [ -0.0000500400000000, 0.0005497200000000, 0.0001536500000000 ] - [ -0.0002213500000000, 0.0002448500000000, 0.0000540200000000 ] - [ -0.0000818800000000, 0.0003805400000000, 0.0001137400000000 ] - [ -0.0002946600000000, -0.0003763400000000, 0.0006584100000000 ] - [ -0.0001244300000000, 0.0003732900000000, 0.0001030700000000 ] - [ 0.0001428300000000, -0.0002844800000000, -0.0000462000000000 ] - [ 0.0000267300000000, -0.0002676900000000, 0.0000070000000000 ] - [ -0.0000276100000000, -0.0005171100000000, -0.0000369800000000 ] - [ -0.0000426800000000, -0.0005523200000000, -0.0000381700000000 ] - [ 0.0000373200000000, -0.0005392200000000, -0.0000771000000000 ] - [ -0.0001848700000000, -0.0006388500000000, 0.0000122600000000 ]- atom: 37 displacement: [ -0.0017265176572465, 0.0000000000000000, 0.0098498292766533 ] forces: - [ -0.0003861400000000, -0.0021890000000000, -0.0044860900000000 ] - [ -0.0014893600000000, -0.0017350700000000, -0.0022572100000000 ] - [ -0.0012769900000000, 0.0002527200000000, -0.0020820300000000 ] - [ -0.0013947900000000, -0.0001183700000000, -0.0017143600000000 ] - [ -0.0010850400000000, -0.0007243800000000, -0.0018944500000000 ] - [ -0.0013963500000000, -0.0006277000000000, -0.0016188000000000 ] - [ -0.0015224200000000, 0.0003960300000000, -0.0003952800000000 ] - [ 0.0047785200000000, 0.0008819400000000, -0.0024103600000000 ] - [ 0.0011995500000000, -0.0000898500000000, 0.0009319800000000 ] - [ 0.0011896200000000, 0.0000124600000000, 0.0009217300000000 ] - [ 0.0006967400000000, -0.0023298600000000, 0.0014577800000000 ] - [ 0.0030111300000000, -0.0029022500000000, 0.0005871300000000 ] - [ 0.0334927700000000, -0.2480164400000000, 0.3718077600000000 ] - [ -0.0010906000000000, 0.0000519400000000, 0.0001215800000000 ] - [ -0.0010601900000000, 0.0026976500000000, 0.0018127000000000 ] - [ -0.0012824200000000, 0.0010905000000000, -0.0000092300000000 ] - [ -0.0013816100000000, 0.0039597300000000, -0.0003515400000000 ] - [ -0.0013445000000000, 0.0014931100000000, -0.0004598200000000 ] - [ 0.0020047100000000, -0.0001385300000000, 0.0005615600000000 ] - [ 0.0003980600000000, -0.0034684200000000, -0.0013001700000000 ] - [ 0.0012860400000000, 0.0014082700000000, 0.0009030100000000 ] - [ 0.0013123800000000, 0.0021750800000000, 0.0011643100000000 ] - [ 0.0025060800000000, 0.0012784700000000, 0.0002239700000000 ] - [ -0.0027807000000000, 0.0074335300000000, -0.0018120500000000 ] - [ -0.0002991100000000, -0.0005497200000000, 0.0016915600000000 ] - [ -0.0002084200000000, -0.0005916500000000, 0.0015842600000000 ] - [ -0.0001375000000000, -0.0009712300000000, 0.0015679200000000 ] - [ -0.0001239500000000, -0.0009040100000000, 0.0015557900000000 ] - [ -0.0002219300000000, -0.0007401800000000, 0.0015654000000000 ] - [ -0.0000832700000000, -0.0008835900000000, 0.0016011800000000 ] - [ -0.0000414500000000, 0.0010517200000000, -0.0014577100000000 ] - [ 0.0002971300000000, 0.0012852900000000, -0.0011869400000000 ] - [ 0.0002729100000000, 0.0005872900000000, -0.0014691500000000 ] - [ 0.0003156100000000, 0.0005228200000000, -0.0015049900000000 ] - [ 0.0001946500000000, 0.0005129800000000, -0.0013989800000000 ] - [ 0.0009520000000000, -0.0007954300000000, -0.0013748300000000 ] - [ -0.0316317400000000, 0.2590776500000000, -0.3807855000000000 ] - [ 0.0013873300000000, 0.0000277500000000, -0.0002439500000000 ] - [ 0.0014755800000000, -0.0004993800000000, 0.0002721400000000 ] - [ 0.0014227800000000, -0.0002913800000000, 0.0001044000000000 ] - [ 0.0015158700000000, -0.0009044700000000, 0.0003071100000000 ] - [ 0.0013911900000000, -0.0003678600000000, 0.0001065800000000 ] - [ -0.0007030100000000, 0.0007450800000000, 0.0009761000000000 ] - [ -0.0003505600000000, 0.0005374600000000, 0.0013355900000000 ] - [ -0.0005423400000000, -0.0000291000000000, 0.0013381600000000 ] - [ -0.0002978100000000, 0.0004952500000000, 0.0014170700000000 ] - [ -0.0093488000000000, -0.0106119500000000, -0.0157153100000000 ] - [ -0.0001522700000000, 0.0007544200000000, 0.0014615000000000 ] - [ 0.0012625400000000, 0.0009392500000000, 0.0011185600000000 ] - [ 0.0014356700000000, 0.0006794000000000, 0.0006219400000000 ] - [ 0.0014209600000000, 0.0004614100000000, 0.0005106600000000 ] - [ 0.0014606200000000, 0.0004629500000000, 0.0004477500000000 ] - [ 0.0013514500000000, 0.0004383600000000, 0.0003697400000000 ] - [ 0.0014211800000000, 0.0004351500000000, 0.0003448600000000 ] - [ 0.0009379400000000, 0.0003293300000000, -0.0013990800000000 ] - [ 0.0001702400000000, -0.0004079300000000, -0.0014371700000000 ] - [ 0.0003915600000000, -0.0008795000000000, -0.0015798000000000 ] - [ -0.0001455500000000, -0.0013873100000000, -0.0016271400000000 ] - [ 0.0001210800000000, -0.0008737000000000, -0.0015408800000000 ] - [ 0.0001822100000000, -0.0008180200000000, -0.0014944200000000 ] - [ -0.0014214500000000, -0.0001707500000000, 0.0000167600000000 ] - [ -0.0014158700000000, 0.0003956200000000, 0.0004253800000000 ] - [ -0.0014358600000000, -0.0004486900000000, -0.0002458500000000 ] - [ -0.0014309000000000, -0.0006442600000000, -0.0003238000000000 ] - [ -0.0014473900000000, -0.0002041500000000, 0.0000131100000000 ] - [ -0.0010260300000000, -0.0005597200000000, 0.0004733000000000 ] - [ -0.0008449100000000, -0.0000977300000000, 0.0001585000000000 ] - [ -0.0022864100000000, -0.0002233600000000, 0.0006854600000000 ] - [ -0.0013658200000000, 0.0001556800000000, -0.0001411100000000 ] - [ -0.0013789900000000, 0.0001083600000000, -0.0001078900000000 ] - [ -0.0014652100000000, 0.0008867800000000, -0.0008739800000000 ] - [ -0.0014507300000000, 0.0007342100000000, -0.0006760200000000 ] - [ -0.0073221800000000, -0.0019774300000000, 0.0145744900000000 ] - [ 0.0006114100000000, 0.0000116400000000, -0.0005136700000000 ] - [ 0.0008219800000000, -0.0001237500000000, -0.0009339500000000 ] - [ 0.0004841000000000, 0.0000530800000000, -0.0005339700000000 ] - [ 0.0005510900000000, -0.0003350400000000, -0.0006129900000000 ] - [ 0.0006381500000000, -0.0001051700000000, -0.0005825800000000 ] - [ 0.0054920600000000, -0.0082908400000000, 0.0126433900000000 ] - [ -0.0000004200000000, -0.0001390400000000, 0.0001646200000000 ] - [ -0.0003085200000000, 0.0008241400000000, -0.0005971500000000 ] - [ -0.0000187100000000, 0.0000353900000000, 0.0000343900000000 ] - [ 0.0003965400000000, -0.0009301200000000, 0.0007597700000000 ] - [ 0.0002401200000000, -0.0004741000000000, 0.0004888000000000 ] - [ -0.0000696000000000, -0.0001748500000000, 0.0003062500000000 ] - [ 0.0003244400000000, -0.0000708300000000, -0.0002354800000000 ] - [ 0.0001860600000000, -0.0002713900000000, -0.0000822200000000 ] - [ 0.0002587800000000, -0.0001943900000000, -0.0001717900000000 ] - [ 0.0003112400000000, -0.0001228400000000, -0.0002585400000000 ] - [ 0.0003313700000000, -0.0001314300000000, -0.0002560100000000 ] - [ -0.0014823300000000, -0.0008076300000000, 0.0008021900000000 ] - [ 0.0006100400000000, -0.0006430400000000, 0.0000966300000000 ] - [ 0.0000871200000000, -0.0005113800000000, 0.0000827700000000 ] - [ 0.0000330500000000, -0.0004572600000000, 0.0001156900000000 ] - [ -0.0013282800000000, 0.0006430900000000, 0.0006297900000000 ] - [ 0.0000888100000000, -0.0004731400000000, 0.0000690600000000 ] - [ 0.0002224700000000, -0.0002755900000000, 0.0003221100000000 ] - [ 0.0000804200000000, -0.0005550400000000, 0.0007921300000000 ] - [ -0.0000721100000000, 0.0000766800000000, -0.0001938300000000 ] - [ -0.0000771900000000, 0.0000769400000000, -0.0001685500000000 ] - [ -0.0001905500000000, 0.0004652000000000, -0.0004359400000000 ] - [ -0.0003105000000000, 0.0005106500000000, -0.0002253500000000 ] - [ 0.0002330700000000, -0.0002564200000000, 0.0003891300000000 ] - [ -0.0010304100000000, 0.0002965300000000, 0.0010468400000000 ] - [ -0.0003251700000000, -0.0002054000000000, 0.0003339900000000 ] - [ -0.0003441300000000, -0.0001940500000000, 0.0003560900000000 ] - [ -0.0004581200000000, 0.0000210700000000, 0.0004427700000000 ] - [ -0.0006161700000000, 0.0001297100000000, 0.0006643700000000 ] - [ -0.0002666400000000, -0.0001588000000000, -0.0004152600000000 ] - [ 0.0060351600000000, 0.0053826000000000, 0.0077122800000000 ] - [ -0.0002681600000000, -0.0005072800000000, -0.0006133100000000 ] - [ -0.0005274300000000, -0.0010446800000000, -0.0011731300000000 ] - [ -0.0003559800000000, -0.0005607900000000, -0.0005998500000000 ] - [ -0.0002673300000000, -0.0016087100000000, -0.0008648100000000 ] - [ -0.0003323400000000, 0.0005758700000000, -0.0001233900000000 ] - [ 0.0064281200000000, 0.0009664800000000, -0.0073688300000000 ] - [ 0.0001939600000000, 0.0003430500000000, -0.0002893000000000 ] - [ 0.0000436700000000, 0.0003493100000000, -0.0004308900000000 ] - [ 0.0000301500000000, 0.0004360500000000, -0.0001532900000000 ] - [ 0.0004138000000000, 0.0002363600000000, -0.0002716700000000 ] - [ 0.0000138300000000, 0.0008178500000000, 0.0020031700000000 ] - [ 0.0006163800000000, 0.0009491000000000, 0.0011320200000000 ] - [ 0.0001118600000000, 0.0000423300000000, 0.0004128600000000 ] - [ 0.0001482900000000, 0.0001203400000000, 0.0003881600000000 ] - [ 0.0003114800000000, 0.0007414900000000, 0.0008691800000000 ] - [ 0.0003936000000000, 0.0005679600000000, 0.0007590900000000 ] - [ -0.0005633200000000, 0.0001676600000000, 0.0004548400000000 ] - [ 0.0000385700000000, 0.0004876000000000, 0.0002119400000000 ] - [ -0.0004895900000000, -0.0000480400000000, 0.0004312000000000 ] - [ -0.0004188200000000, -0.0000926300000000, 0.0004119800000000 ] - [ -0.0012613200000000, -0.0003142400000000, 0.0008681900000000 ] - [ 0.0002173000000000, -0.0001952600000000, 0.0004580800000000 ] - [ 0.0003067000000000, 0.0009298300000000, 0.0004149600000000 ] - [ -0.0000950600000000, 0.0005168600000000, 0.0001380200000000 ] - [ -0.0001804100000000, 0.0003107300000000, 0.0001098300000000 ] - [ -0.0000662200000000, 0.0004005100000000, 0.0001118700000000 ] - [ -0.0002113000000000, -0.0002740900000000, 0.0005869500000000 ] - [ -0.0001788700000000, 0.0003454000000000, 0.0001065400000000 ] - [ 0.0001595900000000, -0.0002966800000000, -0.0000107900000000 ] - [ -0.0002482000000000, -0.0003666300000000, 0.0002172400000000 ] - [ -0.0000253000000000, -0.0005128800000000, -0.0000187300000000 ] - [ -0.0001252700000000, -0.0005852400000000, 0.0000318000000000 ] - [ 0.0000250300000000, -0.0005252600000000, -0.0000547300000000 ] - [ -0.0001615400000000, -0.0005807800000000, 0.0000562000000000 ]- atom: 37 displacement: [ 0.0017265176572465, 0.0000000000000000, -0.0098498292766533 ] forces: - [ -0.0021280600000000, 0.0004651900000000, 0.0026227700000000 ] - [ -0.0010224700000000, 0.0000154200000000, 0.0003971200000000 ] - [ -0.0012255500000000, -0.0019951000000000, 0.0002317800000000 ] - [ -0.0011200400000000, -0.0015964500000000, -0.0001357400000000 ] - [ -0.0014336500000000, -0.0010106400000000, -0.0000175500000000 ] - [ -0.0011019100000000, -0.0011215500000000, -0.0002709100000000 ] - [ 0.0040311400000000, -0.0021107000000000, 0.0022584500000000 ] - [ -0.0022563800000000, -0.0025906800000000, 0.0042596600000000 ] - [ 0.0013167000000000, -0.0016404100000000, 0.0009635300000000 ] - [ 0.0013211800000000, -0.0017526700000000, 0.0009843200000000 ] - [ 0.0018145200000000, 0.0005742500000000, 0.0004054900000000 ] - [ -0.0005100800000000, 0.0011587300000000, 0.0012833100000000 ] - [ -0.0327893000000000, 0.2354358900000000, -0.3589146200000000 ] - [ -0.0014131800000000, 0.0016556100000000, -0.0019679100000000 ] - [ -0.0014394400000000, -0.0009162300000000, -0.0036916400000000 ] - [ -0.0012299300000000, 0.0006414500000000, -0.0018743800000000 ] - [ -0.0011301100000000, -0.0022021300000000, -0.0015573300000000 ] - [ -0.0011811800000000, 0.0002494200000000, -0.0014622000000000 ] - [ 0.0005106600000000, 0.0018801700000000, 0.0013189700000000 ] - [ 0.0021088900000000, 0.0052262600000000, 0.0032205600000000 ] - [ 0.0012213900000000, 0.0003363600000000, 0.0009618400000000 ] - [ 0.0011909400000000, -0.0004226000000000, 0.0006940100000000 ] - [ 0.0000218300000000, 0.0004349200000000, 0.0016490500000000 ] - [ 0.0052773500000000, -0.0056872900000000, 0.0036893600000000 ] - [ -0.0002216000000000, -0.0006931900000000, 0.0012314600000000 ] - [ -0.0002870800000000, -0.0006685200000000, 0.0013496100000000 ] - [ -0.0003548500000000, -0.0003621300000000, 0.0013986500000000 ] - [ -0.0003229600000000, -0.0004292500000000, 0.0014188000000000 ] - [ -0.0003008500000000, -0.0005890400000000, 0.0013483000000000 ] - [ -0.0003911700000000, -0.0004989100000000, 0.0013315500000000 ] - [ 0.0005289500000000, 0.0003081300000000, -0.0014836900000000 ] - [ 0.0002154100000000, 0.0000394300000000, -0.0017475600000000 ] - [ 0.0001851400000000, 0.0007595400000000, -0.0014799900000000 ] - [ 0.0001809600000000, 0.0007940800000000, -0.0014375300000000 ] - [ 0.0003071600000000, 0.0007343600000000, -0.0015262500000000 ] - [ -0.0004437200000000, 0.0020908800000000, -0.0015646300000000 ] - [ 0.0315261100000000, -0.2455471600000000, 0.3665774300000000 ] - [ 0.0014662200000000, -0.0007014700000000, 0.0006340800000000 ] - [ 0.0012944200000000, -0.0000873800000000, 0.0000765900000000 ] - [ 0.0013903500000000, -0.0003060000000000, 0.0002592500000000 ] - [ 0.0012772800000000, 0.0001554500000000, 0.0000751200000000 ] - [ 0.0014142900000000, -0.0003717600000000, 0.0002681400000000 ] - [ 0.0001673300000000, 0.0005129300000000, 0.0019153200000000 ] - [ -0.0001481300000000, 0.0007410800000000, 0.0015775100000000 ] - [ -0.0000004300000000, 0.0013277800000000, 0.0015679400000000 ] - [ -0.0002079900000000, 0.0008256500000000, 0.0015024900000000 ] - [ 0.0086049000000000, 0.0118167600000000, 0.0182092200000000 ] - [ -0.0003212500000000, 0.0005299800000000, 0.0015101600000000 ] - [ 0.0015421500000000, -0.0003493200000000, -0.0007556000000000 ] - [ 0.0013514200000000, -0.0000544400000000, -0.0002220800000000 ] - [ 0.0014146200000000, 0.0002478500000000, -0.0000850100000000 ] - [ 0.0013782300000000, 0.0002474300000000, -0.0000219700000000 ] - [ 0.0014354100000000, 0.0002900500000000, -0.0000159800000000 ] - [ 0.0013979500000000, 0.0003124300000000, 0.0000689400000000 ] - [ -0.0004657200000000, -0.0016140800000000, -0.0015514400000000 ] - [ 0.0003438500000000, -0.0008759300000000, -0.0014964100000000 ] - [ 0.0001053000000000, -0.0004202800000000, -0.0013717300000000 ] - [ 0.0006750900000000, 0.0000876600000000, -0.0013175800000000 ] - [ 0.0003706400000000, -0.0004182500000000, -0.0013849200000000 ] - [ 0.0003633600000000, -0.0004342500000000, -0.0014018600000000 ] - [ -0.0013982200000000, -0.0005585500000000, -0.0004056300000000 ] - [ -0.0013766700000000, -0.0011450600000000, -0.0008281100000000 ] - [ -0.0014158900000000, -0.0002294700000000, -0.0001367700000000 ] - [ -0.0013842600000000, -0.0000362700000000, -0.0000757700000000 ] - [ -0.0013548100000000, -0.0004316500000000, -0.0003979700000000 ] - [ -0.0017572600000000, -0.0000943700000000, -0.0009097000000000 ] - [ -0.0019443500000000, 0.0008401300000000, -0.0005474100000000 ] - [ -0.0005225700000000, 0.0009823000000000, -0.0010856400000000 ] - [ -0.0014307500000000, 0.0004591100000000, -0.0002718800000000 ] - [ -0.0014051400000000, 0.0004995500000000, -0.0002668600000000 ] - [ -0.0013731500000000, -0.0002585700000000, 0.0005201500000000 ] - [ -0.0013622600000000, -0.0001114300000000, 0.0003633800000000 ] - [ 0.0078485200000000, 0.0020869400000000, -0.0150098900000000 ] - [ 0.0001692300000000, 0.0000688200000000, -0.0002238100000000 ] - [ -0.0000513000000000, 0.0003487000000000, 0.0001568200000000 ] - [ 0.0003043100000000, 0.0001736400000000, -0.0002215600000000 ] - [ 0.0002220000000000, 0.0004535400000000, -0.0001599100000000 ] - [ 0.0001572200000000, 0.0002179700000000, -0.0002061900000000 ] - [ -0.0050858100000000, 0.0075757500000000, -0.0116282200000000 ] - [ 0.0003465700000000, -0.0005323500000000, 0.0006596900000000 ] - [ 0.0006486800000000, -0.0014027900000000, 0.0013796000000000 ] - [ 0.0003486300000000, -0.0005914800000000, 0.0007439800000000 ] - [ -0.0000281000000000, 0.0003420600000000, 0.0000723200000000 ] - [ 0.0001146500000000, -0.0001151400000000, 0.0003450400000000 ] - [ 0.0008269100000000, -0.0000202200000000, -0.0010753000000000 ] - [ 0.0004819100000000, -0.0001210600000000, -0.0005471600000000 ] - [ 0.0005602600000000, 0.0001911300000000, -0.0006688800000000 ] - [ 0.0005592600000000, 0.0001186700000000, -0.0005852900000000 ] - [ 0.0004233900000000, -0.0000231300000000, -0.0005063700000000 ] - [ 0.0004750400000000, -0.0000245700000000, -0.0005001400000000 ] - [ 0.0013703600000000, -0.0001496500000000, -0.0005656400000000 ] - [ -0.0006577900000000, -0.0003154800000000, 0.0001280200000000 ] - [ -0.0002042100000000, -0.0002923500000000, 0.0002127400000000 ] - [ -0.0000962600000000, -0.0003459000000000, 0.0001606100000000 ] - [ 0.0012543500000000, -0.0015465900000000, -0.0004180100000000 ] - [ -0.0001463100000000, -0.0004302200000000, 0.0001323200000000 ] - [ -0.0005868000000000, 0.0009047100000000, -0.0011499100000000 ] - [ -0.0004430500000000, 0.0011740300000000, -0.0016312600000000 ] - [ -0.0002627600000000, 0.0004731500000000, -0.0005809000000000 ] - [ -0.0002560000000000, 0.0004893100000000, -0.0006106700000000 ] - [ -0.0001893300000000, 0.0001939300000000, -0.0004007700000000 ] - [ -0.0000498500000000, 0.0001290700000000, -0.0006139400000000 ] - [ -0.0010406200000000, 0.0001628300000000, 0.0003843200000000 ] - [ 0.0002904800000000, -0.0003934800000000, -0.0002988900000000 ] - [ -0.0004983500000000, -0.0000148300000000, 0.0004455600000000 ] - [ -0.0003947700000000, -0.0000289000000000, 0.0004137100000000 ] - [ -0.0003472900000000, -0.0001412700000000, 0.0003107700000000 ] - [ -0.0001498400000000, -0.0002362100000000, 0.0000939400000000 ] - [ -0.0000995500000000, -0.0004301900000000, -0.0004184700000000 ] - [ -0.0063122500000000, -0.0059198200000000, -0.0084830100000000 ] - [ -0.0000960800000000, -0.0001088000000000, -0.0002121800000000 ] - [ 0.0001539600000000, 0.0004087100000000, 0.0003420400000000 ] - [ 0.0000114600000000, -0.0000409800000000, -0.0001823200000000 ] - [ -0.0000539600000000, 0.0010279000000000, 0.0001052800000000 ] - [ 0.0004061400000000, 0.0002950000000000, -0.0000896100000000 ] - [ -0.0062859000000000, -0.0000090800000000, 0.0070186400000000 ] - [ -0.0000874400000000, 0.0004618300000000, -0.0000306200000000 ] - [ 0.0000483800000000, 0.0004499000000000, 0.0001412100000000 ] - [ 0.0000283400000000, 0.0005472200000000, -0.0001243500000000 ] - [ -0.0003297900000000, 0.0007584800000000, 0.0000171900000000 ] - [ 0.0003132800000000, -0.0002149500000000, -0.0012419000000000 ] - [ -0.0002713000000000, -0.0003405700000000, -0.0003651300000000 ] - [ 0.0002370600000000, 0.0005871200000000, 0.0004139800000000 ] - [ 0.0002284400000000, 0.0005127200000000, 0.0004312100000000 ] - [ 0.0000398600000000, -0.0001606300000000, -0.0000352300000000 ] - [ -0.0000257000000000, -0.0000207800000000, 0.0000688400000000 ] - [ -0.0002073600000000, -0.0000255500000000, 0.0003018800000000 ] - [ -0.0008061600000000, -0.0003576800000000, 0.0005676300000000 ] - [ -0.0003058300000000, 0.0001521300000000, 0.0003247700000000 ] - [ -0.0003432000000000, 0.0002082100000000, 0.0003523600000000 ] - [ 0.0004809800000000, 0.0004894500000000, -0.0001036800000000 ] - [ -0.0010021300000000, 0.0003751400000000, 0.0003329600000000 ] - [ -0.0003662900000000, 0.0000627000000000, -0.0001571400000000 ] - [ -0.0000109900000000, 0.0004749700000000, 0.0001312900000000 ] - [ 0.0001091500000000, 0.0005840700000000, 0.0001033700000000 ] - [ -0.0000037800000000, 0.0004964300000000, 0.0001254100000000 ] - [ 0.0001517400000000, 0.0010682300000000, -0.0003099800000000 ] - [ 0.0000637500000000, 0.0004177100000000, 0.0001768600000000 ] - [ -0.0000861300000000, -0.0004780300000000, -0.0002444400000000 ] - [ 0.0003604300000000, -0.0004184200000000, -0.0005160400000000 ] - [ 0.0000675300000000, -0.0003637500000000, -0.0001600900000000 ] - [ 0.0002085100000000, -0.0003130400000000, -0.0002335300000000 ] - [ 0.0000449100000000, -0.0004913600000000, -0.0002019400000000 ] - [ 0.0002478100000000, -0.0004060100000000, -0.0003440700000000 ]- atom: 73 displacement: [ 0.0099998203540672, 0.0000000000000000, -0.0000599406905484 ] forces: - [ -0.0006319300000000, -0.0011423900000000, 0.0007324600000000 ] - [ -0.0019586000000000, -0.0014204200000000, -0.0004769800000000 ] - [ -0.0007589200000000, -0.0008172600000000, -0.0004524200000000 ] - [ -0.0017467300000000, -0.0005199600000000, -0.0006373000000000 ] - [ -0.0008680100000000, -0.0005726200000000, -0.0005935900000000 ] - [ -0.0016523100000000, -0.0006819300000000, -0.0006864500000000 ] - [ 0.0018525400000000, -0.0007520200000000, 0.0001973900000000 ] - [ 0.0005165100000000, -0.0017997000000000, 0.0022846500000000 ] - [ 0.0014694900000000, -0.0004187600000000, 0.0009946800000000 ] - [ 0.0011173900000000, -0.0005691300000000, 0.0011088400000000 ] - [ 0.0022749100000000, -0.0009708900000000, 0.0014257200000000 ] - [ -0.0000662800000000, -0.0001274800000000, 0.0026866000000000 ] - [ 0.1515803800000000, -0.0703900100000000, -0.1189689200000000 ] - [ -0.0073567100000000, -0.0002297800000000, -0.0015644900000000 ] - [ 0.0003908800000000, 0.0014080800000000, -0.0012644400000000 ] - [ -0.0023115500000000, 0.0021002400000000, -0.0019034800000000 ] - [ -0.0008815100000000, 0.0029818600000000, -0.0017251800000000 ] - [ -0.0018414000000000, 0.0005308700000000, -0.0014383700000000 ] - [ -0.0040303500000000, 0.0036607400000000, 0.0034664700000000 ] - [ 0.0042304400000000, -0.0025880600000000, -0.0055046600000000 ] - [ 0.0013219600000000, 0.0014766500000000, 0.0009552300000000 ] - [ 0.0011132000000000, 0.0015859000000000, 0.0008939800000000 ] - [ -0.0011558600000000, -0.0016796000000000, 0.0021300400000000 ] - [ 0.0004996800000000, 0.0040521200000000, -0.0018066900000000 ] - [ -0.0004331100000000, -0.0003864200000000, 0.0013021200000000 ] - [ -0.0001667700000000, -0.0006035400000000, 0.0014603000000000 ] - [ -0.0002800400000000, -0.0006693500000000, 0.0014898100000000 ] - [ -0.0001374600000000, -0.0008079500000000, 0.0015109800000000 ] - [ -0.0003417200000000, -0.0006135600000000, 0.0013921600000000 ] - [ -0.0001254900000000, -0.0007972600000000, 0.0014862000000000 ] - [ 0.0015694300000000, -0.0004781800000000, -0.0019670500000000 ] - [ 0.0001174500000000, 0.0010920700000000, -0.0009718700000000 ] - [ 0.0002587500000000, 0.0004351200000000, -0.0014300000000000 ] - [ 0.0003253600000000, 0.0005599000000000, -0.0014734400000000 ] - [ 0.0001150900000000, 0.0012045900000000, -0.0016621600000000 ] - [ 0.0005762300000000, -0.0001437800000000, -0.0013673500000000 ] - [ 0.0005254500000000, 0.0049127000000000, -0.0077649400000000 ] - [ 0.0017561600000000, -0.0004956000000000, 0.0004933300000000 ] - [ 0.0013456900000000, -0.0005169500000000, 0.0003639600000000 ] - [ 0.0014397200000000, -0.0006171500000000, 0.0004603900000000 ] - [ 0.0014948700000000, -0.0012812900000000, 0.0006910500000000 ] - [ 0.0014367900000000, -0.0004032200000000, 0.0003236900000000 ] - [ -0.0009315400000000, 0.0002651400000000, 0.0017095600000000 ] - [ -0.0000765100000000, 0.0006443300000000, 0.0015585300000000 ] - [ -0.0005270800000000, 0.0001754900000000, 0.0014231000000000 ] - [ -0.0001569900000000, 0.0007506300000000, 0.0014701500000000 ] - [ -0.0086169700000000, -0.0061408500000000, 0.0014214000000000 ] - [ 0.0006210300000000, 0.0014216500000000, 0.0016389900000000 ] - [ 0.0013187300000000, 0.0001542800000000, -0.0002440500000000 ] - [ 0.0014866500000000, 0.0003994000000000, 0.0001827600000000 ] - [ 0.0013199000000000, 0.0002391800000000, 0.0000491700000000 ] - [ 0.0015070900000000, 0.0002749200000000, 0.0001097300000000 ] - [ 0.0013643200000000, 0.0002987900000000, 0.0001627700000000 ] - [ 0.0014534900000000, 0.0003334700000000, 0.0001644500000000 ] - [ -0.0001100600000000, -0.0008172800000000, -0.0015419500000000 ] - [ 0.0003973000000000, -0.0007464000000000, -0.0016169300000000 ] - [ 0.0000745300000000, -0.0008202900000000, -0.0015326700000000 ] - [ 0.0004519000000000, -0.0003489200000000, -0.0014167100000000 ] - [ 0.0001384100000000, -0.0008377900000000, -0.0015266300000000 ] - [ 0.0002611100000000, -0.0007438000000000, -0.0014885900000000 ] - [ -0.0013044200000000, -0.0011394500000000, -0.0010742600000000 ] - [ -0.0016799900000000, 0.0002541100000000, 0.0003364600000000 ] - [ -0.0014198500000000, -0.0004329300000000, -0.0003100300000000 ] - [ -0.0014110100000000, -0.0004948000000000, -0.0002802500000000 ] - [ -0.0012816300000000, -0.0002286800000000, -0.0003791900000000 ] - [ -0.0013486700000000, -0.0002560500000000, 0.0001834900000000 ] - [ -0.0015465200000000, 0.0002161000000000, 0.0003659500000000 ] - [ -0.0011628800000000, 0.0009124500000000, -0.0008986200000000 ] - [ -0.0014137600000000, 0.0002404000000000, -0.0001564500000000 ] - [ -0.0013784300000000, 0.0002896300000000, -0.0001984800000000 ] - [ -0.0015505000000000, 0.0004341300000000, -0.0002940100000000 ] - [ -0.0012520600000000, 0.0003196700000000, -0.0004213500000000 ] - [ -0.1770727400000000, 0.0730207400000000, 0.1157390500000000 ] - [ 0.0015668800000000, -0.0001639500000000, -0.0008340300000000 ] - [ 0.0001111300000000, 0.0001432000000000, -0.0002236400000000 ] - [ 0.0006185500000000, -0.0000424700000000, -0.0004434600000000 ] - [ 0.0001107400000000, 0.0000354700000000, -0.0002365100000000 ] - [ 0.0006236900000000, 0.0000278600000000, -0.0004258100000000 ] - [ 0.0064357800000000, -0.0092688700000000, 0.0077176900000000 ] - [ 0.0005863100000000, -0.0000480000000000, 0.0004051800000000 ] - [ -0.0003535300000000, 0.0001918000000000, 0.0003575300000000 ] - [ 0.0010341300000000, -0.0013726700000000, 0.0013263800000000 ] - [ 0.0003627300000000, -0.0007707900000000, 0.0008279800000000 ] - [ 0.0002704000000000, -0.0003959500000000, 0.0005843500000000 ] - [ 0.0005203700000000, 0.0000166200000000, -0.0006629800000000 ] - [ 0.0005595100000000, 0.0000222600000000, -0.0005402700000000 ] - [ 0.0003032300000000, -0.0000354400000000, -0.0004077500000000 ] - [ 0.0005072100000000, -0.0000096100000000, -0.0004468800000000 ] - [ 0.0003349400000000, -0.0001138200000000, -0.0004052600000000 ] - [ 0.0004397300000000, -0.0000826700000000, -0.0004244300000000 ] - [ 0.0000858900000000, -0.0004035900000000, 0.0000001000000000 ] - [ -0.0000100500000000, -0.0004701400000000, 0.0001343600000000 ] - [ 0.0000188700000000, -0.0004576400000000, 0.0001047400000000 ] - [ -0.0000600000000000, -0.0004166100000000, 0.0001456300000000 ] - [ 0.0007484200000000, -0.0008224400000000, -0.0004312600000000 ] - [ -0.0003164100000000, -0.0003275700000000, 0.0001772500000000 ] - [ -0.0000910700000000, 0.0001946000000000, -0.0002782900000000 ] - [ -0.0003418100000000, 0.0006184700000000, -0.0008522900000000 ] - [ -0.0001315300000000, 0.0001948400000000, -0.0003690500000000 ] - [ -0.0001731800000000, 0.0002365500000000, -0.0004144800000000 ] - [ -0.0003065800000000, 0.0005769200000000, -0.0007187400000000 ] - [ -0.0003897700000000, 0.0007230200000000, -0.0010035900000000 ] - [ -0.0006847400000000, 0.0001064100000000, 0.0005263900000000 ] - [ -0.0001442300000000, -0.0001475400000000, 0.0001646700000000 ] - [ -0.0003860700000000, -0.0001477600000000, 0.0003593200000000 ] - [ -0.0003061900000000, -0.0001555300000000, 0.0003303100000000 ] - [ -0.0004294800000000, -0.0000574700000000, 0.0003157400000000 ] - [ -0.0001397400000000, -0.0002051800000000, 0.0000744800000000 ] - [ 0.0015049100000000, 0.0001516400000000, -0.0000650000000000 ] - [ 0.0180947800000000, 0.0098146000000000, 0.0049491800000000 ] - [ -0.0002062500000000, -0.0005338500000000, -0.0004882700000000 ] - [ -0.0003614900000000, -0.0005666000000000, -0.0005820200000000 ] - [ 0.0001828800000000, 0.0002945400000000, 0.0001373100000000 ] - [ -0.0002670700000000, -0.0009917800000000, -0.0003793700000000 ] - [ 0.0026337400000000, 0.0005965900000000, 0.0001931300000000 ] - [ 0.0088810300000000, -0.0013162200000000, 0.0010381400000000 ] - [ 0.0004392800000000, 0.0001492300000000, -0.0000920100000000 ] - [ -0.0003252200000000, 0.0005903000000000, -0.0000892500000000 ] - [ -0.0000078700000000, 0.0005279700000000, -0.0000565800000000 ] - [ 0.0002623000000000, 0.0003353700000000, -0.0001917000000000 ] - [ 0.0000867300000000, 0.0001524100000000, -0.0001561300000000 ] - [ 0.0002340800000000, 0.0004357000000000, 0.0004588800000000 ] - [ 0.0000935900000000, 0.0002188800000000, 0.0002635000000000 ] - [ 0.0001345300000000, 0.0001625300000000, 0.0002769700000000 ] - [ 0.0000439300000000, -0.0000346200000000, 0.0000333300000000 ] - [ 0.0000877300000000, 0.0001214600000000, 0.0002368800000000 ] - [ 0.0013573400000000, -0.0004319300000000, -0.0008864400000000 ] - [ -0.0000847800000000, 0.0005644300000000, 0.0011388100000000 ] - [ -0.0005445600000000, -0.0000312000000000, 0.0004779800000000 ] - [ -0.0003204400000000, 0.0000012100000000, 0.0003925800000000 ] - [ 0.0013525900000000, 0.0017828200000000, -0.0006645300000000 ] - [ -0.0000959800000000, -0.0003576800000000, 0.0009214400000000 ] - [ -0.0023573500000000, 0.0003981300000000, 0.0017076500000000 ] - [ 0.0011283900000000, 0.0007255900000000, -0.0000528400000000 ] - [ -0.0001540200000000, 0.0003562500000000, 0.0001538900000000 ] - [ -0.0000003700000000, 0.0004239600000000, 0.0000916900000000 ] - [ -0.0005872200000000, 0.0000722000000000, 0.0004532600000000 ] - [ 0.0006893000000000, 0.0006549100000000, 0.0001075000000000 ] - [ 0.0003771800000000, -0.0002282500000000, -0.0002859500000000 ] - [ -0.0001273700000000, -0.0004170300000000, -0.0002122300000000 ] - [ 0.0001459700000000, -0.0004424400000000, -0.0001373800000000 ] - [ -0.0000779500000000, -0.0004587900000000, -0.0001097400000000 ] - [ 0.0001916400000000, -0.0004640200000000, -0.0002148700000000 ] - [ -0.0001145700000000, -0.0005724600000000, -0.0001268200000000 ]- atom: 73 displacement: [ -0.0099998203540672, 0.0000000000000000, 0.0000599406905484 ] forces: - [ -0.0019511800000000, -0.0005466200000000, -0.0026855500000000 ] - [ -0.0006112100000000, -0.0002703400000000, -0.0014924800000000 ] - [ -0.0018122400000000, -0.0009119700000000, -0.0015000100000000 ] - [ -0.0008133000000000, -0.0012088200000000, -0.0013095600000000 ] - [ -0.0017155300000000, -0.0011404400000000, -0.0014117100000000 ] - [ -0.0008979600000000, -0.0010569400000000, -0.0013004300000000 ] - [ 0.0007163300000000, -0.0009691700000000, 0.0017908300000000 ] - [ 0.0020562000000000, 0.0000850300000000, -0.0002902000000000 ] - [ 0.0011026800000000, -0.0012822600000000, 0.0009852600000000 ] - [ 0.0014523000000000, -0.0011517700000000, 0.0008879100000000 ] - [ 0.0002888900000000, -0.0007470300000000, 0.0005355900000000 ] - [ 0.0026327200000000, -0.0015835200000000, -0.0007126800000000 ] - [ -0.1489087800000000, 0.0685134500000000, 0.1115183900000000 ] - [ 0.0048444200000000, 0.0019447900000000, -0.0003825500000000 ] - [ -0.0029589500000000, 0.0003209800000000, -0.0007300600000000 ] - [ -0.0002551700000000, -0.0004056100000000, -0.0000742500000000 ] - [ -0.0016902900000000, -0.0012534000000000, -0.0002763400000000 ] - [ -0.0007258500000000, 0.0011992200000000, -0.0005614900000000 ] - [ 0.0066132800000000, -0.0019593800000000, -0.0015132400000000 ] - [ -0.0015734400000000, 0.0043370300000000, 0.0074660900000000 ] - [ 0.0012470000000000, 0.0002385700000000, 0.0010150400000000 ] - [ 0.0014600200000000, 0.0001335800000000, 0.0010646900000000 ] - [ 0.0037389500000000, 0.0033904700000000, -0.0001609700000000 ] - [ 0.0020989400000000, -0.0023818400000000, 0.0037997700000000 ] - [ -0.0000605000000000, -0.0009069400000000, 0.0016409000000000 ] - [ -0.0003111000000000, -0.0007014100000000, 0.0014905400000000 ] - [ -0.0002066800000000, -0.0006848100000000, 0.0014844400000000 ] - [ -0.0003034200000000, -0.0005485500000000, 0.0014695300000000 ] - [ -0.0001568500000000, -0.0007588800000000, 0.0015369100000000 ] - [ -0.0003394400000000, -0.0006161600000000, 0.0014559300000000 ] - [ -0.0010851800000000, 0.0018591400000000, -0.0009655700000000 ] - [ 0.0003753900000000, 0.0002664900000000, -0.0019665400000000 ] - [ 0.0001817200000000, 0.0009570200000000, -0.0015239800000000 ] - [ 0.0001579400000000, 0.0007886200000000, -0.0014759800000000 ] - [ 0.0003750600000000, 0.0000709300000000, -0.0012716300000000 ] - [ -0.0000886300000000, 0.0014868000000000, -0.0015880300000000 ] - [ 0.0021957800000000, -0.0055125600000000, 0.0081248900000000 ] - [ 0.0010911100000000, -0.0002201200000000, -0.0000626300000000 ] - [ 0.0014316400000000, -0.0001157900000000, 0.0000380700000000 ] - [ 0.0013715500000000, -0.0000243500000000, -0.0000506100000000 ] - [ 0.0013020000000000, 0.0004949600000000, -0.0002534400000000 ] - [ 0.0013714900000000, -0.0003821200000000, 0.0001153300000000 ] - [ 0.0004298100000000, 0.0010557000000000, 0.0012126600000000 ] - [ -0.0004138800000000, 0.0006777200000000, 0.0013586300000000 ] - [ 0.0000024400000000, 0.0011635900000000, 0.0014987400000000 ] - [ -0.0003295100000000, 0.0006109500000000, 0.0014653900000000 ] - [ 0.0079182400000000, 0.0074112400000000, 0.0016460800000000 ] - [ -0.0011145700000000, -0.0001490600000000, 0.0013285900000000 ] - [ 0.0014928800000000, 0.0004850300000000, 0.0006675500000000 ] - [ 0.0013020400000000, 0.0002800100000000, 0.0002814800000000 ] - [ 0.0015204900000000, 0.0005191800000000, 0.0004377300000000 ] - [ 0.0013306900000000, 0.0004772900000000, 0.0003646600000000 ] - [ 0.0014249100000000, 0.0004797700000000, 0.0002607000000000 ] - [ 0.0013709400000000, 0.0004414200000000, 0.0002842600000000 ] - [ 0.0005809600000000, -0.0005075700000000, -0.0014163600000000 ] - [ 0.0000855300000000, -0.0005934900000000, -0.0013366500000000 ] - [ 0.0004130200000000, -0.0005036400000000, -0.0014300700000000 ] - [ 0.0000700800000000, -0.0009691400000000, -0.0015373600000000 ] - [ 0.0003428900000000, -0.0004866300000000, -0.0014061300000000 ] - [ 0.0002608100000000, -0.0005506700000000, -0.0014195300000000 ] - [ -0.0015160700000000, 0.0003826800000000, 0.0006540700000000 ] - [ -0.0011215000000000, -0.0010496800000000, -0.0007891000000000 ] - [ -0.0014342800000000, -0.0002922300000000, -0.0001264300000000 ] - [ -0.0014059000000000, -0.0002357300000000, -0.0001784800000000 ] - [ -0.0015210200000000, -0.0004586000000000, -0.0000640800000000 ] - [ -0.0014451700000000, -0.0004369300000000, -0.0006747500000000 ] - [ -0.0012617300000000, 0.0005942100000000, -0.0008378500000000 ] - [ -0.0016439700000000, -0.0000890600000000, 0.0004146200000000 ] - [ -0.0013847300000000, 0.0004172000000000, -0.0003061500000000 ] - [ -0.0014119200000000, 0.0003519200000000, -0.0002285900000000 ] - [ -0.0012898700000000, 0.0002393600000000, -0.0001123400000000 ] - [ -0.0015686700000000, 0.0003685400000000, 0.0000386000000000 ] - [ 0.1723476100000000, -0.0695200400000000, -0.1111934900000000 ] - [ -0.0008176100000000, 0.0002485600000000, 0.0001131800000000 ] - [ 0.0006521700000000, 0.0000870200000000, -0.0005496700000000 ] - [ 0.0001474400000000, 0.0002790600000000, -0.0003032500000000 ] - [ 0.0006481900000000, 0.0000913100000000, -0.0005341600000000 ] - [ 0.0001587900000000, 0.0000930900000000, -0.0003584000000000 ] - [ -0.0060104100000000, 0.0085007500000000, -0.0068138200000000 ] - [ -0.0002398800000000, -0.0006446900000000, 0.0004398300000000 ] - [ 0.0006969600000000, -0.0007772000000000, 0.0004384300000000 ] - [ -0.0007113700000000, 0.0008285900000000, -0.0005407800000000 ] - [ 0.0000038900000000, 0.0001850800000000, -0.0000005100000000 ] - [ 0.0000838000000000, -0.0001885300000000, 0.0002524400000000 ] - [ 0.0002367900000000, -0.0002135000000000, -0.0001088400000000 ] - [ 0.0002286000000000, -0.0002155700000000, -0.0002451100000000 ] - [ 0.0004270100000000, -0.0000491900000000, -0.0003379200000000 ] - [ 0.0002854800000000, -0.0000720400000000, -0.0003054200000000 ] - [ 0.0003938300000000, -0.0000370800000000, -0.0003640400000000 ] - [ 0.0003483500000000, -0.0000821900000000, -0.0003279200000000 ] - [ -0.0001982100000000, -0.0005495100000000, 0.0002369200000000 ] - [ -0.0000483600000000, -0.0004792000000000, 0.0000898700000000 ] - [ -0.0001387000000000, -0.0003477700000000, 0.0001966100000000 ] - [ -0.0000179600000000, -0.0003828900000000, 0.0001422700000000 ] - [ -0.0008195000000000, -0.0000764200000000, 0.0006497800000000 ] - [ 0.0002479300000000, -0.0005759200000000, 0.0000320600000000 ] - [ -0.0002740700000000, 0.0004399300000000, -0.0005557600000000 ] - [ -0.0000164300000000, 0.0000059600000000, 0.0000077400000000 ] - [ -0.0002040300000000, 0.0003507700000000, -0.0004146700000000 ] - [ -0.0001674700000000, 0.0003344000000000, -0.0003712800000000 ] - [ -0.0000758100000000, 0.0000897300000000, -0.0001225200000000 ] - [ 0.0000287100000000, -0.0000785000000000, 0.0001665300000000 ] - [ -0.0001056600000000, -0.0002019900000000, 0.0002387400000000 ] - [ -0.0005851100000000, 0.0000503000000000, 0.0005771500000000 ] - [ -0.0004126700000000, -0.0000839000000000, 0.0004123600000000 ] - [ -0.0004260600000000, -0.0000782000000000, 0.0004412400000000 ] - [ -0.0003535400000000, -0.0000692600000000, 0.0004361000000000 ] - [ -0.0006257300000000, 0.0001048200000000, 0.0006874600000000 ] - [ -0.0018823800000000, -0.0007371600000000, -0.0007617600000000 ] - [ -0.0180452100000000, -0.0102122300000000, -0.0057124400000000 ] - [ -0.0001538300000000, -0.0000716800000000, -0.0003332700000000 ] - [ -0.0000122300000000, -0.0000709600000000, -0.0002503400000000 ] - [ -0.0005312000000000, -0.0009071500000000, -0.0009193500000000 ] - [ -0.0000567800000000, 0.0004250900000000, -0.0003773100000000 ] - [ -0.0025753000000000, 0.0002532100000000, -0.0004160100000000 ] - [ -0.0087229600000000, 0.0021672100000000, -0.0011879500000000 ] - [ -0.0003223500000000, 0.0006584300000000, -0.0002352300000000 ] - [ 0.0004182100000000, 0.0002144200000000, -0.0002035600000000 ] - [ 0.0000713700000000, 0.0004511800000000, -0.0002199000000000 ] - [ -0.0001747100000000, 0.0006568800000000, -0.0000648500000000 ] - [ 0.0002337700000000, 0.0004377900000000, 0.0009074200000000 ] - [ 0.0001050000000000, 0.0001701000000000, 0.0002962600000000 ] - [ 0.0002560700000000, 0.0004109300000000, 0.0005712500000000 ] - [ 0.0002407700000000, 0.0004695600000000, 0.0005408400000000 ] - [ 0.0003100800000000, 0.0006248500000000, 0.0008036900000000 ] - [ 0.0002839800000000, 0.0004266100000000, 0.0005963000000000 ] - [ -0.0021099000000000, 0.0005928500000000, 0.0016521300000000 ] - [ -0.0006741400000000, -0.0004254500000000, -0.0003465000000000 ] - [ -0.0002366900000000, 0.0001428900000000, 0.0002753800000000 ] - [ -0.0004230900000000, 0.0001217400000000, 0.0003718200000000 ] - [ -0.0021178100000000, -0.0016179600000000, 0.0014345000000000 ] - [ -0.0006778600000000, 0.0005469500000000, -0.0001386700000000 ] - [ 0.0022361300000000, 0.0005701800000000, -0.0014363100000000 ] - [ -0.0012565300000000, 0.0002597500000000, 0.0003362900000000 ] - [ 0.0000671100000000, 0.0005304900000000, 0.0000679800000000 ] - [ -0.0000764800000000, 0.0004724000000000, 0.0001566600000000 ] - [ 0.0005079000000000, 0.0007233400000000, -0.0001749500000000 ] - [ -0.0008111400000000, 0.0001003000000000, 0.0001778800000000 ] - [ -0.0003041700000000, -0.0005436600000000, 0.0000246900000000 ] - [ 0.0002403900000000, -0.0003658700000000, -0.0000896400000000 ] - [ -0.0000881500000000, -0.0004259600000000, -0.0000519800000000 ] - [ 0.0001769500000000, -0.0004370100000000, -0.0000969100000000 ] - [ -0.0001052800000000, -0.0005489800000000, -0.0000529400000000 ] - [ 0.0002008500000000, -0.0004085500000000, -0.0001644500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013467500000000, -0.0001264300000000, -0.0018729100000000 ] - [ -0.0011276100000000, -0.0001470800000000, -0.0013168500000000 ] - [ -0.0013623200000000, -0.0010844000000000, -0.0014662700000000 ] - [ -0.0012012400000000, -0.0011681000000000, -0.0012822800000000 ] - [ -0.0014635500000000, -0.0013268600000000, -0.0010855400000000 ] - [ -0.0011022800000000, -0.0012393500000000, -0.0010259700000000 ] - [ 0.0009884000000000, -0.0005757700000000, 0.0012450700000000 ] - [ 0.0015956200000000, -0.0000714100000000, 0.0003210200000000 ] - [ 0.0012216200000000, -0.0013752000000000, 0.0009967500000000 ] - [ 0.0012797000000000, -0.0013654000000000, 0.0009749900000000 ] - [ 0.0006849100000000, -0.0008795500000000, 0.0004268700000000 ] - [ 0.0020741700000000, -0.0012947700000000, -0.0002319400000000 ] - [ -0.0620281000000000, 0.0665965800000000, 0.0562789100000000 ] - [ 0.0005616000000000, 0.0023354600000000, -0.0003710000000000 ] - [ -0.0021997200000000, -0.0013350100000000, -0.0001733800000000 ] - [ -0.0009341700000000, 0.0000941400000000, -0.0004214800000000 ] - [ -0.0014320500000000, -0.0010243500000000, -0.0007936300000000 ] - [ -0.0010665200000000, 0.0005135800000000, -0.0008753700000000 ] - [ 0.0042098500000000, 0.0005088300000000, -0.0003918300000000 ] - [ -0.0022166300000000, -0.0006751000000000, -0.0005866200000000 ] - [ 0.0013039300000000, 0.0001262800000000, 0.0009276200000000 ] - [ 0.0013087400000000, -0.0004131100000000, 0.0008130000000000 ] - [ 0.0011203200000000, 0.0015371700000000, 0.0010259300000000 ] - [ 0.0026781700000000, -0.0023455400000000, 0.0033727700000000 ] - [ -0.0001149400000000, -0.0009319600000000, 0.0016308900000000 ] - [ -0.0001357800000000, -0.0008720000000000, 0.0015817900000000 ] - [ -0.0002584200000000, -0.0006163200000000, 0.0014829200000000 ] - [ -0.0002421400000000, -0.0005988900000000, 0.0014897400000000 ] - [ -0.0002382700000000, -0.0006558900000000, 0.0014797000000000 ] - [ -0.0003016200000000, -0.0006219300000000, 0.0014535700000000 ] - [ -0.0001638600000000, 0.0008566800000000, -0.0013337400000000 ] - [ 0.0005562800000000, 0.0001927500000000, -0.0012003300000000 ] - [ 0.0001312300000000, 0.0009483400000000, -0.0015245500000000 ] - [ 0.0001420000000000, 0.0009983800000000, -0.0015129600000000 ] - [ 0.0002976000000000, 0.0005679700000000, -0.0014816400000000 ] - [ -0.0001477700000000, 0.0015051500000000, -0.0015582900000000 ] - [ 0.0066024400000000, -0.0095404600000000, -0.0008862700000000 ] - [ 0.0013340200000000, -0.0004645900000000, 0.0002124700000000 ] - [ 0.0014093500000000, 0.0001556700000000, -0.0001803600000000 ] - [ 0.0013952600000000, -0.0001387600000000, 0.0000571700000000 ] - [ 0.0013733500000000, 0.0000365800000000, -0.0000010200000000 ] - [ 0.0013991200000000, -0.0003575000000000, 0.0001922200000000 ] - [ 0.0003794400000000, 0.0014086700000000, 0.0010945600000000 ] - [ -0.0002534300000000, 0.0007097200000000, 0.0014085900000000 ] - [ -0.0000688700000000, 0.0011418700000000, 0.0015346600000000 ] - [ -0.0002142400000000, 0.0008068500000000, 0.0015044800000000 ] - [ -0.0098554000000000, 0.0092054400000000, 0.0132290500000000 ] - [ -0.0006367900000000, 0.0001713500000000, 0.0014104800000000 ] - [ 0.0014210400000000, 0.0002810100000000, 0.0003056200000000 ] - [ 0.0013617800000000, 0.0002558000000000, 0.0002158400000000 ] - [ 0.0014333700000000, 0.0005618100000000, 0.0005097900000000 ] - [ 0.0014279300000000, 0.0005246700000000, 0.0004330200000000 ] - [ 0.0014139100000000, 0.0005102200000000, 0.0002886400000000 ] - [ 0.0014065500000000, 0.0004769300000000, 0.0002973600000000 ] - [ 0.0004316800000000, -0.0005426300000000, -0.0014209300000000 ] - [ 0.0001536100000000, -0.0006435300000000, -0.0013866000000000 ] - [ 0.0002537600000000, -0.0006979200000000, -0.0015168600000000 ] - [ 0.0001594900000000, -0.0008717100000000, -0.0015334400000000 ] - [ 0.0003010500000000, -0.0005188600000000, -0.0014321300000000 ] - [ 0.0002920300000000, -0.0005250000000000, -0.0014269600000000 ] - [ -0.0014923300000000, -0.0001210000000000, 0.0001561700000000 ] - [ -0.0011204900000000, 0.0000361000000000, 0.0000879100000000 ] - [ -0.0014341200000000, -0.0002579700000000, -0.0001455800000000 ] - [ -0.0014061900000000, -0.0001496400000000, -0.0001009200000000 ] - [ -0.0014287200000000, -0.0005432600000000, -0.0003605600000000 ] - [ -0.0015087500000000, -0.0005368100000000, -0.0007367200000000 ] - [ -0.0012905600000000, 0.0003865500000000, -0.0004586900000000 ] - [ -0.0015397600000000, 0.0000988800000000, 0.0000614900000000 ] - [ -0.0014119700000000, 0.0004576400000000, -0.0003625500000000 ] - [ -0.0013923500000000, 0.0004294900000000, -0.0003182700000000 ] - [ -0.0013639500000000, 0.0002990000000000, -0.0001306400000000 ] - [ -0.0015100500000000, 0.0003708700000000, -0.0000368400000000 ] - [ 0.0705882300000000, -0.0721384500000000, -0.0625191600000000 ] - [ 0.0001766400000000, -0.0000825700000000, -0.0003882500000000 ] - [ 0.0003471800000000, 0.0002498600000000, -0.0003881900000000 ] - [ 0.0003499200000000, 0.0002038400000000, -0.0003710800000000 ] - [ 0.0003932900000000, 0.0002078200000000, -0.0003596200000000 ] - [ 0.0002324900000000, 0.0001460000000000, -0.0003192900000000 ] - [ -0.0083641300000000, 0.0067084200000000, -0.0056885700000000 ] - [ 0.0001702200000000, -0.0006405400000000, 0.0005296300000000 ] - [ 0.0003051300000000, 0.0001833000000000, 0.0001448100000000 ] - [ -0.0002450600000000, 0.0001955200000000, -0.0000323800000000 ] - [ -0.0000110000000000, 0.0002321900000000, 0.0000304800000000 ] - [ 0.0000731200000000, -0.0000804000000000, 0.0002389600000000 ] - [ 0.0002472900000000, -0.0002038400000000, -0.0001846700000000 ] - [ 0.0002786100000000, -0.0001943200000000, -0.0002673700000000 ] - [ 0.0003448800000000, -0.0000690300000000, -0.0003043100000000 ] - [ 0.0003624700000000, -0.0000537900000000, -0.0003199700000000 ] - [ 0.0003940400000000, -0.0000250700000000, -0.0003928900000000 ] - [ 0.0003980500000000, -0.0000545600000000, -0.0003669400000000 ] - [ -0.0000915800000000, -0.0005558400000000, 0.0001317700000000 ] - [ -0.0000052400000000, -0.0004990700000000, 0.0000874600000000 ] - [ -0.0001134200000000, -0.0003463800000000, 0.0001660000000000 ] - [ -0.0000631600000000, -0.0003620000000000, 0.0001373700000000 ] - [ -0.0005397800000000, -0.0002278800000000, 0.0004605400000000 ] - [ 0.0001178300000000, -0.0005130000000000, 0.0000902800000000 ] - [ -0.0001878400000000, 0.0003137300000000, -0.0004105900000000 ] - [ -0.0000947600000000, 0.0001210200000000, -0.0001449500000000 ] - [ -0.0002255800000000, 0.0004068300000000, -0.0004745100000000 ] - [ -0.0002153400000000, 0.0004243400000000, -0.0004714500000000 ] - [ -0.0000568100000000, 0.0000805000000000, -0.0001375300000000 ] - [ -0.0000355000000000, 0.0000066400000000, -0.0000088600000000 ] - [ -0.0002440200000000, -0.0001368900000000, 0.0003055000000000 ] - [ -0.0004489500000000, -0.0000286000000000, 0.0004547500000000 ] - [ -0.0004336300000000, -0.0000761800000000, 0.0004111500000000 ] - [ -0.0003958300000000, -0.0000771700000000, 0.0004162100000000 ] - [ -0.0003917700000000, -0.0000532000000000, 0.0004366800000000 ] - [ -0.0005249200000000, 0.0000451800000000, 0.0005741800000000 ] - [ -0.0010023700000000, -0.0008489800000000, -0.0008277200000000 ] - [ 0.0089562600000000, -0.0012842600000000, -0.0009041600000000 ] - [ -0.0001265900000000, -0.0000857800000000, -0.0002991400000000 ] - [ 0.0000752200000000, 0.0002266900000000, -0.0000738400000000 ] - [ -0.0001779700000000, -0.0003456800000000, -0.0004453900000000 ] - [ -0.0000132000000000, 0.0004234000000000, -0.0001960700000000 ] - [ -0.0002645300000000, 0.0003333900000000, -0.0001117000000000 ] - [ -0.0066448300000000, 0.0017305400000000, -0.0008025200000000 ] - [ -0.0001573900000000, 0.0005423800000000, -0.0001840800000000 ] - [ 0.0002429300000000, 0.0004193200000000, -0.0002641400000000 ] - [ 0.0000229500000000, 0.0005184800000000, -0.0001600800000000 ] - [ -0.0001182300000000, 0.0006454200000000, -0.0000745700000000 ] - [ 0.0001404900000000, 0.0002609800000000, 0.0005865000000000 ] - [ 0.0001336300000000, 0.0001911700000000, 0.0003426300000000 ] - [ 0.0002598400000000, 0.0004633900000000, 0.0005883800000000 ] - [ 0.0002542600000000, 0.0004634400000000, 0.0005493800000000 ] - [ 0.0002614700000000, 0.0005177500000000, 0.0006585400000000 ] - [ 0.0002646200000000, 0.0004077300000000, 0.0005603100000000 ] - [ -0.0020895400000000, 0.0005560100000000, 0.0014761200000000 ] - [ 0.0000856300000000, 0.0004885600000000, 0.0002281300000000 ] - [ -0.0003020200000000, 0.0001467400000000, 0.0003023900000000 ] - [ -0.0003009900000000, 0.0001885600000000, 0.0003100100000000 ] - [ 0.0001346600000000, 0.0005622000000000, 0.0001561500000000 ] - [ -0.0008668800000000, 0.0005163200000000, -0.0000302800000000 ] - [ 0.0024713000000000, 0.0016934300000000, 0.0019647100000000 ] - [ -0.0006103200000000, 0.0003603900000000, 0.0001714800000000 ] - [ 0.0000453600000000, 0.0005542800000000, 0.0000993200000000 ] - [ -0.0000280800000000, 0.0004939100000000, 0.0001235400000000 ] - [ 0.0001731500000000, 0.0006845800000000, -0.0000913800000000 ] - [ -0.0001608400000000, 0.0003239400000000, 0.0001763200000000 ] - [ -0.0000928100000000, -0.0004731600000000, -0.0000415400000000 ] - [ -0.0000315300000000, -0.0004837900000000, -0.0000185200000000 ] - [ 0.0000226200000000, -0.0004135400000000, -0.0000566900000000 ] - [ 0.0000769700000000, -0.0004316200000000, -0.0000597600000000 ] - [ 0.0000242200000000, -0.0004905700000000, -0.0001055100000000 ] - [ 0.0001598600000000, -0.0004143700000000, -0.0001712100000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011952500000000, -0.0015673100000000, -0.0000351000000000 ] - [ -0.0014153200000000, -0.0015492000000000, -0.0005965400000000 ] - [ -0.0011703700000000, -0.0006599400000000, -0.0004318900000000 ] - [ -0.0013324600000000, -0.0005646900000000, -0.0006117300000000 ] - [ -0.0010853900000000, -0.0003970400000000, -0.0008642300000000 ] - [ -0.0014168800000000, -0.0005116100000000, -0.0008972000000000 ] - [ 0.0015492500000000, -0.0011420500000000, 0.0006796200000000 ] - [ 0.0009328300000000, -0.0016482000000000, 0.0015894900000000 ] - [ 0.0013213300000000, -0.0003457800000000, 0.0009282200000000 ] - [ 0.0012521300000000, -0.0003712600000000, 0.0009599600000000 ] - [ 0.0018448700000000, -0.0008529700000000, 0.0014615200000000 ] - [ 0.0004572400000000, -0.0004319600000000, 0.0021284700000000 ] - [ 0.0606505600000000, -0.0646199100000000, -0.0590043500000000 ] - [ -0.0030760900000000, -0.0005955000000000, -0.0015052800000000 ] - [ -0.0003589100000000, 0.0030249100000000, -0.0017512900000000 ] - [ -0.0016029000000000, 0.0016122700000000, -0.0014963500000000 ] - [ -0.0011021300000000, 0.0027520200000000, -0.0011527500000000 ] - [ -0.0014862000000000, 0.0012052600000000, -0.0010814700000000 ] - [ -0.0016312200000000, 0.0012271900000000, 0.0022981600000000 ] - [ 0.0047175100000000, 0.0024317100000000, 0.0025391000000000 ] - [ 0.0012406600000000, 0.0015863600000000, 0.0009865500000000 ] - [ 0.0012269900000000, 0.0021281900000000, 0.0010824400000000 ] - [ 0.0014145200000000, 0.0001644500000000, 0.0009019000000000 ] - [ -0.0001322500000000, 0.0040531000000000, -0.0014353700000000 ] - [ -0.0003799100000000, -0.0003646300000000, 0.0013149900000000 ] - [ -0.0003275100000000, -0.0004425600000000, 0.0013783900000000 ] - [ -0.0002270100000000, -0.0007461100000000, 0.0014990800000000 ] - [ -0.0001824600000000, -0.0007767600000000, 0.0015043200000000 ] - [ -0.0002577600000000, -0.0007255400000000, 0.0014545700000000 ] - [ -0.0001528000000000, -0.0007989800000000, 0.0014942900000000 ] - [ 0.0006369700000000, 0.0005320500000000, -0.0016193800000000 ] - [ -0.0000567900000000, 0.0011646500000000, -0.0017471600000000 ] - [ 0.0002972100000000, 0.0004586000000000, -0.0014392500000000 ] - [ 0.0003382200000000, 0.0003616500000000, -0.0014411100000000 ] - [ 0.0001777200000000, 0.0007263800000000, -0.0014675700000000 ] - [ 0.0006377000000000, -0.0001609100000000, -0.0014060000000000 ] - [ -0.0038666100000000, 0.0088498400000000, 0.0013375100000000 ] - [ 0.0015298200000000, -0.0002700800000000, 0.0002480800000000 ] - [ 0.0013644900000000, -0.0007791200000000, 0.0005818700000000 ] - [ 0.0014240100000000, -0.0005050500000000, 0.0003625500000000 ] - [ 0.0014208500000000, -0.0008351700000000, 0.0004528000000000 ] - [ 0.0014146900000000, -0.0004424800000000, 0.0002680500000000 ] - [ -0.0008678000000000, -0.0000481100000000, 0.0018243900000000 ] - [ -0.0002256800000000, 0.0006176000000000, 0.0015186000000000 ] - [ -0.0004537500000000, 0.0002059800000000, 0.0013911800000000 ] - [ -0.0002598900000000, 0.0005667700000000, 0.0014412200000000 ] - [ 0.0095602900000000, -0.0080667300000000, -0.0105429100000000 ] - [ 0.0001642400000000, 0.0011188900000000, 0.0015725900000000 ] - [ 0.0013899000000000, 0.0003617800000000, 0.0001261500000000 ] - [ 0.0014313700000000, 0.0004302100000000, 0.0002582800000000 ] - [ 0.0014088700000000, 0.0002105300000000, -0.0000061700000000 ] - [ 0.0014178800000000, 0.0002429500000000, 0.0000643900000000 ] - [ 0.0013773900000000, 0.0002786400000000, 0.0001492800000000 ] - [ 0.0014222700000000, 0.0003073900000000, 0.0001660600000000 ] - [ 0.0000285900000000, -0.0007866400000000, -0.0015433400000000 ] - [ 0.0003336700000000, -0.0006983000000000, -0.0015693300000000 ] - [ 0.0002212400000000, -0.0006269900000000, -0.0014584800000000 ] - [ 0.0003663900000000, -0.0004395400000000, -0.0014270000000000 ] - [ 0.0001714200000000, -0.0008138600000000, -0.0015072500000000 ] - [ 0.0002312800000000, -0.0007769300000000, -0.0014837000000000 ] - [ -0.0013408400000000, -0.0006523100000000, -0.0005982600000000 ] - [ -0.0016742600000000, -0.0008336500000000, -0.0005527700000000 ] - [ -0.0014287900000000, -0.0004813500000000, -0.0003112800000000 ] - [ -0.0014112900000000, -0.0005881900000000, -0.0003722600000000 ] - [ -0.0013811600000000, -0.0001562000000000, -0.0001038500000000 ] - [ -0.0012827500000000, -0.0001721900000000, 0.0002255200000000 ] - [ -0.0015261200000000, 0.0004339700000000, -0.0000308700000000 ] - [ -0.0012684100000000, 0.0007322100000000, -0.0005557800000000 ] - [ -0.0013909000000000, 0.0002102300000000, -0.0001202800000000 ] - [ -0.0013967700000000, 0.0002191700000000, -0.0001142400000000 ] - [ -0.0014821800000000, 0.0003819600000000, -0.0002921500000000 ] - [ -0.0013099800000000, 0.0003202900000000, -0.0003516600000000 ] - [ -0.0711398300000000, 0.0722254200000000, 0.0627679400000000 ] - [ 0.0005845400000000, 0.0001644600000000, -0.0003302300000000 ] - [ 0.0004082500000000, -0.0000148700000000, -0.0003784200000000 ] - [ 0.0004203800000000, 0.0000351400000000, -0.0003711300000000 ] - [ 0.0003627600000000, -0.0000761300000000, -0.0004066000000000 ] - [ 0.0005500500000000, -0.0000277500000000, -0.0004624000000000 ] - [ 0.0088680700000000, -0.0074407500000000, 0.0065819800000000 ] - [ 0.0001765900000000, -0.0000448300000000, 0.0003105100000000 ] - [ 0.0000452100000000, -0.0007632900000000, 0.0006531200000000 ] - [ 0.0005674800000000, -0.0007437800000000, 0.0008199100000000 ] - [ 0.0003759100000000, -0.0008144400000000, 0.0007961000000000 ] - [ 0.0002784700000000, -0.0005059900000000, 0.0005966500000000 ] - [ 0.0004972200000000, 0.0000049000000000, -0.0005794400000000 ] - [ 0.0005141300000000, -0.0000008200000000, -0.0005118600000000 ] - [ 0.0003756400000000, -0.0000133000000000, -0.0004345900000000 ] - [ 0.0004411300000000, -0.0000254300000000, -0.0004289800000000 ] - [ 0.0003296200000000, -0.0001268600000000, -0.0003696800000000 ] - [ 0.0003954700000000, -0.0001140000000000, -0.0003775400000000 ] - [ -0.0000264200000000, -0.0003952500000000, 0.0000953100000000 ] - [ -0.0000494100000000, -0.0004472500000000, 0.0001273500000000 ] - [ -0.0000116800000000, -0.0004600300000000, 0.0001317500000000 ] - [ -0.0000132000000000, -0.0004392700000000, 0.0001421900000000 ] - [ 0.0004647900000000, -0.0006758100000000, -0.0002486900000000 ] - [ -0.0001792600000000, -0.0003922100000000, 0.0001095700000000 ] - [ -0.0001781400000000, 0.0003239500000000, -0.0004247600000000 ] - [ -0.0002619800000000, 0.0005061800000000, -0.0006998300000000 ] - [ -0.0001089200000000, 0.0001380600000000, -0.0003067100000000 ] - [ -0.0001246400000000, 0.0001465100000000, -0.0003165100000000 ] - [ -0.0003227400000000, 0.0005790300000000, -0.0006993000000000 ] - [ -0.0003217600000000, 0.0006300400000000, -0.0008240700000000 ] - [ -0.0005545700000000, 0.0000425000000000, 0.0004543700000000 ] - [ -0.0002708000000000, -0.0000696500000000, 0.0002777800000000 ] - [ -0.0003718600000000, -0.0001572100000000, 0.0003595200000000 ] - [ -0.0003287900000000, -0.0001576100000000, 0.0003522900000000 ] - [ -0.0004034900000000, -0.0000740500000000, 0.0003149300000000 ] - [ -0.0002360600000000, -0.0001483600000000, 0.0001855600000000 ] - [ 0.0006287100000000, 0.0002501000000000, -0.0000087800000000 ] - [ -0.0093226500000000, 0.0006068000000000, 0.0000879100000000 ] - [ -0.0002324100000000, -0.0005159000000000, -0.0005228400000000 ] - [ -0.0004426600000000, -0.0008442500000000, -0.0007474000000000 ] - [ -0.0001660100000000, -0.0002613100000000, -0.0003354900000000 ] - [ -0.0003101600000000, -0.0009960000000000, -0.0005621100000000 ] - [ 0.0003560100000000, 0.0005215300000000, -0.0000978300000000 ] - [ 0.0066697700000000, -0.0008812600000000, 0.0006385300000000 ] - [ 0.0002714800000000, 0.0002674300000000, -0.0001364200000000 ] - [ -0.0001405900000000, 0.0003881100000000, -0.0000207800000000 ] - [ 0.0000380800000000, 0.0004609600000000, -0.0001138400000000 ] - [ 0.0002034300000000, 0.0003458600000000, -0.0001727400000000 ] - [ 0.0001777400000000, 0.0003305900000000, 0.0001665700000000 ] - [ 0.0002066600000000, 0.0004154800000000, 0.0004141900000000 ] - [ 0.0000886400000000, 0.0001695300000000, 0.0002486200000000 ] - [ 0.0001210300000000, 0.0001646800000000, 0.0002697100000000 ] - [ 0.0000910200000000, 0.0000717000000000, 0.0001826900000000 ] - [ 0.0001085100000000, 0.0001397100000000, 0.0002781600000000 ] - [ 0.0012993500000000, -0.0003908800000000, -0.0006999200000000 ] - [ -0.0008339600000000, -0.0003496800000000, 0.0005475400000000 ] - [ -0.0004817100000000, -0.0000354900000000, 0.0004459800000000 ] - [ -0.0004416000000000, -0.0000614200000000, 0.0004488800000000 ] - [ -0.0009005500000000, -0.0003990000000000, 0.0006026400000000 ] - [ 0.0001036000000000, -0.0003306000000000, 0.0008114400000000 ] - [ -0.0025140400000000, -0.0007015700000000, -0.0016786400000000 ] - [ 0.0004824900000000, 0.0006258000000000, 0.0001026400000000 ] - [ -0.0001276200000000, 0.0003394400000000, 0.0001141600000000 ] - [ -0.0000488300000000, 0.0004026000000000, 0.0001166700000000 ] - [ -0.0002469900000000, 0.0001075400000000, 0.0003601100000000 ] - [ 0.0000408700000000, 0.0004330600000000, 0.0001034400000000 ] - [ 0.0001665400000000, -0.0002960200000000, -0.0002117100000000 ] - [ 0.0001456300000000, -0.0003008600000000, -0.0002768500000000 ] - [ 0.0000291200000000, -0.0004582600000000, -0.0001183800000000 ] - [ 0.0000239700000000, -0.0004626000000000, -0.0001400800000000 ] - [ 0.0000617800000000, -0.0005231200000000, -0.0001504700000000 ] - [ -0.0000744300000000, -0.0005713800000000, -0.0001156400000000 ]- atom: 73 displacement: [ -0.0017265176572465, 0.0000000000000000, 0.0098498292766533 ] forces: - [ -0.0014282200000000, -0.0004937800000000, -0.0036050300000000 ] - [ -0.0010330400000000, -0.0002635500000000, -0.0019802500000000 ] - [ -0.0015245800000000, -0.0009673400000000, -0.0018185300000000 ] - [ -0.0011224300000000, -0.0010657900000000, -0.0015628500000000 ] - [ -0.0014618300000000, -0.0011879400000000, -0.0017823000000000 ] - [ -0.0011112800000000, -0.0011299300000000, -0.0016079700000000 ] - [ 0.0005471800000000, -0.0003804700000000, 0.0007554600000000 ] - [ 0.0020134900000000, 0.0002964700000000, -0.0007327700000000 ] - [ 0.0011053900000000, -0.0012810900000000, 0.0008531000000000 ] - [ 0.0013489400000000, -0.0012412800000000, 0.0007744200000000 ] - [ 0.0001388800000000, -0.0013042100000000, -0.0001749500000000 ] - [ 0.0027935800000000, -0.0019985600000000, -0.0016008300000000 ] - [ -0.1140685200000000, 0.0626249300000000, 0.1300644600000000 ] - [ 0.0024861200000000, 0.0021385400000000, 0.0005302500000000 ] - [ -0.0020890800000000, 0.0000267000000000, 0.0003128500000000 ] - [ -0.0007564000000000, 0.0000065700000000, 0.0000802400000000 ] - [ -0.0012469600000000, -0.0010397100000000, 0.0004607900000000 ] - [ -0.0009543300000000, 0.0009436000000000, -0.0003576500000000 ] - [ 0.0055491400000000, -0.0011716500000000, -0.0002083200000000 ] - [ -0.0040674600000000, -0.0000487500000000, 0.0039931400000000 ] - [ 0.0012602400000000, 0.0003119100000000, 0.0010621800000000 ] - [ 0.0014707200000000, 0.0000807300000000, 0.0011805100000000 ] - [ 0.0034766500000000, 0.0027238900000000, 0.0003767600000000 ] - [ -0.0003121400000000, 0.0022295800000000, 0.0025429800000000 ] - [ -0.0001475900000000, -0.0008787000000000, 0.0016661800000000 ] - [ -0.0001797800000000, -0.0008245600000000, 0.0015751400000000 ] - [ -0.0002438400000000, -0.0006524400000000, 0.0014811200000000 ] - [ -0.0002548500000000, -0.0006138800000000, 0.0014835400000000 ] - [ -0.0001836400000000, -0.0007705700000000, 0.0015738100000000 ] - [ -0.0002550500000000, -0.0006912400000000, 0.0015196500000000 ] - [ -0.0010922100000000, 0.0017461200000000, -0.0010709500000000 ] - [ 0.0005938700000000, 0.0003300600000000, -0.0016004000000000 ] - [ 0.0001687000000000, 0.0009321500000000, -0.0015246700000000 ] - [ 0.0001664400000000, 0.0009050400000000, -0.0015076300000000 ] - [ 0.0003111900000000, 0.0002403700000000, -0.0013325000000000 ] - [ 0.0004900000000000, 0.0003628100000000, -0.0016747900000000 ] - [ -0.0099826600000000, -0.0004755600000000, 0.0141308800000000 ] - [ 0.0012292100000000, -0.0002832000000000, -0.0000059900000000 ] - [ 0.0014315200000000, -0.0000425700000000, -0.0000455800000000 ] - [ 0.0013939100000000, -0.0000812500000000, -0.0000250800000000 ] - [ 0.0012812400000000, 0.0006107500000000, -0.0004257200000000 ] - [ 0.0013754500000000, -0.0002964200000000, 0.0000499100000000 ] - [ 0.0000883100000000, 0.0009225300000000, 0.0011933200000000 ] - [ -0.0003472200000000, 0.0006272900000000, 0.0013350700000000 ] - [ -0.0000323500000000, 0.0011028500000000, 0.0014837800000000 ] - [ -0.0002771100000000, 0.0006827200000000, 0.0014674700000000 ] - [ -0.0025399400000000, 0.0129260500000000, 0.0060093400000000 ] - [ -0.0009575200000000, -0.0000163000000000, 0.0012889300000000 ] - [ 0.0014051600000000, 0.0005977600000000, 0.0009759600000000 ] - [ 0.0013554200000000, 0.0003711800000000, 0.0003875300000000 ] - [ 0.0014588000000000, 0.0006054400000000, 0.0005633600000000 ] - [ 0.0014027500000000, 0.0005397500000000, 0.0004650800000000 ] - [ 0.0013954100000000, 0.0005255900000000, 0.0003398300000000 ] - [ 0.0013900400000000, 0.0004916800000000, 0.0003417100000000 ] - [ 0.0006867300000000, -0.0002347400000000, -0.0012456600000000 ] - [ 0.0001279900000000, -0.0004497300000000, -0.0012055000000000 ] - [ 0.0002997600000000, -0.0007068800000000, -0.0014881600000000 ] - [ 0.0000759000000000, -0.0010107900000000, -0.0015337200000000 ] - [ 0.0003278800000000, -0.0004837500000000, -0.0014010400000000 ] - [ 0.0002784100000000, -0.0005121800000000, -0.0014060100000000 ] - [ -0.0014740900000000, 0.0001712100000000, 0.0004156100000000 ] - [ -0.0008667800000000, -0.0002087100000000, -0.0001757600000000 ] - [ -0.0014340500000000, -0.0003125600000000, -0.0001554000000000 ] - [ -0.0014157500000000, -0.0002800300000000, -0.0001843800000000 ] - [ -0.0015258700000000, -0.0004596400000000, -0.0001487200000000 ] - [ -0.0013042100000000, -0.0006164700000000, -0.0004915400000000 ] - [ -0.0012745300000000, 0.0002612200000000, -0.0002962400000000 ] - [ -0.0016482700000000, -0.0002310100000000, 0.0005250100000000 ] - [ -0.0013907500000000, 0.0003988000000000, -0.0002991700000000 ] - [ -0.0013997700000000, 0.0003619700000000, -0.0002455800000000 ] - [ -0.0013086100000000, 0.0002960700000000, -0.0001016900000000 ] - [ -0.0016012400000000, 0.0003950700000000, 0.0001082700000000 ] - [ 0.1384711300000000, -0.0723418200000000, -0.1418731800000000 ] - [ -0.0002859100000000, 0.0000464300000000, -0.0003314100000000 ] - [ 0.0005642100000000, 0.0001266300000000, -0.0005935300000000 ] - [ 0.0003125200000000, 0.0002088900000000, -0.0004202900000000 ] - [ 0.0005800800000000, 0.0000558100000000, -0.0005942500000000 ] - [ 0.0002896700000000, 0.0000574800000000, -0.0004487400000000 ] - [ 0.0051798600000000, -0.0039232800000000, -0.0027881900000000 ] - [ -0.0002357100000000, -0.0003380400000000, 0.0000709000000000 ] - [ 0.0002772000000000, 0.0001386400000000, -0.0002401400000000 ] - [ -0.0005366000000000, 0.0006217700000000, -0.0004548700000000 ] - [ -0.0000740400000000, 0.0002193000000000, -0.0001493800000000 ] - [ 0.0000756500000000, -0.0001436700000000, 0.0001949700000000 ] - [ 0.0000642400000000, -0.0003102400000000, 0.0000830400000000 ] - [ 0.0002188600000000, -0.0002319700000000, -0.0001695700000000 ] - [ 0.0003231600000000, -0.0001061700000000, -0.0002496000000000 ] - [ 0.0003050700000000, -0.0000950600000000, -0.0002658800000000 ] - [ 0.0003427600000000, -0.0000531300000000, -0.0002963900000000 ] - [ 0.0003346800000000, -0.0000809900000000, -0.0002850400000000 ] - [ -0.0002286400000000, -0.0005675600000000, 0.0002612900000000 ] - [ 0.0000968600000000, -0.0005323600000000, 0.0001108600000000 ] - [ -0.0001298200000000, -0.0003431600000000, 0.0001987600000000 ] - [ -0.0000230700000000, -0.0003804100000000, 0.0001510200000000 ] - [ -0.0010033400000000, 0.0000275600000000, 0.0008218700000000 ] - [ 0.0002360300000000, -0.0005437000000000, 0.0001070200000000 ] - [ -0.0001151600000000, 0.0001871500000000, -0.0002217600000000 ] - [ 0.0000168200000000, -0.0000908200000000, 0.0001781500000000 ] - [ -0.0001658300000000, 0.0003067100000000, -0.0003414900000000 ] - [ -0.0001576700000000, 0.0003203600000000, -0.0003171700000000 ] - [ 0.0000328900000000, -0.0000525600000000, 0.0001127800000000 ] - [ 0.0001094000000000, -0.0002657200000000, 0.0004693400000000 ] - [ -0.0002117800000000, -0.0001401400000000, 0.0003803900000000 ] - [ -0.0005939200000000, 0.0000597400000000, 0.0006404200000000 ] - [ -0.0004297900000000, -0.0000797200000000, 0.0004341200000000 ] - [ -0.0004225400000000, -0.0000729500000000, 0.0004546700000000 ] - [ -0.0004459000000000, 0.0000016300000000, 0.0005621000000000 ] - [ -0.0007135300000000, 0.0001684000000000, 0.0008283700000000 ] - [ -0.0014044700000000, -0.0009670500000000, -0.0011581900000000 ] - [ -0.0018939500000000, -0.0040370100000000, -0.0067256700000000 ] - [ -0.0001651600000000, -0.0001516300000000, -0.0004049200000000 ] - [ -0.0000989900000000, -0.0001137600000000, -0.0003992000000000 ] - [ -0.0004727700000000, -0.0007823800000000, -0.0009169400000000 ] - [ -0.0002870700000000, -0.0004032000000000, -0.0011538800000000 ] - [ -0.0008586100000000, 0.0003972200000000, -0.0003698700000000 ] - [ -0.0149696600000000, 0.0033986100000000, -0.0019581400000000 ] - [ -0.0001258300000000, 0.0005407600000000, -0.0002677000000000 ] - [ 0.0002370900000000, 0.0003473400000000, -0.0003055800000000 ] - [ 0.0000799200000000, 0.0004681800000000, -0.0002169700000000 ] - [ -0.0001882300000000, 0.0006096100000000, -0.0001414900000000 ] - [ 0.0002700200000000, 0.0005281300000000, 0.0011492900000000 ] - [ 0.0002337900000000, 0.0003444600000000, 0.0005745000000000 ] - [ 0.0002812900000000, 0.0004665600000000, 0.0006642200000000 ] - [ 0.0002702000000000, 0.0004766100000000, 0.0006086400000000 ] - [ 0.0003886200000000, 0.0008017900000000, 0.0010264300000000 ] - [ 0.0004019100000000, 0.0006371400000000, 0.0008433600000000 ] - [ -0.0017022600000000, 0.0003757400000000, 0.0011363700000000 ] - [ 0.0001079900000000, 0.0003937600000000, -0.0003321300000000 ] - [ -0.0002647700000000, 0.0001335100000000, 0.0002763400000000 ] - [ -0.0003573300000000, 0.0001335900000000, 0.0003149100000000 ] - [ -0.0019275700000000, -0.0012775800000000, 0.0011034400000000 ] - [ 0.0003024000000000, 0.0003262000000000, -0.0002852800000000 ] - [ 0.0047883500000000, 0.0033703800000000, 0.0021288500000000 ] - [ -0.0009476600000000, 0.0002815300000000, 0.0002107200000000 ] - [ 0.0000005900000000, 0.0005188900000000, 0.0000765700000000 ] - [ -0.0000527600000000, 0.0004744700000000, 0.0001349500000000 ] - [ 0.0002729200000000, 0.0003739600000000, 0.0000099300000000 ] - [ -0.0005985700000000, 0.0001916600000000, 0.0001252600000000 ] - [ -0.0001791700000000, -0.0004998200000000, 0.0000319900000000 ] - [ 0.0000473700000000, -0.0004501800000000, 0.0000682100000000 ] - [ -0.0000205900000000, -0.0004314400000000, -0.0000437000000000 ] - [ 0.0001048300000000, -0.0004439800000000, -0.0000549800000000 ] - [ -0.0000258200000000, -0.0005149100000000, -0.0000420700000000 ] - [ 0.0000856500000000, -0.0004504000000000, -0.0000707500000000 ]- atom: 73 displacement: [ 0.0017265176572465, 0.0000000000000000, -0.0098498292766533 ] forces: - [ -0.0011006600000000, -0.0012308700000000, 0.0017173700000000 ] - [ -0.0015009200000000, -0.0014488700000000, 0.0000894800000000 ] - [ -0.0009964400000000, -0.0007823300000000, -0.0000538200000000 ] - [ -0.0014135600000000, -0.0006555200000000, -0.0003062000000000 ] - [ -0.0010726900000000, -0.0005476400000000, -0.0001461800000000 ] - [ -0.0014021000000000, -0.0006245600000000, -0.0002999900000000 ] - [ 0.0019853800000000, -0.0013346700000000, 0.0011248800000000 ] - [ 0.0005092800000000, -0.0020258000000000, 0.0026308100000000 ] - [ 0.0014265600000000, -0.0004547600000000, 0.0010629700000000 ] - [ 0.0011762600000000, -0.0005077800000000, 0.0011510600000000 ] - [ 0.0023886900000000, -0.0004551200000000, 0.0020551100000000 ] - [ -0.0002806200000000, 0.0002731900000000, 0.0035134400000000 ] - [ 0.1170599800000000, -0.0638668600000000, -0.1350186400000000 ] - [ -0.0050315600000000, -0.0004139800000000, -0.0023606000000000 ] - [ -0.0004217400000000, 0.0017384200000000, -0.0022128900000000 ] - [ -0.0017780800000000, 0.0017236200000000, -0.0019844500000000 ] - [ -0.0012825000000000, 0.0027891500000000, -0.0023979200000000 ] - [ -0.0015950800000000, 0.0007969700000000, -0.0015956000000000 ] - [ -0.0030104500000000, 0.0029112400000000, 0.0021066800000000 ] - [ 0.0065659600000000, 0.0018216300000000, -0.0020230700000000 ] - [ 0.0012714300000000, 0.0014270600000000, 0.0008317800000000 ] - [ 0.0010526800000000, 0.0016614500000000, 0.0007013400000000 ] - [ -0.0009304700000000, -0.0010016500000000, 0.0015233000000000 ] - [ 0.0028564700000000, -0.0005259700000000, -0.0006217300000000 ] - [ -0.0003545700000000, -0.0004006300000000, 0.0012734100000000 ] - [ -0.0002920000000000, -0.0004823600000000, 0.0013804000000000 ] - [ -0.0002397500000000, -0.0007083100000000, 0.0014939900000000 ] - [ -0.0001749100000000, -0.0007619400000000, 0.0015038500000000 ] - [ -0.0003186700000000, -0.0005982800000000, 0.0013536400000000 ] - [ -0.0002044900000000, -0.0007260900000000, 0.0014241300000000 ] - [ 0.0015590200000000, -0.0003558700000000, -0.0018676000000000 ] - [ -0.0000960700000000, 0.0010282200000000, -0.0013437500000000 ] - [ 0.0002656700000000, 0.0004682300000000, -0.0014366600000000 ] - [ 0.0003157400000000, 0.0004483600000000, -0.0014442000000000 ] - [ 0.0001780300000000, 0.0010379600000000, -0.0016052300000000 ] - [ -0.0000043500000000, 0.0009842300000000, -0.0012841500000000 ] - [ 0.0131224200000000, -0.0002348400000000, -0.0140926700000000 ] - [ 0.0016279500000000, -0.0004359700000000, 0.0004478800000000 ] - [ 0.0013417800000000, -0.0005888900000000, 0.0004502400000000 ] - [ 0.0014201100000000, -0.0005594100000000, 0.0004383600000000 ] - [ 0.0015170200000000, -0.0014082800000000, 0.0008720800000000 ] - [ 0.0014317100000000, -0.0004990900000000, 0.0003968600000000 ] - [ -0.0005974300000000, 0.0003888000000000, 0.0017255500000000 ] - [ -0.0001354000000000, 0.0006988300000000, 0.0015878400000000 ] - [ -0.0004930900000000, 0.0002360600000000, 0.0014384100000000 ] - [ -0.0002090700000000, 0.0006777600000000, 0.0014705200000000 ] - [ 0.0020577300000000, -0.0118499900000000, -0.0030643600000000 ] - [ 0.0004847800000000, 0.0013075500000000, 0.0016850000000000 ] - [ 0.0014026700000000, 0.0000384000000000, -0.0005513300000000 ] - [ 0.0014321700000000, 0.0003113600000000, 0.0000809100000000 ] - [ 0.0013824900000000, 0.0001568200000000, -0.0000730300000000 ] - [ 0.0014361100000000, 0.0002225100000000, 0.0000256700000000 ] - [ 0.0013929400000000, 0.0002496900000000, 0.0000796100000000 ] - [ 0.0014345300000000, 0.0002848200000000, 0.0001129100000000 ] - [ -0.0002185900000000, -0.0010845400000000, -0.0017118100000000 ] - [ 0.0003607700000000, -0.0008862000000000, -0.0017498800000000 ] - [ 0.0001794900000000, -0.0006225400000000, -0.0014804200000000 ] - [ 0.0004532400000000, -0.0002958400000000, -0.0014215300000000 ] - [ 0.0001482000000000, -0.0008496200000000, -0.0015355400000000 ] - [ 0.0002460900000000, -0.0007827100000000, -0.0015001700000000 ] - [ -0.0013478400000000, -0.0009351400000000, -0.0008497500000000 ] - [ -0.0019245800000000, -0.0005813000000000, -0.0002807900000000 ] - [ -0.0014214100000000, -0.0004233700000000, -0.0002966000000000 ] - [ -0.0014008100000000, -0.0004590500000000, -0.0002841800000000 ] - [ -0.0012772400000000, -0.0002284600000000, -0.0002999400000000 ] - [ -0.0014864700000000, -0.0000855900000000, -0.0000112300000000 ] - [ -0.0015300800000000, 0.0005419100000000, -0.0001629200000000 ] - [ -0.0011558300000000, 0.0010542500000000, -0.0010127200000000 ] - [ -0.0014099700000000, 0.0002597900000000, -0.0001708500000000 ] - [ -0.0013856400000000, 0.0002826500000000, -0.0001811200000000 ] - [ -0.0015327000000000, 0.0003807700000000, -0.0003125900000000 ] - [ -0.0012160900000000, 0.0002840000000000, -0.0004850500000000 ] - [ -0.1436544900000000, 0.0755851600000000, 0.1445400900000000 ] - [ 0.0010596500000000, 0.0000351900000000, -0.0003985100000000 ] - [ 0.0002006500000000, 0.0001048100000000, -0.0001769700000000 ] - [ 0.0004591300000000, 0.0000271100000000, -0.0003258600000000 ] - [ 0.0001877000000000, 0.0000647600000000, -0.0001770500000000 ] - [ 0.0004956100000000, 0.0000561400000000, -0.0003392600000000 ] - [ -0.0048550000000000, 0.0032986100000000, 0.0036010100000000 ] - [ 0.0005813400000000, -0.0003395600000000, 0.0007613900000000 ] - [ 0.0000661500000000, -0.0007156700000000, 0.0010304400000000 ] - [ 0.0008606100000000, -0.0011697100000000, 0.0012397200000000 ] - [ 0.0004391600000000, -0.0008081400000000, 0.0009795000000000 ] - [ 0.0002764300000000, -0.0004493700000000, 0.0006473400000000 ] - [ 0.0006826300000000, 0.0001104700000000, -0.0008465300000000 ] - [ 0.0005722400000000, 0.0000403300000000, -0.0006131400000000 ] - [ 0.0004032800000000, 0.0000221900000000, -0.0004914800000000 ] - [ 0.0004952700000000, 0.0000151800000000, -0.0004861000000000 ] - [ 0.0003807800000000, -0.0000993100000000, -0.0004644100000000 ] - [ 0.0004585200000000, -0.0000842400000000, -0.0004638400000000 ] - [ 0.0001122200000000, -0.0003850600000000, -0.0000352500000000 ] - [ -0.0001461900000000, -0.0004193900000000, 0.0001022000000000 ] - [ 0.0000117200000000, -0.0004644400000000, 0.0000950500000000 ] - [ -0.0000501200000000, -0.0004258300000000, 0.0001255400000000 ] - [ 0.0009343900000000, -0.0009326200000000, -0.0006154400000000 ] - [ -0.0002995800000000, -0.0003612900000000, 0.0000907700000000 ] - [ -0.0002497300000000, 0.0004453200000000, -0.0006083600000000 ] - [ -0.0003737200000000, 0.0007187100000000, -0.0010312400000000 ] - [ -0.0001670200000000, 0.0002364300000000, -0.0004399600000000 ] - [ -0.0001770400000000, 0.0002450100000000, -0.0004661900000000 ] - [ -0.0004124200000000, 0.0007149400000000, -0.0009507500000000 ] - [ -0.0004646800000000, 0.0009057400000000, -0.0013099300000000 ] - [ -0.0005948100000000, 0.0000522000000000, 0.0003899600000000 ] - [ -0.0001333300000000, -0.0001547700000000, 0.0000964500000000 ] - [ -0.0003785300000000, -0.0001527900000000, 0.0003390800000000 ] - [ -0.0003098600000000, -0.0001606900000000, 0.0003142800000000 ] - [ -0.0003476800000000, -0.0001256200000000, 0.0001899700000000 ] - [ -0.0000475500000000, -0.0002712900000000, -0.0000722500000000 ] - [ 0.0010375300000000, 0.0003692300000000, 0.0003142200000000 ] - [ 0.0014000800000000, 0.0033997800000000, 0.0059153700000000 ] - [ -0.0001942900000000, -0.0004562000000000, -0.0004207400000000 ] - [ -0.0002730600000000, -0.0005221600000000, -0.0004346400000000 ] - [ 0.0001293300000000, 0.0001728600000000, 0.0001309500000000 ] - [ -0.0000343900000000, -0.0001717800000000, 0.0003928300000000 ] - [ 0.0009689500000000, 0.0004642700000000, 0.0001610100000000 ] - [ 0.0152735000000000, -0.0025896900000000, 0.0017920100000000 ] - [ 0.0002446500000000, 0.0002665000000000, -0.0000509300000000 ] - [ -0.0001419700000000, 0.0004619400000000, 0.0000243300000000 ] - [ -0.0000209200000000, 0.0005096600000000, -0.0000514700000000 ] - [ 0.0002703900000000, 0.0003847300000000, -0.0001045000000000 ] - [ 0.0000525500000000, 0.0000720200000000, -0.0003880700000000 ] - [ 0.0001073000000000, 0.0002711300000000, 0.0001907500000000 ] - [ 0.0000690400000000, 0.0001650500000000, 0.0001709900000000 ] - [ 0.0001027200000000, 0.0001513400000000, 0.0002121600000000 ] - [ -0.0000401100000000, -0.0002183200000000, -0.0001853800000000 ] - [ -0.0000314000000000, -0.0000866300000000, -0.0000078100000000 ] - [ 0.0009473300000000, -0.0002203200000000, -0.0003845500000000 ] - [ -0.0008608300000000, -0.0002527200000000, 0.0011030000000000 ] - [ -0.0005166900000000, -0.0000254700000000, 0.0004735800000000 ] - [ -0.0003861100000000, -0.0000136300000000, 0.0004425800000000 ] - [ 0.0011629700000000, 0.0014509700000000, -0.0003445600000000 ] - [ -0.0010810000000000, -0.0001399600000000, 0.0010681200000000 ] - [ -0.0047958300000000, -0.0023258700000000, -0.0018205600000000 ] - [ 0.0008190400000000, 0.0007049200000000, 0.0000602900000000 ] - [ -0.0000865900000000, 0.0003684900000000, 0.0001345600000000 ] - [ -0.0000277200000000, 0.0004207500000000, 0.0001027900000000 ] - [ -0.0003487000000000, 0.0004218800000000, 0.0002588500000000 ] - [ 0.0004721900000000, 0.0005664700000000, 0.0001535800000000 ] - [ 0.0002561000000000, -0.0002697200000000, -0.0002852700000000 ] - [ 0.0000767800000000, -0.0003313000000000, -0.0003640000000000 ] - [ 0.0000747700000000, -0.0004407400000000, -0.0001338400000000 ] - [ -0.0000012700000000, -0.0004519200000000, -0.0001460500000000 ] - [ 0.0001134500000000, -0.0004993000000000, -0.0002134200000000 ] - [ 0.0000070700000000, -0.0005297400000000, -0.0002147600000000 ]- atom: 79 displacement: [ 0.0099998203540672, 0.0000000000000000, -0.0000599406905484 ] forces: - [ -0.0005519200000000, -0.0013652500000000, -0.0011594600000000 ] - [ -0.0020215700000000, -0.0016945100000000, -0.0019030800000000 ] - [ -0.0011540900000000, -0.0002098400000000, -0.0011140400000000 ] - [ -0.0014329700000000, -0.0002750800000000, -0.0011557300000000 ] - [ -0.0003104300000000, -0.0005732800000000, -0.0019401000000000 ] - [ -0.0022699900000000, -0.0005175700000000, -0.0023481800000000 ] - [ 0.0004480000000000, -0.0003552700000000, 0.0000155200000000 ] - [ 0.0020541000000000, -0.0005567100000000, 0.0001341500000000 ] - [ 0.0011336600000000, -0.0003411200000000, 0.0006367400000000 ] - [ 0.0013370400000000, -0.0003055400000000, 0.0007807100000000 ] - [ 0.0003220600000000, -0.0019879000000000, -0.0001432600000000 ] - [ 0.0021598500000000, -0.0018554300000000, 0.0003301400000000 ] - [ 0.0174303600000000, 0.0093119700000000, -0.0053004500000000 ] - [ -0.0033709000000000, 0.0000975900000000, -0.0001957400000000 ] - [ -0.0007819100000000, 0.0028604200000000, -0.0002992000000000 ] - [ -0.0014666000000000, 0.0015221200000000, -0.0009014000000000 ] - [ 0.0013103500000000, 0.0020171200000000, 0.0009651100000000 ] - [ -0.0027376700000000, 0.0011301900000000, -0.0002888000000000 ] - [ -0.0000402200000000, 0.0013547200000000, 0.0014099900000000 ] - [ 0.0038117700000000, 0.0012110200000000, 0.0029862600000000 ] - [ 0.0010574000000000, 0.0014574000000000, 0.0010543200000000 ] - [ 0.0018268900000000, 0.0029798300000000, 0.0015870400000000 ] - [ -0.0020592600000000, -0.0008074200000000, 0.0021614100000000 ] - [ 0.0215033400000000, -0.0014446300000000, 0.0131625400000000 ] - [ -0.0002982000000000, -0.0005214700000000, 0.0014726200000000 ] - [ -0.0002829600000000, -0.0004757100000000, 0.0014258700000000 ] - [ -0.0001965000000000, -0.0008457900000000, 0.0015251300000000 ] - [ -0.0001332100000000, -0.0008896200000000, 0.0015470700000000 ] - [ -0.0003625300000000, -0.0006028600000000, 0.0014931800000000 ] - [ 0.0001977100000000, -0.0011239500000000, 0.0017600500000000 ] - [ 0.0005633200000000, 0.0004091000000000, -0.0014932700000000 ] - [ -0.0001008200000000, 0.0019780800000000, -0.0016301900000000 ] - [ 0.0002967300000000, 0.0005018900000000, -0.0014452100000000 ] - [ 0.0004029500000000, 0.0002587100000000, -0.0014240400000000 ] - [ 0.0002861200000000, 0.0009093500000000, -0.0015852800000000 ] - [ 0.0050652000000000, -0.0073280300000000, -0.0015323300000000 ] - [ 0.0012881100000000, -0.0072508700000000, 0.0054550300000000 ] - [ 0.0015095000000000, -0.0001971700000000, 0.0000317600000000 ] - [ 0.0013878000000000, -0.0005873900000000, 0.0003898300000000 ] - [ 0.0014214700000000, -0.0004228300000000, 0.0002481300000000 ] - [ 0.0011691500000000, 0.0000374900000000, -0.0003356800000000 ] - [ 0.0014722800000000, -0.0002559900000000, 0.0000227200000000 ] - [ -0.0004969300000000, -0.0003200300000000, 0.0011902400000000 ] - [ -0.0003010900000000, 0.0005199300000000, 0.0014221100000000 ] - [ -0.0005100100000000, 0.0001889500000000, 0.0014171700000000 ] - [ -0.0002035100000000, 0.0005646500000000, 0.0013778100000000 ] - [ 0.0006909400000000, 0.0001533300000000, 0.0097845400000000 ] - [ 0.0001091000000000, 0.0010529600000000, 0.0014441900000000 ] - [ 0.0013263100000000, 0.0004203200000000, 0.0000082800000000 ] - [ 0.0015896200000000, 0.0007279100000000, 0.0006919100000000 ] - [ 0.0014022000000000, 0.0002554100000000, 0.0001477000000000 ] - [ 0.0014308300000000, 0.0002992700000000, 0.0001777400000000 ] - [ 0.0013011100000000, 0.0003590400000000, 0.0003010900000000 ] - [ 0.0015041500000000, 0.0004598900000000, 0.0004335400000000 ] - [ 0.0007164200000000, -0.0000462500000000, -0.0011397900000000 ] - [ 0.0002573400000000, -0.0004658100000000, -0.0013867800000000 ] - [ 0.0002730800000000, -0.0007557500000000, -0.0014959200000000 ] - [ 0.0001721500000000, -0.0008040600000000, -0.0014817800000000 ] - [ 0.0002244800000000, -0.0006894500000000, -0.0014432200000000 ] - [ 0.0002170800000000, -0.0007353800000000, -0.0014538500000000 ] - [ -0.0013718800000000, -0.0005183400000000, -0.0003660500000000 ] - [ -0.0015084500000000, -0.0005849900000000, -0.0003285600000000 ] - [ -0.0014005200000000, -0.0004387700000000, -0.0002753900000000 ] - [ -0.0015325000000000, -0.0009186500000000, -0.0005729000000000 ] - [ -0.0012096100000000, -0.0002261900000000, -0.0002384200000000 ] - [ -0.0004382100000000, -0.0017222700000000, 0.0062125000000000 ] - [ -0.0011777300000000, 0.0000492100000000, 0.0002431800000000 ] - [ -0.0015176200000000, 0.0002435900000000, 0.0000293800000000 ] - [ -0.0013808100000000, 0.0001676600000000, -0.0000997200000000 ] - [ -0.0013958900000000, 0.0001719300000000, -0.0000976200000000 ] - [ -0.0013773200000000, 0.0003848500000000, -0.0001728000000000 ] - [ -0.0014679400000000, 0.0004843300000000, -0.0003084900000000 ] - [ 0.0065542800000000, -0.0084390800000000, 0.0057743400000000 ] - [ 0.0008040600000000, 0.0000357800000000, -0.0007141600000000 ] - [ 0.0005625200000000, -0.0000717000000000, -0.0006153200000000 ] - [ 0.0004882400000000, 0.0000168900000000, -0.0004648000000000 ] - [ -0.0001415200000000, 0.0001914000000000, -0.0003613600000000 ] - [ 0.0012655700000000, -0.0003505300000000, -0.0009485100000000 ] - [ -0.0603133800000000, 0.0250960800000000, -0.0202226500000000 ] - [ 0.0005713200000000, -0.0001930100000000, 0.0002575500000000 ] - [ -0.0000086300000000, -0.0003272100000000, 0.0001609000000000 ] - [ 0.0003442100000000, -0.0005101900000000, 0.0005641700000000 ] - [ 0.0000010600000000, -0.0006887100000000, 0.0002201600000000 ] - [ 0.0003563200000000, -0.0004810100000000, 0.0005196800000000 ] - [ 0.0003084000000000, -0.0000782700000000, -0.0002970400000000 ] - [ 0.0004703200000000, -0.0000572600000000, -0.0003280500000000 ] - [ 0.0002941600000000, -0.0001229200000000, -0.0002913600000000 ] - [ 0.0003542400000000, -0.0001041200000000, -0.0003085700000000 ] - [ 0.0002414800000000, -0.0001578300000000, -0.0002006700000000 ] - [ 0.0003083400000000, -0.0001536800000000, -0.0001870000000000 ] - [ -0.0003963500000000, -0.0004917300000000, 0.0002857600000000 ] - [ 0.0001987900000000, -0.0005394700000000, 0.0001352000000000 ] - [ -0.0000395700000000, -0.0004508600000000, 0.0001537400000000 ] - [ 0.0000394700000000, -0.0004601300000000, 0.0001607200000000 ] - [ -0.0006657800000000, -0.0001658700000000, 0.0003820900000000 ] - [ 0.0001879200000000, -0.0004663000000000, 0.0001373500000000 ] - [ 0.0000042500000000, 0.0000367800000000, -0.0000687000000000 ] - [ -0.0001088900000000, 0.0000788500000000, -0.0001446900000000 ] - [ 0.0000540000000000, -0.0000648400000000, -0.0000074500000000 ] - [ -0.0001263100000000, 0.0000877900000000, -0.0001762200000000 ] - [ -0.0000005500000000, 0.0001917000000000, -0.0000720900000000 ] - [ -0.0003719300000000, 0.0005376300000000, -0.0003765100000000 ] - [ -0.0003107900000000, -0.0000539200000000, 0.0004671600000000 ] - [ -0.0005310400000000, 0.0000324500000000, 0.0005421700000000 ] - [ -0.0003707100000000, -0.0001696500000000, 0.0003954700000000 ] - [ -0.0003746200000000, -0.0001586900000000, 0.0003969400000000 ] - [ -0.0005129200000000, 0.0000681700000000, 0.0005838300000000 ] - [ -0.0005972600000000, 0.0000920100000000, 0.0006325700000000 ] - [ 0.0001898900000000, -0.0000978300000000, -0.0003043500000000 ] - [ -0.0027275200000000, -0.0007458300000000, -0.0027134600000000 ] - [ -0.0002469300000000, -0.0005340300000000, -0.0005914200000000 ] - [ -0.0005837200000000, -0.0010976400000000, -0.0011446300000000 ] - [ 0.0002011900000000, 0.0000065900000000, -0.0002081900000000 ] - [ -0.0027163500000000, -0.0047676300000000, -0.0039492200000000 ] - [ 0.0008843800000000, 0.0002991500000000, -0.0002482300000000 ] - [ -0.0016249700000000, 0.0038961100000000, -0.0087820900000000 ] - [ 0.0002176900000000, 0.0003099700000000, -0.0001989500000000 ] - [ -0.0000302800000000, 0.0003343900000000, -0.0001882200000000 ] - [ 0.0003180400000000, 0.0004459600000000, -0.0001362700000000 ] - [ -0.0002122000000000, 0.0003178000000000, -0.0003567900000000 ] - [ 0.0001037300000000, 0.0004066600000000, 0.0006221000000000 ] - [ 0.0004176000000000, 0.0006376600000000, 0.0008231000000000 ] - [ 0.0000991400000000, 0.0001368500000000, 0.0003368200000000 ] - [ 0.0001700500000000, 0.0001887600000000, 0.0003934300000000 ] - [ 0.0002349000000000, 0.0005720600000000, 0.0007741500000000 ] - [ 0.0005526800000000, 0.0008206400000000, 0.0010869200000000 ] - [ -0.0000331000000000, 0.0000846700000000, 0.0001477900000000 ] - [ -0.0004965500000000, -0.0000780400000000, 0.0002571400000000 ] - [ -0.0004247300000000, -0.0000002800000000, 0.0003965400000000 ] - [ -0.0005605800000000, -0.0001961000000000, 0.0004487700000000 ] - [ 0.0012949300000000, 0.0008948500000000, -0.0005498500000000 ] - [ 0.0179190700000000, -0.0091950000000000, 0.0019489700000000 ] - [ -0.0009893100000000, -0.0001617300000000, -0.0000249800000000 ] - [ 0.0002710100000000, 0.0005953300000000, 0.0000908800000000 ] - [ -0.0003496000000000, 0.0002821500000000, 0.0001209800000000 ] - [ 0.0000328000000000, 0.0004137100000000, 0.0001027400000000 ] - [ -0.0052725500000000, 0.0031520300000000, -0.0023360400000000 ] - [ 0.0012619800000000, 0.0006891800000000, 0.0000207600000000 ] - [ 0.0003230600000000, -0.0002907600000000, -0.0001331100000000 ] - [ -0.0002738500000000, -0.0003707400000000, -0.0000571800000000 ] - [ 0.0000331200000000, -0.0004792800000000, -0.0000824900000000 ] - [ -0.0000741200000000, -0.0005341700000000, -0.0000600800000000 ] - [ 0.0003405400000000, -0.0004115700000000, -0.0001096900000000 ] - [ -0.0005963700000000, -0.0007554800000000, 0.0001995300000000 ]- atom: 79 displacement: [ -0.0099998203540672, 0.0000000000000000, 0.0000599406905484 ] forces: - [ -0.0019859200000000, -0.0003463700000000, -0.0007504400000000 ] - [ -0.0005199000000000, -0.0000151900000000, -0.0000118200000000 ] - [ -0.0013757300000000, -0.0015311800000000, -0.0007756600000000 ] - [ -0.0010987700000000, -0.0014535500000000, -0.0007280800000000 ] - [ -0.0022335600000000, -0.0011482900000000, -0.0000070400000000 ] - [ -0.0002530800000000, -0.0012187200000000, 0.0004243300000000 ] - [ 0.0020829700000000, -0.0013748900000000, 0.0018996800000000 ] - [ 0.0004805600000000, -0.0011699600000000, 0.0017672000000000 ] - [ 0.0014039700000000, -0.0013692100000000, 0.0012765000000000 ] - [ 0.0011968100000000, -0.0014199400000000, 0.0011480800000000 ] - [ 0.0022077800000000, 0.0002480900000000, 0.0020358300000000 ] - [ 0.0003748200000000, 0.0001226400000000, 0.0015677200000000 ] - [ -0.0199585600000000, -0.0075760600000000, 0.0033781000000000 ] - [ 0.0008398400000000, 0.0016128800000000, -0.0016787800000000 ] - [ -0.0017580000000000, -0.0011329200000000, -0.0016189300000000 ] - [ -0.0010720300000000, 0.0001908500000000, -0.0010085500000000 ] - [ -0.0038439200000000, -0.0002820300000000, -0.0028940800000000 ] - [ 0.0001844600000000, 0.0006077300000000, -0.0016472400000000 ] - [ 0.0025832800000000, 0.0003719100000000, 0.0005018200000000 ] - [ -0.0012771700000000, 0.0005496400000000, -0.0010370400000000 ] - [ 0.0014799900000000, 0.0002663500000000, 0.0008482500000000 ] - [ 0.0007065700000000, -0.0012486500000000, 0.0003022900000000 ] - [ 0.0046060500000000, 0.0025217400000000, -0.0002487100000000 ] - [ -0.0187841200000000, 0.0026457200000000, -0.0107706500000000 ] - [ -0.0002152300000000, -0.0007397600000000, 0.0014562300000000 ] - [ -0.0002026400000000, -0.0008110800000000, 0.0015149700000000 ] - [ -0.0002957400000000, -0.0004965600000000, 0.0014411000000000 ] - [ -0.0003135800000000, -0.0004548700000000, 0.0014275900000000 ] - [ -0.0001521600000000, -0.0007443100000000, 0.0014257800000000 ] - [ -0.0006689600000000, -0.0002707300000000, 0.0011754700000000 ] - [ -0.0000696300000000, 0.0009523600000000, -0.0014409300000000 ] - [ 0.0006093500000000, -0.0006359400000000, -0.0012981500000000 ] - [ 0.0001541000000000, 0.0008718700000000, -0.0015021500000000 ] - [ 0.0000876400000000, 0.0010762500000000, -0.0015167300000000 ] - [ 0.0002152100000000, 0.0003508600000000, -0.0013381100000000 ] - [ -0.0044779300000000, 0.0085677800000000, -0.0014100300000000 ] - [ 0.0014679100000000, 0.0065852000000000, -0.0050747500000000 ] - [ 0.0013381200000000, -0.0004960000000000, 0.0003736900000000 ] - [ 0.0013830100000000, -0.0000121800000000, -0.0000249400000000 ] - [ 0.0013884200000000, -0.0001912400000000, 0.0001331800000000 ] - [ 0.0016202300000000, -0.0007919400000000, 0.0007293300000000 ] - [ 0.0013334200000000, -0.0005062900000000, 0.0003817100000000 ] - [ -0.0000213800000000, 0.0016121100000000, 0.0017122700000000 ] - [ -0.0001980800000000, 0.0007745700000000, 0.0014870200000000 ] - [ -0.0000336200000000, 0.0011211400000000, 0.0014869800000000 ] - [ -0.0002981100000000, 0.0007709900000000, 0.0015430200000000 ] - [ -0.0011610300000000, 0.0011110600000000, -0.0069244400000000 ] - [ -0.0005958000000000, 0.0002251000000000, 0.0015134200000000 ] - [ 0.0014756900000000, 0.0001955300000000, 0.0003894800000000 ] - [ 0.0011973500000000, -0.0000759500000000, -0.0002564900000000 ] - [ 0.0014319000000000, 0.0004790800000000, 0.0003105300000000 ] - [ 0.0014053800000000, 0.0004315500000000, 0.0002733400000000 ] - [ 0.0014844700000000, 0.0003943700000000, 0.0000881100000000 ] - [ 0.0013140500000000, 0.0003048400000000, -0.0000017500000000 ] - [ -0.0002317400000000, -0.0012513900000000, -0.0018040800000000 ] - [ 0.0002458400000000, -0.0008385600000000, -0.0015511800000000 ] - [ 0.0002258600000000, -0.0005480700000000, -0.0014533100000000 ] - [ 0.0003606200000000, -0.0004959000000000, -0.0014610400000000 ] - [ 0.0002724400000000, -0.0006039600000000, -0.0014771100000000 ] - [ 0.0003220500000000, -0.0005272600000000, -0.0014399400000000 ] - [ -0.0014454700000000, -0.0002272700000000, -0.0000361500000000 ] - [ -0.0012848600000000, -0.0001857200000000, -0.0000949500000000 ] - [ -0.0014492500000000, -0.0002667200000000, -0.0001362300000000 ] - [ -0.0012816600000000, 0.0002196300000000, 0.0001474700000000 ] - [ -0.0015893100000000, -0.0004329200000000, -0.0001718700000000 ] - [ -0.0023633300000000, 0.0010348000000000, -0.0066023000000000 ] - [ -0.0016243000000000, 0.0007287700000000, -0.0006736700000000 ] - [ -0.0012849700000000, 0.0005464900000000, -0.0004734100000000 ] - [ -0.0014134700000000, 0.0004683900000000, -0.0003333800000000 ] - [ -0.0013879500000000, 0.0004475100000000, -0.0002940500000000 ] - [ -0.0014561300000000, 0.0002653800000000, -0.0002073700000000 ] - [ -0.0013490200000000, 0.0001686600000000, -0.0000369200000000 ] - [ -0.0058721600000000, 0.0087128100000000, -0.0066433000000000 ] - [ -0.0000321200000000, 0.0000469600000000, -0.0000216300000000 ] - [ 0.0002054500000000, 0.0003027400000000, -0.0001594400000000 ] - [ 0.0002890000000000, 0.0002165100000000, -0.0002885600000000 ] - [ 0.0009081900000000, -0.0000657900000000, -0.0004126800000000 ] - [ -0.0004702500000000, 0.0004629700000000, 0.0001549000000000 ] - [ 0.0600851200000000, -0.0251716800000000, 0.0207707000000000 ] - [ -0.0002232100000000, -0.0004851400000000, 0.0005774800000000 ] - [ 0.0003587100000000, -0.0002626500000000, 0.0006378300000000 ] - [ -0.0000138600000000, -0.0000450300000000, 0.0002252700000000 ] - [ 0.0003686100000000, 0.0000979800000000, 0.0006168400000000 ] - [ 0.0000013100000000, -0.0001143100000000, 0.0003245600000000 ] - [ 0.0004476200000000, -0.0001197800000000, -0.0004725200000000 ] - [ 0.0003312100000000, -0.0001345100000000, -0.0004599600000000 ] - [ 0.0004474400000000, 0.0000420100000000, -0.0004594200000000 ] - [ 0.0004525200000000, 0.0000273500000000, -0.0004485700000000 ] - [ 0.0004897700000000, 0.0000108400000000, -0.0005662000000000 ] - [ 0.0004924800000000, -0.0000032400000000, -0.0005695500000000 ] - [ 0.0002862200000000, -0.0004683800000000, -0.0000501800000000 ] - [ -0.0002479300000000, -0.0004165500000000, 0.0000880300000000 ] - [ -0.0000759900000000, -0.0003558000000000, 0.0001439400000000 ] - [ -0.0001063100000000, -0.0003421100000000, 0.0001215300000000 ] - [ 0.0005928900000000, -0.0007384500000000, -0.0001656400000000 ] - [ -0.0002426300000000, -0.0004430500000000, 0.0000661100000000 ] - [ -0.0003719600000000, 0.0006029300000000, -0.0007663700000000 ] - [ -0.0002550800000000, 0.0005487500000000, -0.0007023400000000 ] - [ -0.0003891300000000, 0.0006192100000000, -0.0007747600000000 ] - [ -0.0002134500000000, 0.0004831100000000, -0.0006107100000000 ] - [ -0.0003805800000000, 0.0004700300000000, -0.0007677700000000 ] - [ 0.0000106700000000, 0.0001051300000000, -0.0004622400000000 ] - [ -0.0004888900000000, -0.0000412000000000, 0.0003033300000000 ] - [ -0.0002081000000000, -0.0001295300000000, 0.0002056600000000 ] - [ -0.0004388300000000, -0.0000556200000000, 0.0003833000000000 ] - [ -0.0003655200000000, -0.0000687000000000, 0.0003770900000000 ] - [ -0.0002855100000000, -0.0001916400000000, 0.0001756100000000 ] - [ -0.0001744100000000, -0.0001925400000000, 0.0001349200000000 ] - [ -0.0005551400000000, -0.0004934200000000, -0.0005259500000000 ] - [ 0.0023503400000000, 0.0000858700000000, 0.0019052400000000 ] - [ -0.0001137400000000, -0.0000735700000000, -0.0002334000000000 ] - [ 0.0002120700000000, 0.0004731700000000, 0.0003183000000000 ] - [ -0.0005453100000000, -0.0006150000000000, -0.0005776200000000 ] - [ 0.0023714300000000, 0.0042195700000000, 0.0031875200000000 ] - [ -0.0007988900000000, 0.0005653900000000, 0.0000314700000000 ] - [ 0.0016763900000000, -0.0030316600000000, 0.0085568200000000 ] - [ -0.0001069400000000, 0.0005006700000000, -0.0001244200000000 ] - [ 0.0001229300000000, 0.0004736200000000, -0.0001018600000000 ] - [ -0.0002575100000000, 0.0005380100000000, -0.0001409400000000 ] - [ 0.0002963300000000, 0.0006790600000000, 0.0001021400000000 ] - [ 0.0002186200000000, 0.0001919900000000, 0.0001435700000000 ] - [ -0.0000739000000000, -0.0000310400000000, -0.0000610400000000 ] - [ 0.0002465400000000, 0.0004891800000000, 0.0004919000000000 ] - [ 0.0002059600000000, 0.0004396100000000, 0.0004236400000000 ] - [ 0.0001166600000000, 0.0000175900000000, 0.0000705500000000 ] - [ -0.0001786600000000, -0.0002737100000000, -0.0002520200000000 ] - [ -0.0007285800000000, 0.0000619100000000, 0.0006148300000000 ] - [ -0.0002735500000000, 0.0002102500000000, 0.0005298800000000 ] - [ -0.0003650300000000, 0.0001080200000000, 0.0003625500000000 ] - [ -0.0002001700000000, 0.0003152100000000, 0.0003192100000000 ] - [ -0.0020728500000000, -0.0007209900000000, 0.0013177100000000 ] - [ -0.0181685700000000, 0.0091078600000000, -0.0011339400000000 ] - [ 0.0009279500000000, 0.0011541600000000, 0.0002886400000000 ] - [ -0.0003826600000000, 0.0003961800000000, 0.0001871700000000 ] - [ 0.0002761000000000, 0.0006157200000000, 0.0000957100000000 ] - [ -0.0001014300000000, 0.0004873500000000, 0.0001398000000000 ] - [ 0.0052026200000000, -0.0023178500000000, 0.0025804400000000 ] - [ -0.0013720500000000, 0.0000745900000000, 0.0002678800000000 ] - [ -0.0002555200000000, -0.0004869700000000, -0.0001238900000000 ] - [ 0.0003818000000000, -0.0004160400000000, -0.0002382200000000 ] - [ 0.0000121900000000, -0.0003951700000000, -0.0000979100000000 ] - [ 0.0001592200000000, -0.0003659000000000, -0.0001429700000000 ] - [ -0.0002671700000000, -0.0006043900000000, -0.0001481900000000 ] - [ 0.0006751700000000, -0.0002331300000000, -0.0004858800000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017839100000000, 0.0011910000000000, 0.0002631300000000 ] - [ -0.0005441100000000, 0.0009292800000000, 0.0002247600000000 ] - [ -0.0011327000000000, -0.0025303800000000, -0.0008512000000000 ] - [ -0.0011994300000000, -0.0022698500000000, -0.0007696400000000 ] - [ -0.0028567800000000, -0.0018119700000000, 0.0018467200000000 ] - [ 0.0002354000000000, -0.0015333400000000, 0.0012947700000000 ] - [ 0.0024005700000000, -0.0016032600000000, 0.0023923600000000 ] - [ 0.0000242900000000, -0.0015864000000000, 0.0030443100000000 ] - [ 0.0012712000000000, -0.0021128900000000, 0.0013137900000000 ] - [ 0.0013291900000000, -0.0023695500000000, 0.0012305200000000 ] - [ 0.0023420400000000, 0.0013019200000000, 0.0023763700000000 ] - [ 0.0000420200000000, 0.0016327400000000, 0.0027046000000000 ] - [ -0.0064746100000000, 0.0036919700000000, 0.0062378800000000 ] - [ -0.0004736200000000, 0.0026710900000000, -0.0019006700000000 ] - [ -0.0014154700000000, -0.0044954300000000, -0.0009894600000000 ] - [ -0.0013010400000000, -0.0007277900000000, -0.0010205400000000 ] - [ -0.0057351800000000, -0.0050908300000000, -0.0064094600000000 ] - [ 0.0003394000000000, 0.0004057400000000, -0.0020586600000000 ] - [ 0.0027073900000000, 0.0003852100000000, 0.0000627700000000 ] - [ -0.0017961600000000, -0.0063379300000000, -0.0069179200000000 ] - [ 0.0012560200000000, -0.0006922400000000, 0.0007032700000000 ] - [ 0.0008543200000000, -0.0046747500000000, -0.0000947100000000 ] - [ 0.0022511700000000, 0.0031423400000000, -0.0001667200000000 ] - [ -0.0015667200000000, 0.0114673000000000, -0.0143134300000000 ] - [ -0.0001139100000000, -0.0010522200000000, 0.0015278300000000 ] - [ -0.0000419100000000, -0.0010643200000000, 0.0016167700000000 ] - [ -0.0004270900000000, -0.0001422800000000, 0.0013450900000000 ] - [ -0.0004288400000000, -0.0001563300000000, 0.0013307100000000 ] - [ -0.0001528500000000, -0.0005291700000000, 0.0012053300000000 ] - [ -0.0009932100000000, 0.0000286500000000, 0.0009419000000000 ] - [ -0.0000294900000000, 0.0007552300000000, -0.0013416500000000 ] - [ 0.0009520000000000, 0.0008485400000000, -0.0003566400000000 ] - [ 0.0000874900000000, 0.0010782300000000, -0.0015274700000000 ] - [ -0.0001925600000000, 0.0018880100000000, -0.0016072200000000 ] - [ 0.0005735500000000, 0.0001107700000000, -0.0013032300000000 ] - [ -0.0053313200000000, 0.0137867400000000, -0.0018127400000000 ] - [ 0.0023615000000000, 0.0092129800000000, -0.0077505200000000 ] - [ 0.0013924900000000, -0.0005577700000000, 0.0003488000000000 ] - [ 0.0013677700000000, 0.0006268000000000, -0.0005142500000000 ] - [ 0.0013852800000000, 0.0000157400000000, -0.0000405000000000 ] - [ 0.0017675100000000, -0.0009565400000000, 0.0013413100000000 ] - [ 0.0013450000000000, -0.0005683900000000, 0.0004595100000000 ] - [ 0.0000456400000000, 0.0024036000000000, 0.0017663700000000 ] - [ -0.0000475500000000, 0.0010054500000000, 0.0015131200000000 ] - [ 0.0002866900000000, 0.0021923400000000, 0.0016525300000000 ] - [ -0.0003251200000000, 0.0008245000000000, 0.0015601200000000 ] - [ -0.0012217200000000, -0.0055964300000000, 0.0014610100000000 ] - [ -0.0005159400000000, 0.0000150600000000, 0.0014904500000000 ] - [ 0.0015203300000000, -0.0004442900000000, -0.0003585800000000 ] - [ 0.0011255100000000, -0.0003950600000000, -0.0005349900000000 ] - [ 0.0013675800000000, 0.0006241300000000, 0.0004441100000000 ] - [ 0.0014597200000000, 0.0005575400000000, 0.0003784700000000 ] - [ 0.0016071000000000, 0.0003449700000000, -0.0002735000000000 ] - [ 0.0012608700000000, 0.0002379900000000, -0.0001532800000000 ] - [ -0.0004914100000000, -0.0016304000000000, -0.0020078500000000 ] - [ 0.0001595900000000, -0.0012618900000000, -0.0017865700000000 ] - [ 0.0002152500000000, -0.0004520900000000, -0.0014325000000000 ] - [ 0.0004861500000000, -0.0002646300000000, -0.0014024400000000 ] - [ 0.0004265400000000, -0.0003574200000000, -0.0014000600000000 ] - [ 0.0003899700000000, -0.0003184100000000, -0.0014045500000000 ] - [ -0.0014428100000000, -0.0001011300000000, 0.0001047300000000 ] - [ -0.0014780300000000, 0.0011850500000000, 0.0011643100000000 ] - [ -0.0014181200000000, -0.0000394100000000, 0.0000531700000000 ] - [ -0.0012069900000000, 0.0011302300000000, 0.0006222000000000 ] - [ -0.0014820900000000, -0.0006144000000000, -0.0003152300000000 ] - [ -0.0035790400000000, -0.0035954500000000, -0.0062984800000000 ] - [ -0.0017011600000000, 0.0008239500000000, -0.0008176300000000 ] - [ -0.0011051900000000, 0.0008462100000000, -0.0009949800000000 ] - [ -0.0014184500000000, 0.0005695200000000, -0.0003721500000000 ] - [ -0.0013962500000000, 0.0006109800000000, -0.0003593300000000 ] - [ -0.0014271300000000, 0.0000509300000000, -0.0000079400000000 ] - [ -0.0013239700000000, -0.0000798000000000, 0.0000841800000000 ] - [ -0.0086005700000000, 0.0071580500000000, -0.0056594500000000 ] - [ 0.0006838900000000, -0.0002530200000000, -0.0003125500000000 ] - [ -0.0000892200000000, 0.0006304300000000, 0.0000485800000000 ] - [ 0.0002919300000000, 0.0003183800000000, -0.0002437900000000 ] - [ 0.0008617100000000, 0.0005424100000000, 0.0001344700000000 ] - [ -0.0007040900000000, 0.0005333700000000, 0.0003269000000000 ] - [ 0.0251826300000000, -0.0669562000000000, 0.0384654600000000 ] - [ 0.0003343400000000, -0.0012335100000000, 0.0012863000000000 ] - [ -0.0002249900000000, 0.0013960600000000, -0.0000211200000000 ] - [ -0.0000167000000000, 0.0000720100000000, 0.0001866400000000 ] - [ 0.0001435000000000, 0.0013954800000000, 0.0002240600000000 ] - [ -0.0000587300000000, 0.0000591900000000, 0.0002762900000000 ] - [ 0.0005263500000000, -0.0001372700000000, -0.0005838400000000 ] - [ 0.0002700700000000, -0.0002102000000000, -0.0004454500000000 ] - [ 0.0004682800000000, 0.0000998300000000, -0.0005004300000000 ] - [ 0.0005543400000000, 0.0001037900000000, -0.0005078300000000 ] - [ 0.0006957000000000, 0.0001497200000000, -0.0008384400000000 ] - [ 0.0005509600000000, 0.0000555800000000, -0.0007091500000000 ] - [ 0.0004402300000000, -0.0004677900000000, -0.0001944900000000 ] - [ -0.0003211100000000, -0.0003955200000000, 0.0000729800000000 ] - [ -0.0002428500000000, -0.0002206200000000, 0.0001971300000000 ] - [ -0.0001321600000000, -0.0002932600000000, 0.0001205200000000 ] - [ 0.0009169800000000, -0.0010033100000000, -0.0004410000000000 ] - [ -0.0002055400000000, -0.0005089100000000, 0.0000259300000000 ] - [ -0.0004669500000000, 0.0007799000000000, -0.0009653500000000 ] - [ -0.0004184200000000, 0.0008525200000000, -0.0010658500000000 ] - [ -0.0005144100000000, 0.0008699300000000, -0.0010214300000000 ] - [ -0.0003729800000000, 0.0008597800000000, -0.0009950300000000 ] - [ -0.0003315700000000, 0.0003010400000000, -0.0007438600000000 ] - [ 0.0000323800000000, -0.0000221200000000, -0.0006468900000000 ] - [ -0.0005172400000000, -0.0000582000000000, 0.0002366300000000 ] - [ -0.0000667100000000, -0.0002472200000000, 0.0000199900000000 ] - [ -0.0004861200000000, 0.0000229200000000, 0.0004097000000000 ] - [ -0.0004224700000000, 0.0000289600000000, 0.0004072600000000 ] - [ -0.0001561000000000, -0.0003109100000000, 0.0000323700000000 ] - [ 0.0000106600000000, -0.0003654600000000, -0.0001372000000000 ] - [ -0.0004953800000000, -0.0004918000000000, -0.0004341600000000 ] - [ 0.0043499000000000, 0.0149237400000000, -0.0003687600000000 ] - [ 0.0000540100000000, 0.0002811800000000, 0.0000599200000000 ] - [ 0.0006105500000000, 0.0015848700000000, 0.0010786700000000 ] - [ -0.0003623700000000, -0.0004908700000000, -0.0003264100000000 ] - [ 0.0003274500000000, 0.0146409600000000, 0.0081386300000000 ] - [ -0.0006062500000000, 0.0004360600000000, 0.0001031000000000 ] - [ 0.0051846600000000, -0.0020648400000000, -0.0051044500000000 ] - [ -0.0001568500000000, 0.0005715800000000, -0.0001036200000000 ] - [ -0.0000947700000000, 0.0007928600000000, -0.0001562100000000 ] - [ -0.0001952400000000, 0.0005522500000000, -0.0001404200000000 ] - [ 0.0000028900000000, 0.0013649300000000, 0.0006059000000000 ] - [ 0.0000457700000000, -0.0002028800000000, -0.0004261900000000 ] - [ -0.0001651600000000, -0.0002147400000000, -0.0002520700000000 ] - [ 0.0003525100000000, 0.0008026700000000, 0.0006848600000000 ] - [ 0.0003135500000000, 0.0006849000000000, 0.0005965600000000 ] - [ -0.0001035500000000, -0.0004605600000000, -0.0005155600000000 ] - [ -0.0003665400000000, -0.0005979700000000, -0.0006416000000000 ] - [ -0.0009813900000000, 0.0000217300000000, 0.0007577900000000 ] - [ 0.0003238400000000, 0.0007701000000000, 0.0006313000000000 ] - [ -0.0001657700000000, 0.0002687200000000, 0.0002607600000000 ] - [ -0.0001274300000000, 0.0005962400000000, 0.0002087200000000 ] - [ -0.0008134200000000, -0.0004424500000000, 0.0009706800000000 ] - [ -0.0103899100000000, -0.0007938800000000, 0.0023758900000000 ] - [ 0.0006035600000000, 0.0016076200000000, 0.0009636700000000 ] - [ -0.0002411000000000, 0.0004382700000000, 0.0001863900000000 ] - [ 0.0005343600000000, 0.0008968100000000, 0.0000535700000000 ] - [ -0.0000372100000000, 0.0005694600000000, 0.0001584200000000 ] - [ 0.0041507700000000, 0.0121931900000000, -0.0089081100000000 ] - [ -0.0011114100000000, 0.0000435100000000, 0.0003675400000000 ] - [ -0.0002724500000000, -0.0005385200000000, -0.0001399500000000 ] - [ 0.0001005200000000, -0.0006364700000000, -0.0001669800000000 ] - [ 0.0001041400000000, -0.0003253000000000, -0.0001214000000000 ] - [ 0.0001897100000000, -0.0002604300000000, -0.0001630400000000 ] - [ -0.0003295100000000, -0.0006238400000000, -0.0002129000000000 ] - [ 0.0010878500000000, -0.0000212100000000, -0.0008992000000000 ]- atom: 79 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007285500000000, -0.0029067600000000, -0.0021307700000000 ] - [ -0.0019769600000000, -0.0026452500000000, -0.0020966100000000 ] - [ -0.0013729200000000, 0.0007862000000000, -0.0010078000000000 ] - [ -0.0013127500000000, 0.0005502300000000, -0.0010764300000000 ] - [ 0.0003496100000000, 0.0000616700000000, -0.0037750900000000 ] - [ -0.0027437100000000, -0.0002233100000000, -0.0031940300000000 ] - [ 0.0001117900000000, -0.0001151800000000, -0.0005116200000000 ] - [ 0.0024928100000000, -0.0001212000000000, -0.0011701700000000 ] - [ 0.0012460700000000, 0.0003763100000000, 0.0005799400000000 ] - [ 0.0011786200000000, 0.0006277300000000, 0.0006712500000000 ] - [ 0.0001588400000000, -0.0030689100000000, -0.0005173300000000 ] - [ 0.0024722500000000, -0.0033911500000000, -0.0008392900000000 ] - [ 0.0037983600000000, -0.0016204900000000, -0.0087266300000000 ] - [ -0.0020315300000000, -0.0009463300000000, 0.0000568300000000 ] - [ -0.0010905500000000, 0.0062357400000000, -0.0008954600000000 ] - [ -0.0012150800000000, 0.0024663300000000, -0.0008671000000000 ] - [ 0.0032680100000000, 0.0068578800000000, 0.0045390800000000 ] - [ -0.0028714100000000, 0.0013286000000000, 0.0001384100000000 ] - [ -0.0001963800000000, 0.0013774200000000, 0.0018197500000000 ] - [ 0.0043011500000000, 0.0081056600000000, 0.0087653200000000 ] - [ 0.0012551600000000, 0.0024345100000000, 0.0011698500000000 ] - [ 0.0016491700000000, 0.0064408300000000, 0.0019513400000000 ] - [ 0.0002493500000000, -0.0014443000000000, 0.0020587900000000 ] - [ 0.0050520700000000, -0.0108672500000000, 0.0173348700000000 ] - [ -0.0004197500000000, -0.0001704300000000, 0.0013936900000000 ] - [ -0.0004641000000000, -0.0001837200000000, 0.0013160600000000 ] - [ -0.0000877900000000, -0.0011599300000000, 0.0016086600000000 ] - [ -0.0000419500000000, -0.0011451600000000, 0.0016299400000000 ] - [ -0.0003839000000000, -0.0007747600000000, 0.0017055600000000 ] - [ 0.0004966600000000, -0.0013746500000000, 0.0019805500000000 ] - [ 0.0005502500000000, 0.0005567900000000, -0.0015815400000000 ] - [ -0.0004099700000000, 0.0004418900000000, -0.0025566400000000 ] - [ 0.0003848000000000, 0.0002478100000000, -0.0014125600000000 ] - [ 0.0007102800000000, -0.0006058300000000, -0.0013248400000000 ] - [ -0.0000566200000000, 0.0011190900000000, -0.0016201200000000 ] - [ 0.0059238900000000, -0.0127397500000000, -0.0011010000000000 ] - [ 0.0004422600000000, -0.0097971800000000, 0.0080905700000000 ] - [ 0.0014516900000000, -0.0001049500000000, 0.0000219600000000 ] - [ 0.0014059700000000, -0.0012058700000000, 0.0008520700000000 ] - [ 0.0014242800000000, -0.0006059500000000, 0.0003904100000000 ] - [ 0.0010234100000000, 0.0002351500000000, -0.0009801700000000 ] - [ 0.0014608200000000, -0.0001624200000000, -0.0000841000000000 ] - [ -0.0005826200000000, -0.0011511700000000, 0.0011353900000000 ] - [ -0.0004705600000000, 0.0002460200000000, 0.0013907700000000 ] - [ -0.0008434600000000, -0.0009137600000000, 0.0012562500000000 ] - [ -0.0001915700000000, 0.0004832000000000, 0.0013631500000000 ] - [ 0.0007278500000000, 0.0067669800000000, 0.0015768000000000 ] - [ 0.0000082400000000, 0.0012259600000000, 0.0014637400000000 ] - [ 0.0012833000000000, 0.0010264000000000, 0.0007042300000000 ] - [ 0.0016613400000000, 0.0010112000000000, 0.0009262200000000 ] - [ 0.0014632200000000, 0.0000652100000000, -0.0000380900000000 ] - [ 0.0013748400000000, 0.0001328100000000, 0.0000247400000000 ] - [ 0.0011786000000000, 0.0003771100000000, 0.0006269000000000 ] - [ 0.0015545600000000, 0.0004873100000000, 0.0005342400000000 ] - [ 0.0009968300000000, 0.0003745600000000, -0.0009289800000000 ] - [ 0.0003611600000000, -0.0000023400000000, -0.0011442900000000 ] - [ 0.0002997900000000, -0.0008264300000000, -0.0015127900000000 ] - [ 0.0000637900000000, -0.0010116500000000, -0.0015327800000000 ] - [ 0.0000855400000000, -0.0009033500000000, -0.0015148800000000 ] - [ 0.0001659100000000, -0.0009110700000000, -0.0014864700000000 ] - [ -0.0013702800000000, -0.0006139500000000, -0.0004680100000000 ] - [ -0.0013159900000000, -0.0019160800000000, -0.0015382200000000 ] - [ -0.0014312500000000, -0.0006304300000000, -0.0004265100000000 ] - [ -0.0016058100000000, -0.0017992200000000, -0.0010079900000000 ] - [ -0.0013169200000000, -0.0000092700000000, -0.0000615100000000 ] - [ 0.0007819700000000, 0.0030688600000000, 0.0059021400000000 ] - [ -0.0011012200000000, -0.0000794400000000, 0.0004256600000000 ] - [ -0.0016960300000000, -0.0000962600000000, 0.0005973300000000 ] - [ -0.0013789600000000, 0.0000353500000000, -0.0000244800000000 ] - [ -0.0013868300000000, -0.0000213900000000, 0.0000007800000000 ] - [ -0.0014074300000000, 0.0005713500000000, -0.0003318800000000 ] - [ -0.0014933700000000, 0.0007058200000000, -0.0003922000000000 ] - [ 0.0092126100000000, -0.0069893600000000, 0.0048280100000000 ] - [ 0.0000792500000000, 0.0003389700000000, -0.0004124400000000 ] - [ 0.0008483700000000, -0.0004000100000000, -0.0008092900000000 ] - [ 0.0004817700000000, -0.0000852000000000, -0.0004974800000000 ] - [ -0.0001067200000000, -0.0004108400000000, -0.0008951300000000 ] - [ 0.0014910900000000, -0.0004126100000000, -0.0011056400000000 ] - [ -0.0255550200000000, 0.0673227400000000, -0.0382294100000000 ] - [ 0.0000138100000000, 0.0005568200000000, -0.0004522300000000 ] - [ 0.0005670700000000, -0.0019717300000000, 0.0008119800000000 ] - [ 0.0003469600000000, -0.0006276900000000, 0.0006020600000000 ] - [ 0.0002215900000000, -0.0019835300000000, 0.0006050900000000 ] - [ 0.0004135300000000, -0.0006443700000000, 0.0005597900000000 ] - [ 0.0002291900000000, -0.0000589300000000, -0.0001766000000000 ] - [ 0.0005229400000000, 0.0000145000000000, -0.0003328100000000 ] - [ 0.0002649300000000, -0.0001930200000000, -0.0002402400000000 ] - [ 0.0002433000000000, -0.0001915600000000, -0.0002389700000000 ] - [ 0.0000326000000000, -0.0003017700000000, 0.0000818600000000 ] - [ 0.0002402900000000, -0.0002176100000000, -0.0000375300000000 ] - [ -0.0005618300000000, -0.0004972900000000, 0.0004280700000000 ] - [ 0.0002548100000000, -0.0005618800000000, 0.0001505400000000 ] - [ 0.0001175900000000, -0.0005810500000000, 0.0000962100000000 ] - [ 0.0000475800000000, -0.0005040700000000, 0.0001609700000000 ] - [ -0.0010024900000000, 0.0001107300000000, 0.0006597200000000 ] - [ 0.0001298300000000, -0.0003903400000000, 0.0001788300000000 ] - [ 0.0001043200000000, -0.0001555900000000, 0.0001347300000000 ] - [ 0.0000584100000000, -0.0002390800000000, 0.0002240300000000 ] - [ 0.0001788000000000, -0.0003232600000000, 0.0002418400000000 ] - [ 0.0000364000000000, -0.0002920100000000, 0.0002126600000000 ] - [ -0.0000500600000000, 0.0003608400000000, -0.0000952900000000 ] - [ -0.0003932200000000, 0.0006664500000000, -0.0001860100000000 ] - [ -0.0002722200000000, -0.0000434100000000, 0.0005225600000000 ] - [ -0.0006664900000000, 0.0001412800000000, 0.0007190100000000 ] - [ -0.0003176400000000, -0.0002538400000000, 0.0003551900000000 ] - [ -0.0003123000000000, -0.0002616400000000, 0.0003525500000000 ] - [ -0.0006337500000000, 0.0001864700000000, 0.0007160200000000 ] - [ -0.0007763600000000, 0.0002635200000000, 0.0008952200000000 ] - [ 0.0001304100000000, -0.0001032900000000, -0.0004030900000000 ] - [ -0.0046218500000000, -0.0152259600000000, -0.0005404400000000 ] - [ -0.0004158300000000, -0.0008910400000000, -0.0008798600000000 ] - [ -0.0009830100000000, -0.0022201000000000, -0.0019054300000000 ] - [ 0.0000208300000000, -0.0001087000000000, -0.0004494800000000 ] - [ -0.0006024300000000, -0.0155180900000000, -0.0090440500000000 ] - [ 0.0007058100000000, 0.0004255000000000, -0.0003137800000000 ] - [ -0.0051275700000000, 0.0028497900000000, 0.0050224400000000 ] - [ 0.0002792900000000, 0.0002284200000000, -0.0002127400000000 ] - [ 0.0002000400000000, 0.0000048000000000, -0.0001293500000000 ] - [ 0.0002639600000000, 0.0004314500000000, -0.0001282400000000 ] - [ 0.0000911400000000, -0.0003754500000000, -0.0008611400000000 ] - [ 0.0002738300000000, 0.0007931700000000, 0.0011856800000000 ] - [ 0.0005054900000000, 0.0008173000000000, 0.0010109400000000 ] - [ -0.0000029000000000, -0.0001757500000000, 0.0001434000000000 ] - [ 0.0000604700000000, -0.0000565600000000, 0.0002206400000000 ] - [ 0.0004608400000000, 0.0010555600000000, 0.0013606500000000 ] - [ 0.0007374100000000, 0.0011539700000000, 0.0014779300000000 ] - [ 0.0002271300000000, 0.0001256000000000, -0.0000063100000000 ] - [ -0.0010743600000000, -0.0006303100000000, 0.0001464300000000 ] - [ -0.0006219400000000, -0.0001574500000000, 0.0004893200000000 ] - [ -0.0006210100000000, -0.0004721200000000, 0.0005485200000000 ] - [ 0.0000649700000000, 0.0006337000000000, -0.0002243400000000 ] - [ 0.0096297500000000, 0.0010784100000000, -0.0016407500000000 ] - [ -0.0006975700000000, -0.0006175700000000, -0.0006910500000000 ] - [ 0.0001152000000000, 0.0005461300000000, 0.0000867300000000 ] - [ -0.0006258100000000, -0.0000085100000000, 0.0001615700000000 ] - [ -0.0000431300000000, 0.0003274500000000, 0.0000785900000000 ] - [ -0.0043474400000000, -0.0116483100000000, 0.0094114400000000 ] - [ 0.0009915200000000, 0.0007202300000000, -0.0000878600000000 ] - [ 0.0003565200000000, -0.0002335300000000, -0.0001180400000000 ] - [ 0.0000155900000000, -0.0001464300000000, -0.0001263100000000 ] - [ -0.0000401300000000, -0.0005486300000000, -0.0000624300000000 ] - [ -0.0000897600000000, -0.0006386700000000, -0.0000405200000000 ] - [ 0.0004222000000000, -0.0003849600000000, -0.0000488500000000 ] - [ -0.0009949500000000, -0.0009620900000000, 0.0006169700000000 ]- atom: 79 displacement: [ -0.0017265176572465, 0.0000000000000000, 0.0098498292766533 ] forces: - [ -0.0001721400000000, -0.0027737000000000, -0.0048440900000000 ] - [ -0.0022546100000000, -0.0020443700000000, -0.0027244300000000 ] - [ -0.0012852500000000, 0.0001872500000000, -0.0016217500000000 ] - [ -0.0014754200000000, 0.0000793200000000, -0.0014808400000000 ] - [ 0.0002079500000000, 0.0001089500000000, -0.0040177800000000 ] - [ -0.0026559300000000, -0.0003115400000000, -0.0033434200000000 ] - [ -0.0000391200000000, -0.0000002900000000, -0.0007355400000000 ] - [ 0.0026346200000000, 0.0000131100000000, -0.0019345600000000 ] - [ 0.0011052500000000, -0.0001109400000000, 0.0003382800000000 ] - [ 0.0013189000000000, 0.0000543000000000, 0.0002981100000000 ] - [ -0.0001928700000000, -0.0028646200000000, -0.0011601100000000 ] - [ 0.0029315400000000, -0.0031518300000000, -0.0024445700000000 ] - [ 0.0074583500000000, 0.0075528400000000, 0.0267641000000000 ] - [ -0.0017588000000000, -0.0000385200000000, 0.0006363800000000 ] - [ -0.0008277400000000, 0.0042781200000000, 0.0003634900000000 ] - [ -0.0013642500000000, 0.0019065200000000, -0.0005237200000000 ] - [ 0.0001164300000000, 0.0014439300000000, 0.0026758900000000 ] - [ -0.0023691400000000, 0.0011650200000000, 0.0001799800000000 ] - [ 0.0004370100000000, 0.0009775900000000, 0.0021469600000000 ] - [ 0.0021911100000000, 0.0011548200000000, 0.0078230900000000 ] - [ 0.0011651300000000, 0.0018590600000000, 0.0013815600000000 ] - [ 0.0019504900000000, 0.0042968100000000, 0.0025676800000000 ] - [ 0.0011295500000000, -0.0005115300000000, 0.0022834200000000 ] - [ -0.0057891200000000, 0.0146706400000000, 0.0252691900000000 ] - [ -0.0005404100000000, -0.0001479400000000, 0.0014469600000000 ] - [ -0.0002829400000000, -0.0004264000000000, 0.0014365600000000 ] - [ -0.0001612400000000, -0.0009880400000000, 0.0015743800000000 ] - [ -0.0000835900000000, -0.0010148500000000, 0.0015919900000000 ] - [ -0.0003250700000000, -0.0009170000000000, 0.0017705700000000 ] - [ 0.0004103700000000, -0.0013459900000000, 0.0019432000000000 ] - [ 0.0002785100000000, 0.0007770100000000, -0.0016305100000000 ] - [ -0.0000595600000000, 0.0023479300000000, -0.0022443700000000 ] - [ 0.0003214700000000, 0.0004357500000000, -0.0014506800000000 ] - [ 0.0005329000000000, -0.0000118100000000, -0.0014276000000000 ] - [ -0.0000114100000000, 0.0009425100000000, -0.0015917400000000 ] - [ 0.0061689400000000, -0.0133232900000000, -0.0007895900000000 ] - [ -0.0010078900000000, -0.0120348200000000, 0.0108486500000000 ] - [ 0.0014386600000000, -0.0001421700000000, -0.0000133100000000 ] - [ 0.0014060600000000, -0.0007550100000000, 0.0005094600000000 ] - [ 0.0014261400000000, -0.0004648700000000, 0.0002644700000000 ] - [ 0.0011718200000000, 0.0005130500000000, -0.0007236600000000 ] - [ 0.0014342600000000, -0.0001678600000000, -0.0000867200000000 ] - [ -0.0005598300000000, -0.0008087700000000, 0.0010214300000000 ] - [ -0.0004072400000000, 0.0003465500000000, 0.0013562200000000 ] - [ -0.0003797000000000, 0.0003059500000000, 0.0013052300000000 ] - [ -0.0002151000000000, 0.0005562800000000, 0.0013810400000000 ] - [ 0.0064832800000000, 0.0018864600000000, 0.0117726100000000 ] - [ -0.0002395700000000, 0.0008812400000000, 0.0013604900000000 ] - [ 0.0010349800000000, 0.0013396500000000, 0.0017920900000000 ] - [ 0.0016648100000000, 0.0009596300000000, 0.0009398900000000 ] - [ 0.0014271100000000, 0.0003136700000000, 0.0002400400000000 ] - [ 0.0014292400000000, 0.0003035500000000, 0.0002131100000000 ] - [ 0.0011915500000000, 0.0004005900000000, 0.0005968200000000 ] - [ 0.0015329400000000, 0.0005091400000000, 0.0005305800000000 ] - [ 0.0011169300000000, 0.0004250100000000, -0.0008352200000000 ] - [ 0.0002748500000000, -0.0000340400000000, -0.0010252200000000 ] - [ 0.0002998200000000, -0.0008281100000000, -0.0015068600000000 ] - [ 0.0000424500000000, -0.0010443600000000, -0.0015248200000000 ] - [ 0.0002146800000000, -0.0007056900000000, -0.0014221400000000 ] - [ 0.0002001600000000, -0.0007479100000000, -0.0014177700000000 ] - [ -0.0013804800000000, -0.0005171900000000, -0.0003645700000000 ] - [ -0.0013081800000000, -0.0009447800000000, -0.0006678500000000 ] - [ -0.0014289600000000, -0.0005803300000000, -0.0004022300000000 ] - [ -0.0016252800000000, -0.0015851600000000, -0.0009582700000000 ] - [ -0.0013990000000000, -0.0001970300000000, -0.0002070800000000 ] - [ 0.0055344100000000, -0.0055978300000000, 0.0080543600000000 ] - [ -0.0010536500000000, -0.0001668800000000, 0.0004917300000000 ] - [ -0.0017890800000000, -0.0003525700000000, 0.0008627000000000 ] - [ -0.0013713300000000, 0.0000973900000000, -0.0000494200000000 ] - [ -0.0014079500000000, 0.0000522300000000, -0.0000047700000000 ] - [ -0.0013629300000000, 0.0004358400000000, -0.0001984600000000 ] - [ -0.0016087900000000, 0.0005148200000000, -0.0000012500000000 ] - [ 0.0064457300000000, -0.0045100000000000, -0.0033310000000000 ] - [ 0.0002761100000000, 0.0001529000000000, -0.0006443200000000 ] - [ 0.0007537700000000, -0.0002201000000000, -0.0008343700000000 ] - [ 0.0005251600000000, -0.0000381800000000, -0.0005474600000000 ] - [ 0.0004396000000000, -0.0002134200000000, -0.0010220900000000 ] - [ 0.0011530200000000, -0.0002917200000000, -0.0009779600000000 ] - [ -0.0100533200000000, 0.0327499900000000, -0.0897575200000000 ] - [ -0.0000636500000000, 0.0004755100000000, -0.0005117400000000 ] - [ 0.0000008000000000, -0.0004642300000000, -0.0003130400000000 ] - [ 0.0002223000000000, -0.0003660100000000, 0.0003336300000000 ] - [ -0.0000243200000000, -0.0006198900000000, -0.0003013100000000 ] - [ 0.0003127200000000, -0.0004623800000000, 0.0003714200000000 ] - [ -0.0001358700000000, -0.0003089300000000, 0.0002719100000000 ] - [ 0.0004588400000000, -0.0000670600000000, -0.0002101200000000 ] - [ 0.0002206300000000, -0.0001960400000000, -0.0001712400000000 ] - [ 0.0002761000000000, -0.0001697500000000, -0.0002187300000000 ] - [ 0.0000066600000000, -0.0002952400000000, 0.0001236200000000 ] - [ 0.0002345000000000, -0.0002047500000000, -0.0000282300000000 ] - [ -0.0006382600000000, -0.0005189200000000, 0.0005085800000000 ] - [ 0.0002972700000000, -0.0005718000000000, 0.0001610500000000 ] - [ -0.0000307200000000, -0.0004757200000000, 0.0002079900000000 ] - [ 0.0000619200000000, -0.0004808400000000, 0.0001828900000000 ] - [ -0.0012275700000000, 0.0001938500000000, 0.0009423700000000 ] - [ 0.0002428100000000, -0.0004501700000000, 0.0002000500000000 ] - [ 0.0001300000000000, -0.0001778700000000, 0.0002232000000000 ] - [ 0.0000885900000000, -0.0002859300000000, 0.0004619100000000 ] - [ 0.0001823500000000, -0.0002936500000000, 0.0002755100000000 ] - [ 0.0000441600000000, -0.0002658800000000, 0.0002739800000000 ] - [ 0.0001233900000000, 0.0000339900000000, 0.0002851700000000 ] - [ -0.0000916200000000, 0.0000473400000000, 0.0005876200000000 ] - [ -0.0002789200000000, -0.0000405100000000, 0.0005843900000000 ] - [ -0.0007585900000000, 0.0002090700000000, 0.0008703500000000 ] - [ -0.0003859700000000, -0.0001847000000000, 0.0004383300000000 ] - [ -0.0003816600000000, -0.0001829900000000, 0.0004509600000000 ] - [ -0.0006644700000000, 0.0001886600000000, 0.0008155100000000 ] - [ -0.0009213200000000, 0.0003272600000000, 0.0011123200000000 ] - [ -0.0000681900000000, -0.0003886700000000, -0.0007333500000000 ] - [ -0.0032816500000000, -0.0086856700000000, -0.0053088200000000 ] - [ -0.0003430300000000, -0.0007236000000000, -0.0008009300000000 ] - [ -0.0008483800000000, -0.0016405600000000, -0.0017036100000000 ] - [ -0.0001322800000000, -0.0003548800000000, -0.0007170200000000 ] - [ -0.0020243500000000, 0.0004455900000000, -0.0050627900000000 ] - [ 0.0007450400000000, 0.0003581000000000, -0.0003908100000000 ] - [ -0.0107027500000000, -0.0037373600000000, 0.0164837100000000 ] - [ 0.0002648000000000, 0.0002747600000000, -0.0002506700000000 ] - [ 0.0000665200000000, 0.0001883200000000, -0.0002719500000000 ] - [ 0.0002709900000000, 0.0004344900000000, -0.0001853100000000 ] - [ -0.0001253700000000, 0.0003548700000000, -0.0003688600000000 ] - [ 0.0004176000000000, 0.0010761500000000, 0.0018404900000000 ] - [ 0.0005706800000000, 0.0008766300000000, 0.0011638400000000 ] - [ 0.0001133500000000, 0.0000858300000000, 0.0004269700000000 ] - [ 0.0001780900000000, 0.0001626800000000, 0.0004411000000000 ] - [ 0.0005232700000000, 0.0011753000000000, 0.0015885000000000 ] - [ 0.0007899200000000, 0.0012235100000000, 0.0015878800000000 ] - [ 0.0000895900000000, 0.0001323300000000, -0.0000163200000000 ] - [ -0.0003615400000000, -0.0000791000000000, -0.0003562400000000 ] - [ -0.0004530900000000, -0.0000413100000000, 0.0003682300000000 ] - [ -0.0005078000000000, -0.0002177600000000, 0.0003639600000000 ] - [ -0.0003187700000000, 0.0003454000000000, -0.0001213100000000 ] - [ 0.0016514800000000, 0.0021897000000000, -0.0052730300000000 ] - [ 0.0002059700000000, 0.0008441300000000, -0.0005939200000000 ] - [ 0.0001164400000000, 0.0005432100000000, 0.0000530500000000 ] - [ -0.0005043400000000, 0.0001873700000000, 0.0000847500000000 ] - [ -0.0000005700000000, 0.0003812300000000, 0.0000853800000000 ] - [ -0.0028936600000000, -0.0115159000000000, 0.0056795100000000 ] - [ 0.0006934500000000, 0.0006231900000000, -0.0000841500000000 ] - [ 0.0003257900000000, -0.0002694000000000, -0.0000641000000000 ] - [ -0.0001536600000000, -0.0002678500000000, 0.0001632600000000 ] - [ 0.0000132300000000, -0.0005054600000000, -0.0000555700000000 ] - [ -0.0000792000000000, -0.0005839100000000, -0.0000166200000000 ] - [ 0.0003766700000000, -0.0004033900000000, -0.0000287100000000 ] - [ -0.0009435800000000, -0.0009443600000000, 0.0006020700000000 ]- atom: 79 displacement: [ 0.0017265176572465, 0.0000000000000000, -0.0098498292766533 ] forces: - [ -0.0023846100000000, 0.0010736200000000, 0.0029336200000000 ] - [ -0.0002952000000000, 0.0003492500000000, 0.0008067400000000 ] - [ -0.0012573900000000, -0.0019410400000000, -0.0002907800000000 ] - [ -0.0010769300000000, -0.0018052700000000, -0.0004278000000000 ] - [ -0.0027704500000000, -0.0018371000000000, 0.0020537600000000 ] - [ 0.0001244100000000, -0.0014354200000000, 0.0014061000000000 ] - [ 0.0026027100000000, -0.0017355100000000, 0.0026929800000000 ] - [ -0.0001060700000000, -0.0017485100000000, 0.0038971400000000 ] - [ 0.0014478600000000, -0.0016226500000000, 0.0016219800000000 ] - [ 0.0012278200000000, -0.0017964700000000, 0.0016695400000000 ] - [ 0.0027478800000000, 0.0011407500000000, 0.0030938100000000 ] - [ -0.0004051100000000, 0.0014523000000000, 0.0044033300000000 ] - [ -0.0107962100000000, -0.0048637100000000, -0.0305808200000000 ] - [ -0.0007679700000000, 0.0017672600000000, -0.0025497700000000 ] - [ -0.0017218500000000, -0.0025789400000000, -0.0023279800000000 ] - [ -0.0011863100000000, -0.0001956300000000, -0.0014316200000000 ] - [ -0.0027113600000000, 0.0002273200000000, -0.0046966200000000 ] - [ -0.0001838000000000, 0.0005625000000000, -0.0021810100000000 ] - [ 0.0021201300000000, 0.0007651400000000, -0.0002157500000000 ] - [ 0.0003457800000000, 0.0006241200000000, -0.0058935900000000 ] - [ 0.0013879000000000, -0.0001410900000000, 0.0005590400000000 ] - [ 0.0005919400000000, -0.0025907200000000, -0.0006443200000000 ] - [ 0.0014288700000000, 0.0022291800000000, -0.0003378400000000 ] - [ 0.0087539600000000, -0.0134261100000000, -0.0228658200000000 ] - [ 0.0000364400000000, -0.0011323300000000, 0.0014827900000000 ] - [ -0.0002007200000000, -0.0008690900000000, 0.0015032700000000 ] - [ -0.0003311900000000, -0.0003548900000000, 0.0013886600000000 ] - [ -0.0003654000000000, -0.0003308500000000, 0.0013771000000000 ] - [ -0.0001758300000000, -0.0004576400000000, 0.0011547200000000 ] - [ -0.0008886900000000, -0.0000476300000000, 0.0009840300000000 ] - [ 0.0002179900000000, 0.0005855800000000, -0.0013034500000000 ] - [ 0.0005705700000000, -0.0010195200000000, -0.0006830800000000 ] - [ 0.0001223000000000, 0.0009522700000000, -0.0015016500000000 ] - [ -0.0000464100000000, 0.0013569200000000, -0.0015184700000000 ] - [ 0.0005056600000000, 0.0003317800000000, -0.0013386600000000 ] - [ -0.0056676700000000, 0.0145617900000000, -0.0020875500000000 ] - [ 0.0038850200000000, 0.0115522200000000, -0.0107209600000000 ] - [ 0.0014106600000000, -0.0005611900000000, 0.0004293700000000 ] - [ 0.0013682100000000, 0.0001359100000000, -0.0001221100000000 ] - [ 0.0013856900000000, -0.0001720800000000, 0.0001381000000000 ] - [ 0.0016272600000000, -0.0013017000000000, 0.0011653000000000 ] - [ 0.0013730500000000, -0.0006272800000000, 0.0005305800000000 ] - [ 0.0000610300000000, 0.0021359600000000, 0.0018992700000000 ] - [ -0.0000842000000000, 0.0009667600000000, 0.0015618700000000 ] - [ -0.0001410700000000, 0.0010474000000000, 0.0016148700000000 ] - [ -0.0002710200000000, 0.0008152800000000, 0.0015555900000000 ] - [ -0.0071676900000000, -0.0006436000000000, -0.0090445700000000 ] - [ -0.0002521600000000, 0.0003926200000000, 0.0016012100000000 ] - [ 0.0017712200000000, -0.0007096500000000, -0.0013876800000000 ] - [ 0.0011187300000000, -0.0002996300000000, -0.0005045600000000 ] - [ 0.0014104800000000, 0.0004308800000000, 0.0002217800000000 ] - [ 0.0014048500000000, 0.0004344600000000, 0.0002383400000000 ] - [ 0.0015971900000000, 0.0003706100000000, -0.0001920400000000 ] - [ 0.0012843400000000, 0.0002534700000000, -0.0001087100000000 ] - [ -0.0006496100000000, -0.0017515400000000, -0.0021230600000000 ] - [ 0.0002099800000000, -0.0013095100000000, -0.0019278100000000 ] - [ 0.0001897800000000, -0.0004953500000000, -0.0014477800000000 ] - [ 0.0004863300000000, -0.0002678200000000, -0.0014182200000000 ] - [ 0.0002695900000000, -0.0006162700000000, -0.0015079000000000 ] - [ 0.0003273700000000, -0.0005367600000000, -0.0014870100000000 ] - [ -0.0014376800000000, -0.0002342900000000, -0.0000427000000000 ] - [ -0.0014858100000000, 0.0001666100000000, 0.0002361200000000 ] - [ -0.0014237900000000, -0.0001377100000000, -0.0000238900000000 ] - [ -0.0011877000000000, 0.0008756400000000, 0.0005227700000000 ] - [ -0.0014020700000000, -0.0004842000000000, -0.0002283500000000 ] - [ -0.0081530100000000, 0.0047871800000000, -0.0083793200000000 ] - [ -0.0017531300000000, 0.0009713900000000, -0.0009519400000000 ] - [ -0.0010138800000000, 0.0011709200000000, -0.0013381600000000 ] - [ -0.0014264800000000, 0.0005652400000000, -0.0004097300000000 ] - [ -0.0013811200000000, 0.0005919900000000, -0.0004091900000000 ] - [ -0.0014738300000000, 0.0002320300000000, -0.0001926100000000 ] - [ -0.0012104200000000, 0.0001633500000000, -0.0003680800000000 ] - [ -0.0056949500000000, 0.0046080100000000, 0.0026736900000000 ] - [ 0.0004764200000000, -0.0000655800000000, -0.0000794700000000 ] - [ 0.0000038100000000, 0.0004520900000000, 0.0000675500000000 ] - [ 0.0002354200000000, 0.0002717600000000, -0.0001954800000000 ] - [ 0.0003295500000000, 0.0003422600000000, 0.0002506900000000 ] - [ -0.0003780200000000, 0.0004107900000000, 0.0001951900000000 ] - [ 0.0106417400000000, -0.0340522000000000, 0.0925916600000000 ] - [ 0.0004167200000000, -0.0011679500000000, 0.0013632000000000 ] - [ 0.0003449900000000, -0.0001120700000000, 0.0011073300000000 ] - [ 0.0001014600000000, -0.0001801900000000, 0.0004531900000000 ] - [ 0.0003904300000000, 0.0000514700000000, 0.0011217000000000 ] - [ 0.0000415700000000, -0.0001204100000000, 0.0004635800000000 ] - [ 0.0008856600000000, 0.0001116200000000, -0.0010413400000000 ] - [ 0.0003264900000000, -0.0001295900000000, -0.0005733200000000 ] - [ 0.0005047300000000, 0.0001099200000000, -0.0005749500000000 ] - [ 0.0005187400000000, 0.0000874000000000, -0.0005379400000000 ] - [ 0.0007137600000000, 0.0001452600000000, -0.0008900500000000 ] - [ 0.0005505200000000, 0.0000408100000000, -0.0007245400000000 ] - [ 0.0005255700000000, -0.0004386800000000, -0.0002669800000000 ] - [ -0.0003563900000000, -0.0003796000000000, 0.0000677900000000 ] - [ -0.0000920800000000, -0.0003235800000000, 0.0000977400000000 ] - [ -0.0001328500000000, -0.0003168800000000, 0.0001041000000000 ] - [ 0.0011605700000000, -0.0010948200000000, -0.0007247200000000 ] - [ -0.0003085400000000, -0.0004503600000000, 0.0000083800000000 ] - [ -0.0004984800000000, 0.0008121400000000, -0.0010595800000000 ] - [ -0.0004519600000000, 0.0009123800000000, -0.0013175000000000 ] - [ -0.0005146300000000, 0.0008354900000000, -0.0010519600000000 ] - [ -0.0003840900000000, 0.0008404800000000, -0.0010583400000000 ] - [ -0.0005049900000000, 0.0006284300000000, -0.0011246000000000 ] - [ -0.0002706100000000, 0.0005939500000000, -0.0014226200000000 ] - [ -0.0005166700000000, -0.0000558300000000, 0.0001866500000000 ] - [ 0.0000318300000000, -0.0003116100000000, -0.0001300200000000 ] - [ -0.0004202900000000, -0.0000389400000000, 0.0003405500000000 ] - [ -0.0003490300000000, -0.0000423800000000, 0.0003206000000000 ] - [ -0.0001219300000000, -0.0003117000000000, -0.0000613300000000 ] - [ 0.0001636600000000, -0.0004317300000000, -0.0003544700000000 ] - [ -0.0002955900000000, -0.0002035300000000, -0.0001030100000000 ] - [ 0.0029378100000000, 0.0080963300000000, 0.0045563900000000 ] - [ -0.0000138300000000, 0.0001194400000000, -0.0000154000000000 ] - [ 0.0004788800000000, 0.0010142500000000, 0.0008828200000000 ] - [ -0.0002136500000000, -0.0002594000000000, -0.0000645000000000 ] - [ 0.0017060800000000, -0.0009116000000000, 0.0043620500000000 ] - [ -0.0006497900000000, 0.0005016300000000, 0.0001728500000000 ] - [ 0.0111070900000000, 0.0047258700000000, -0.0171204300000000 ] - [ -0.0001433400000000, 0.0005277600000000, -0.0000768700000000 ] - [ 0.0000290200000000, 0.0006105400000000, -0.0000168600000000 ] - [ -0.0002125300000000, 0.0005460000000000, -0.0000947800000000 ] - [ 0.0002075100000000, 0.0006474800000000, 0.0001189600000000 ] - [ -0.0000970200000000, -0.0004846400000000, -0.0010904600000000 ] - [ -0.0002267100000000, -0.0002693500000000, -0.0004062400000000 ] - [ 0.0002395800000000, 0.0005559700000000, 0.0004104900000000 ] - [ 0.0002042700000000, 0.0004822900000000, 0.0003832500000000 ] - [ -0.0001722000000000, -0.0005902300000000, -0.0007580100000000 ] - [ -0.0004208900000000, -0.0006738700000000, -0.0007574000000000 ] - [ -0.0008333200000000, 0.0000175000000000, 0.0007723700000000 ] - [ -0.0003929100000000, 0.0002191100000000, 0.0011408800000000 ] - [ -0.0003227100000000, 0.0001532800000000, 0.0003856500000000 ] - [ -0.0002322500000000, 0.0003472500000000, 0.0003965800000000 ] - [ -0.0004295700000000, -0.0001633500000000, 0.0008822300000000 ] - [ -0.0025515600000000, -0.0019275700000000, 0.0060298900000000 ] - [ -0.0002882500000000, 0.0001389000000000, 0.0008676600000000 ] - [ -0.0002520300000000, 0.0004404800000000, 0.0002329900000000 ] - [ 0.0004177700000000, 0.0006998600000000, 0.0001368600000000 ] - [ -0.0000807800000000, 0.0005128200000000, 0.0001649400000000 ] - [ 0.0027790900000000, 0.0121223300000000, -0.0053687800000000 ] - [ -0.0008254500000000, 0.0001283300000000, 0.0003776700000000 ] - [ -0.0002412900000000, -0.0004983000000000, -0.0002025300000000 ] - [ 0.0002717700000000, -0.0005105300000000, -0.0004729100000000 ] - [ 0.0000493500000000, -0.0003604600000000, -0.0001367600000000 ] - [ 0.0001859100000000, -0.0003065500000000, -0.0002016100000000 ] - [ -0.0002860600000000, -0.0006061800000000, -0.0002418500000000 ] - [ 0.0010403200000000, -0.0000329900000000, -0.0009013800000000 ]- atom: 91 displacement: [ 0.0099998203540672, 0.0000000000000000, -0.0000599406905484 ] forces: - [ 0.0018454900000000, -0.0003592500000000, 0.0000532800000000 ] - [ -0.0037346700000000, -0.0007532000000000, -0.0009553100000000 ] - [ 0.0063689200000000, -0.0020321800000000, -0.0038106100000000 ] - [ -0.0036959200000000, -0.0011940600000000, -0.0006683000000000 ] - [ -0.0010922200000000, -0.0001397900000000, -0.0005634700000000 ] - [ -0.0014733500000000, -0.0005082300000000, -0.0010383300000000 ] - [ -0.0078280900000000, -0.0016687000000000, 0.0007921900000000 ] - [ 0.2435853200000000, -0.0617456700000000, -0.0176272000000000 ] - [ 0.0001026500000000, -0.0001918500000000, 0.0007324700000000 ] - [ 0.0032862400000000, -0.0005375200000000, 0.0012720300000000 ] - [ 0.0006609200000000, -0.0009127600000000, 0.0006303300000000 ] - [ 0.0023427400000000, 0.0011713600000000, 0.0012816100000000 ] - [ 0.0002668000000000, -0.0011228500000000, 0.0004986700000000 ] - [ -0.0026324800000000, 0.0017169300000000, -0.0021830600000000 ] - [ -0.0007913400000000, 0.0036282900000000, 0.0053438700000000 ] - [ -0.0027819900000000, -0.0000524200000000, -0.0021924100000000 ] - [ -0.0010710900000000, 0.0015225100000000, -0.0010347900000000 ] - [ -0.0014358900000000, 0.0011452800000000, -0.0011202400000000 ] - [ 0.0004502600000000, 0.0004881700000000, 0.0007350300000000 ] - [ 0.0022623700000000, -0.0001507200000000, 0.0021711600000000 ] - [ 0.0007678700000000, 0.0008842000000000, 0.0007506800000000 ] - [ 0.0018119100000000, 0.0017693500000000, 0.0019239300000000 ] - [ 0.0009694100000000, 0.0012293100000000, 0.0009326800000000 ] - [ 0.0016491900000000, 0.0008109300000000, 0.0013921300000000 ] - [ -0.0007394400000000, -0.0000896600000000, 0.0013411200000000 ] - [ 0.0002591900000000, -0.0010080500000000, 0.0014415700000000 ] - [ -0.0006899000000000, -0.0005797300000000, 0.0018349700000000 ] - [ -0.0001475900000000, -0.0006106600000000, 0.0014001400000000 ] - [ -0.0002445900000000, -0.0007953600000000, 0.0014545200000000 ] - [ -0.0001763000000000, -0.0008264600000000, 0.0014852100000000 ] - [ 0.0002626100000000, 0.0007426700000000, -0.0015023600000000 ] - [ 0.0000961200000000, 0.0009669700000000, -0.0015458400000000 ] - [ 0.0003461400000000, 0.0005789000000000, -0.0014387600000000 ] - [ 0.0001616200000000, 0.0006679700000000, -0.0015730600000000 ] - [ 0.0002986300000000, 0.0005328900000000, -0.0014549000000000 ] - [ 0.0002220400000000, 0.0006696800000000, -0.0014662900000000 ] - [ 0.0013442700000000, 0.0011557700000000, -0.0012770600000000 ] - [ 0.0019450000000000, -0.0009333400000000, 0.0009449200000000 ] - [ 0.0017200800000000, -0.0003216200000000, -0.0010733500000000 ] - [ 0.0015319500000000, -0.0003407800000000, 0.0003355600000000 ] - [ 0.0013621700000000, -0.0004966900000000, 0.0003469000000000 ] - [ 0.0014405900000000, -0.0004838300000000, 0.0002788200000000 ] - [ -0.0002926900000000, -0.0008334600000000, -0.0000462400000000 ] - [ 0.0003066300000000, 0.0014075000000000, 0.0018614000000000 ] - [ -0.0003387400000000, 0.0003568700000000, 0.0013810900000000 ] - [ -0.0002616400000000, 0.0006671900000000, 0.0014757900000000 ] - [ -0.0000421500000000, 0.0011306900000000, 0.0016001400000000 ] - [ -0.0002185400000000, 0.0004773600000000, 0.0014237500000000 ] - [ 0.0012421200000000, 0.0000509800000000, -0.0000257000000000 ] - [ 0.0014403300000000, 0.0002645900000000, 0.0000953400000000 ] - [ 0.0009708400000000, 0.0008342300000000, 0.0004818700000000 ] - [ 0.0015450900000000, 0.0003687700000000, 0.0001967300000000 ] - [ 0.0013961300000000, 0.0001962300000000, 0.0000383400000000 ] - [ 0.0014109900000000, 0.0003408400000000, 0.0001801100000000 ] - [ 0.0004046500000000, -0.0003642100000000, -0.0013760600000000 ] - [ -0.0001090300000000, -0.0019552200000000, -0.0017957400000000 ] - [ 0.0022442200000000, 0.0004306500000000, -0.0011556400000000 ] - [ 0.0165441600000000, 0.0062705000000000, -0.0010990800000000 ] - [ 0.0002518800000000, -0.0007698800000000, -0.0014999800000000 ] - [ 0.0002128800000000, -0.0008089000000000, -0.0014513600000000 ] - [ -0.0013459200000000, -0.0002703300000000, -0.0000654200000000 ] - [ -0.0014557500000000, -0.0004224800000000, -0.0005331300000000 ] - [ -0.0014211600000000, -0.0003544400000000, -0.0002109100000000 ] - [ -0.0014071800000000, -0.0005895600000000, -0.0004181200000000 ] - [ -0.0013888700000000, -0.0003812000000000, -0.0002441000000000 ] - [ -0.0014106800000000, -0.0004308400000000, -0.0004016400000000 ] - [ -0.0009031100000000, 0.0005260000000000, -0.0004886300000000 ] - [ 0.0052417800000000, -0.0117356400000000, 0.0075624100000000 ] - [ -0.0012247600000000, 0.0000960900000000, -0.0000412200000000 ] - [ -0.0018531600000000, 0.0006311100000000, -0.0002840800000000 ] - [ -0.0013847400000000, 0.0002857600000000, -0.0001824500000000 ] - [ -0.0014373800000000, -0.0000245200000000, 0.0002035500000000 ] - [ 0.0005218900000000, 0.0000194200000000, -0.0005130600000000 ] - [ 0.0004121100000000, 0.0000657200000000, -0.0002350000000000 ] - [ 0.0011483000000000, -0.0003802600000000, -0.0012283400000000 ] - [ 0.0001140500000000, 0.0002669500000000, -0.0001450000000000 ] - [ 0.0004529600000000, 0.0000139200000000, -0.0004411600000000 ] - [ 0.0003771800000000, 0.0000389200000000, -0.0003805500000000 ] - [ -0.0001536500000000, 0.0001593100000000, -0.0002268200000000 ] - [ 0.0004015500000000, -0.0006315200000000, 0.0007920900000000 ] - [ -0.0004685400000000, 0.0006719600000000, -0.0009393300000000 ] - [ 0.0003839200000000, -0.0004518000000000, 0.0007196200000000 ] - [ 0.0002029400000000, -0.0004733100000000, 0.0004530200000000 ] - [ 0.0002508400000000, -0.0003890100000000, 0.0005287800000000 ] - [ -0.0001792000000000, -0.0003196700000000, -0.0001576400000000 ] - [ 0.0011527600000000, 0.0000024800000000, -0.0008046300000000 ] - [ -0.0019151400000000, -0.0025341600000000, 0.0040895400000000 ] - [ 0.0016051300000000, 0.0005045900000000, -0.0010636400000000 ] - [ 0.0002519900000000, -0.0001636900000000, -0.0003458700000000 ] - [ 0.0004423100000000, -0.0000941400000000, -0.0003763000000000 ] - [ -0.2710701900000000, 0.0733290500000000, 0.0363015000000000 ] - [ 0.0026287500000000, -0.0010591700000000, -0.0001450800000000 ] - [ -0.0005541500000000, -0.0004265500000000, 0.0002046000000000 ] - [ 0.0002963600000000, -0.0004708600000000, 0.0001240300000000 ] - [ -0.0005412200000000, -0.0003141600000000, 0.0002304500000000 ] - [ 0.0003046500000000, -0.0005827400000000, 0.0000526400000000 ] - [ 0.0006608100000000, -0.0003403800000000, 0.0004256500000000 ] - [ -0.0018889500000000, 0.0055121100000000, -0.0118989500000000 ] - [ -0.0000023000000000, 0.0000569200000000, -0.0001511300000000 ] - [ -0.0002391400000000, 0.0001419700000000, -0.0003805200000000 ] - [ 0.0001003100000000, 0.0000969800000000, -0.0001210800000000 ] - [ -0.0004359800000000, 0.0002805200000000, -0.0006311900000000 ] - [ 0.0021862500000000, -0.0003667300000000, -0.0001008400000000 ] - [ 0.0084598600000000, -0.0067870100000000, -0.0136135900000000 ] - [ -0.0000303300000000, -0.0003297100000000, 0.0002637600000000 ] - [ -0.0007378500000000, 0.0000762500000000, 0.0005115900000000 ] - [ -0.0004421600000000, -0.0000651700000000, 0.0004225800000000 ] - [ -0.0001551400000000, -0.0002161300000000, 0.0001810300000000 ] - [ 0.0001111400000000, 0.0000198300000000, -0.0000738400000000 ] - [ -0.0005061400000000, -0.0003549700000000, -0.0006839300000000 ] - [ 0.0001254100000000, 0.0000700300000000, -0.0000237900000000 ] - [ -0.0008234900000000, -0.0013643400000000, -0.0015430200000000 ] - [ -0.0001635500000000, -0.0003738500000000, -0.0004096900000000 ] - [ -0.0002753200000000, -0.0004337200000000, -0.0005475100000000 ] - [ 0.0006052200000000, 0.0002967700000000, -0.0001724600000000 ] - [ -0.0010738200000000, 0.0006516500000000, 0.0001814200000000 ] - [ 0.0007979900000000, 0.0001976800000000, -0.0003100500000000 ] - [ -0.0007615100000000, 0.0004289300000000, -0.0006304000000000 ] - [ 0.0001611100000000, 0.0004327300000000, -0.0001720100000000 ] - [ -0.0000531000000000, 0.0004813900000000, -0.0000878900000000 ] - [ -0.0051245800000000, -0.0039633600000000, -0.0034167700000000 ] - [ 0.0014903300000000, 0.0013552900000000, 0.0013889500000000 ] - [ -0.0007842900000000, -0.0003330500000000, 0.0005067600000000 ] - [ 0.0005153500000000, 0.0005027000000000, 0.0006652000000000 ] - [ -0.0001445100000000, -0.0002892400000000, -0.0001070000000000 ] - [ 0.0002488700000000, 0.0002791600000000, 0.0004755100000000 ] - [ -0.0000475200000000, 0.0002062800000000, 0.0002116700000000 ] - [ -0.0005508800000000, 0.0001638400000000, 0.0003336000000000 ] - [ -0.0002510000000000, 0.0000797000000000, 0.0003200300000000 ] - [ -0.0005207400000000, -0.0000518500000000, 0.0003874900000000 ] - [ -0.0002776600000000, 0.0001022800000000, 0.0003452400000000 ] - [ -0.0005031200000000, 0.0000755400000000, 0.0004125700000000 ] - [ -0.0001126400000000, 0.0005969100000000, -0.0000054500000000 ] - [ 0.0001318100000000, 0.0005485300000000, 0.0001594800000000 ] - [ -0.0001790400000000, 0.0003259300000000, 0.0000084100000000 ] - [ 0.0000438900000000, 0.0004784400000000, 0.0001438000000000 ] - [ -0.0000595900000000, 0.0004112100000000, 0.0000842700000000 ] - [ -0.0000489400000000, 0.0003482700000000, 0.0001628400000000 ] - [ 0.0005706900000000, -0.0001941600000000, -0.0000764600000000 ] - [ -0.0011094900000000, -0.0009253900000000, -0.0003964800000000 ] - [ 0.0005570000000000, -0.0003777200000000, -0.0000350500000000 ] - [ -0.0011146600000000, -0.0003754300000000, -0.0002190000000000 ] - [ 0.0000481700000000, -0.0005261300000000, -0.0001148800000000 ] - [ -0.0000041700000000, -0.0005512600000000, -0.0001921900000000 ]- atom: 91 displacement: [ -0.0099998203540672, 0.0000000000000000, 0.0000599406905484 ] forces: - [ -0.0043836000000000, -0.0013909000000000, -0.0020111100000000 ] - [ 0.0011707900000000, -0.0009345800000000, -0.0009512300000000 ] - [ -0.0089158700000000, 0.0003405800000000, 0.0018361500000000 ] - [ 0.0011475000000000, -0.0005493200000000, -0.0012133600000000 ] - [ -0.0014581600000000, -0.0015728400000000, -0.0013878000000000 ] - [ -0.0010543000000000, -0.0012316000000000, -0.0008950300000000 ] - [ 0.0103608700000000, -0.0000601700000000, 0.0011457900000000 ] - [ -0.2284055900000000, 0.0555428700000000, 0.0171958000000000 ] - [ 0.0024333500000000, -0.0015326000000000, 0.0012021200000000 ] - [ -0.0007235000000000, -0.0011605400000000, 0.0006726700000000 ] - [ 0.0018672100000000, -0.0008124300000000, 0.0012702700000000 ] - [ 0.0002052400000000, -0.0028845100000000, 0.0006501600000000 ] - [ -0.0027918700000000, 0.0028380600000000, -0.0023923900000000 ] - [ 0.0000914500000000, 0.0000162100000000, 0.0002722600000000 ] - [ -0.0018153900000000, -0.0018907600000000, -0.0072232200000000 ] - [ 0.0002390300000000, 0.0017551000000000, 0.0002516200000000 ] - [ -0.0014650400000000, 0.0002228200000000, -0.0009097500000000 ] - [ -0.0011131100000000, 0.0005887500000000, -0.0008375600000000 ] - [ 0.0020849500000000, 0.0012399300000000, 0.0011796300000000 ] - [ 0.0002843100000000, 0.0018770800000000, -0.0002372400000000 ] - [ 0.0017701800000000, 0.0008334500000000, 0.0011595400000000 ] - [ 0.0007317500000000, -0.0000348500000000, -0.0000154600000000 ] - [ 0.0015723500000000, 0.0004899100000000, 0.0009895000000000 ] - [ 0.0009002800000000, 0.0009098600000000, 0.0005391200000000 ] - [ 0.0002265900000000, -0.0011618200000000, 0.0015953400000000 ] - [ -0.0007431800000000, -0.0002823300000000, 0.0015007800000000 ] - [ 0.0002026800000000, -0.0007640400000000, 0.0011362500000000 ] - [ -0.0003044000000000, -0.0007264000000000, 0.0015742100000000 ] - [ -0.0002691800000000, -0.0005474500000000, 0.0014635800000000 ] - [ -0.0002976900000000, -0.0005716900000000, 0.0014521700000000 ] - [ 0.0002341700000000, 0.0006212700000000, -0.0014350500000000 ] - [ 0.0004060800000000, 0.0003780000000000, -0.0013904600000000 ] - [ 0.0001094500000000, 0.0007903500000000, -0.0015139900000000 ] - [ 0.0003241300000000, 0.0006674200000000, -0.0013771700000000 ] - [ 0.0002046600000000, 0.0007243000000000, -0.0014727300000000 ] - [ 0.0002753700000000, 0.0006459700000000, -0.0014821600000000 ] - [ 0.0014756500000000, -0.0018280000000000, 0.0016446300000000 ] - [ 0.0009080700000000, 0.0002294500000000, -0.0005197600000000 ] - [ 0.0010583700000000, -0.0002760200000000, 0.0014327900000000 ] - [ 0.0012775600000000, -0.0002693100000000, 0.0000503800000000 ] - [ 0.0014324800000000, -0.0002650100000000, 0.0000620200000000 ] - [ 0.0013638700000000, -0.0002769600000000, 0.0001293300000000 ] - [ -0.0002156300000000, 0.0021356900000000, 0.0029615800000000 ] - [ -0.0008073200000000, -0.0001043400000000, 0.0010553100000000 ] - [ -0.0001991400000000, 0.0009515300000000, 0.0015327700000000 ] - [ -0.0002424400000000, 0.0006642300000000, 0.0014526800000000 ] - [ -0.0004513900000000, 0.0001383400000000, 0.0013524900000000 ] - [ -0.0002692300000000, 0.0007993500000000, 0.0015425500000000 ] - [ 0.0015597600000000, 0.0005626300000000, 0.0004204600000000 ] - [ 0.0013472300000000, 0.0003817700000000, 0.0003345600000000 ] - [ 0.0018683500000000, -0.0001052300000000, -0.0000223200000000 ] - [ 0.0012919400000000, 0.0003619100000000, 0.0002519600000000 ] - [ 0.0013928100000000, 0.0005485700000000, 0.0003471800000000 ] - [ 0.0014079300000000, 0.0004221100000000, 0.0002518100000000 ] - [ 0.0000777600000000, -0.0009421000000000, -0.0015756700000000 ] - [ 0.0006044500000000, 0.0006407100000000, -0.0011517500000000 ] - [ -0.0017491700000000, -0.0017295200000000, -0.0017975800000000 ] - [ -0.0156241000000000, -0.0073575400000000, -0.0018240800000000 ] - [ 0.0002420300000000, -0.0005348700000000, -0.0014252800000000 ] - [ 0.0003199800000000, -0.0004634200000000, -0.0014497800000000 ] - [ -0.0014689300000000, -0.0004734400000000, -0.0003417500000000 ] - [ -0.0013449900000000, -0.0003407400000000, 0.0001061000000000 ] - [ -0.0014265600000000, -0.0003429200000000, -0.0001993500000000 ] - [ -0.0014130000000000, -0.0001150900000000, -0.0000138900000000 ] - [ -0.0014099900000000, -0.0002774500000000, -0.0001692300000000 ] - [ -0.0013794000000000, -0.0002421100000000, -0.0000613900000000 ] - [ -0.0018980400000000, 0.0002541500000000, 0.0000575100000000 ] - [ -0.0080352200000000, 0.0122696600000000, -0.0078030700000000 ] - [ -0.0015692800000000, 0.0005396600000000, -0.0003947600000000 ] - [ -0.0009408300000000, -0.0000178000000000, -0.0001070800000000 ] - [ -0.0014505100000000, 0.0003628400000000, -0.0001988900000000 ] - [ -0.0013824200000000, 0.0006711600000000, -0.0005464400000000 ] - [ 0.0002696900000000, 0.0000720900000000, -0.0002329100000000 ] - [ 0.0003559000000000, 0.0000170800000000, -0.0004914500000000 ] - [ -0.0003769500000000, 0.0006140800000000, 0.0004555500000000 ] - [ 0.0006570900000000, -0.0000281400000000, -0.0005994100000000 ] - [ 0.0003153300000000, 0.0001094900000000, -0.0003240500000000 ] - [ 0.0004043300000000, 0.0000787200000000, -0.0003984300000000 ] - [ 0.0005369900000000, -0.0008412800000000, 0.0010727100000000 ] - [ -0.0000519500000000, -0.0000557200000000, 0.0000519700000000 ] - [ 0.0008140000000000, -0.0012461800000000, 0.0017278600000000 ] - [ -0.0000519900000000, -0.0001022800000000, 0.0000739100000000 ] - [ 0.0001646500000000, -0.0001194200000000, 0.0003819100000000 ] - [ 0.0001028400000000, -0.0002055200000000, 0.0003146000000000 ] - [ 0.0009392400000000, 0.0001225500000000, -0.0006046500000000 ] - [ -0.0003543500000000, -0.0001979800000000, 0.0000193400000000 ] - [ 0.0026644300000000, 0.0024534900000000, -0.0048358500000000 ] - [ -0.0007970900000000, -0.0005778700000000, 0.0003078300000000 ] - [ 0.0004828900000000, 0.0000113000000000, -0.0004173900000000 ] - [ 0.0003533100000000, -0.0000674200000000, -0.0003761900000000 ] - [ 0.2579113900000000, -0.0697614800000000, -0.0335730100000000 ] - [ -0.0026788600000000, 0.0001066100000000, 0.0003621800000000 ] - [ 0.0004322900000000, -0.0003845800000000, 0.0000867200000000 ] - [ -0.0003728000000000, -0.0003320800000000, 0.0001546800000000 ] - [ 0.0004570500000000, -0.0005833700000000, -0.0000186700000000 ] - [ -0.0003651200000000, -0.0003270000000000, 0.0001450700000000 ] - [ -0.0010259500000000, 0.0009864700000000, -0.0012657500000000 ] - [ 0.0014411500000000, -0.0048720700000000, 0.0110375400000000 ] - [ -0.0003329300000000, 0.0004964600000000, -0.0006331200000000 ] - [ -0.0000987800000000, 0.0004220300000000, -0.0004043900000000 ] - [ -0.0004765600000000, 0.0005592800000000, -0.0007153100000000 ] - [ 0.0000686100000000, 0.0003736800000000, -0.0002169300000000 ] - [ -0.0029912200000000, 0.0002661200000000, 0.0008554900000000 ] - [ -0.0089890400000000, 0.0065362300000000, 0.0140188800000000 ] - [ -0.0007716100000000, 0.0000980200000000, 0.0005071500000000 ] - [ -0.0000109400000000, -0.0003042700000000, 0.0002565900000000 ] - [ -0.0003502500000000, -0.0000619300000000, 0.0003273100000000 ] - [ -0.0006132500000000, 0.0001090600000000, 0.0005718100000000 ] - [ -0.0004718000000000, -0.0006074000000000, -0.0007543000000000 ] - [ 0.0001448100000000, -0.0002431700000000, -0.0001261500000000 ] - [ -0.0004818900000000, -0.0006726700000000, -0.0007964900000000 ] - [ 0.0004529400000000, 0.0007325200000000, 0.0007107500000000 ] - [ -0.0001783200000000, -0.0002353300000000, -0.0003690100000000 ] - [ -0.0000482300000000, -0.0001417700000000, -0.0002159100000000 ] - [ -0.0005124600000000, 0.0005663900000000, -0.0000334800000000 ] - [ 0.0011345200000000, 0.0002077200000000, -0.0003511900000000 ] - [ -0.0006802900000000, 0.0006155600000000, -0.0000034500000000 ] - [ 0.0008889100000000, 0.0003595100000000, 0.0003163800000000 ] - [ -0.0000930700000000, 0.0005445500000000, -0.0000972200000000 ] - [ 0.0001429700000000, 0.0005104200000000, -0.0001593000000000 ] - [ 0.0053551200000000, 0.0046563800000000, 0.0042556900000000 ] - [ -0.0011487100000000, -0.0007527000000000, -0.0006353500000000 ] - [ 0.0011202000000000, 0.0009356500000000, 0.0003291500000000 ] - [ -0.0001358300000000, 0.0001320700000000, 0.0001569700000000 ] - [ 0.0004932000000000, 0.0008690600000000, 0.0009422400000000 ] - [ 0.0001219200000000, 0.0002672900000000, 0.0003551100000000 ] - [ -0.0007067900000000, -0.0000538900000000, 0.0005431900000000 ] - [ -0.0002175000000000, -0.0000226900000000, 0.0004444500000000 ] - [ -0.0005311300000000, 0.0000302200000000, 0.0004298100000000 ] - [ -0.0002353800000000, 0.0001725400000000, 0.0003728600000000 ] - [ -0.0004844700000000, 0.0000759200000000, 0.0004153800000000 ] - [ -0.0002749700000000, 0.0001091300000000, 0.0003694500000000 ] - [ 0.0000370300000000, 0.0003962100000000, 0.0002660500000000 ] - [ -0.0002477000000000, 0.0004433500000000, 0.0001105600000000 ] - [ 0.0000959000000000, 0.0005670900000000, 0.0002027200000000 ] - [ -0.0001210200000000, 0.0004218500000000, 0.0000903100000000 ] - [ -0.0000206700000000, 0.0003797000000000, 0.0001891100000000 ] - [ -0.0000702500000000, 0.0004122800000000, 0.0001161900000000 ] - [ -0.0004865200000000, -0.0005800700000000, -0.0001788400000000 ] - [ 0.0012103500000000, 0.0001388500000000, 0.0001109700000000 ] - [ -0.0004918700000000, -0.0004907700000000, -0.0001438400000000 ] - [ 0.0012022800000000, -0.0005250900000000, 0.0000242300000000 ] - [ 0.0000349700000000, -0.0004903800000000, -0.0001414100000000 ] - [ 0.0000900700000000, -0.0004374900000000, -0.0000924600000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0028197700000000, -0.0035131100000000, -0.0055135700000000 ] - [ -0.0006912300000000, -0.0007182300000000, -0.0010246100000000 ] - [ -0.0029437000000000, -0.0020315000000000, 0.0021855400000000 ] - [ -0.0007716200000000, -0.0005637800000000, -0.0010205400000000 ] - [ -0.0012908200000000, -0.0019494500000000, -0.0011122400000000 ] - [ -0.0012204400000000, -0.0013067800000000, -0.0009722500000000 ] - [ 0.0030370400000000, 0.0003006100000000, 0.0013159400000000 ] - [ -0.0641404900000000, 0.0486440100000000, 0.0056934700000000 ] - [ 0.0018581500000000, -0.0013048400000000, 0.0010339000000000 ] - [ 0.0000537900000000, -0.0023975500000000, 0.0006959800000000 ] - [ 0.0012298500000000, -0.0011786100000000, 0.0010558400000000 ] - [ 0.0013434100000000, -0.0025555400000000, 0.0014089700000000 ] - [ -0.0017178900000000, 0.0012451200000000, -0.0005709900000000 ] - [ -0.0008819200000000, 0.0007193000000000, -0.0005458100000000 ] - [ -0.0005888300000000, 0.0003424000000000, -0.0042733700000000 ] - [ -0.0009537100000000, 0.0012625700000000, -0.0006857100000000 ] - [ -0.0013220800000000, 0.0001828800000000, -0.0009862300000000 ] - [ -0.0012584600000000, 0.0004995000000000, -0.0009638700000000 ] - [ 0.0014665000000000, 0.0013882100000000, 0.0009684700000000 ] - [ 0.0010281000000000, 0.0019568100000000, 0.0006037100000000 ] - [ 0.0015374000000000, 0.0006821100000000, 0.0010870300000000 ] - [ 0.0009760300000000, 0.0002309300000000, 0.0006207300000000 ] - [ 0.0012476100000000, 0.0005325400000000, 0.0008854500000000 ] - [ 0.0013431800000000, 0.0005040800000000, 0.0007508200000000 ] - [ 0.0000560100000000, -0.0010104900000000, 0.0019158100000000 ] - [ -0.0003259100000000, -0.0006476600000000, 0.0014926300000000 ] - [ -0.0002323600000000, -0.0003610400000000, 0.0012664200000000 ] - [ -0.0002079300000000, -0.0007277700000000, 0.0015120600000000 ] - [ -0.0003264400000000, -0.0004031200000000, 0.0014310500000000 ] - [ -0.0002848200000000, -0.0005827900000000, 0.0014532900000000 ] - [ 0.0003312800000000, 0.0005233400000000, -0.0014017200000000 ] - [ 0.0003477200000000, 0.0004183700000000, -0.0014092400000000 ] - [ 0.0001289800000000, 0.0007797200000000, -0.0015186800000000 ] - [ 0.0002700800000000, 0.0007097200000000, -0.0014462700000000 ] - [ 0.0002162600000000, 0.0007353100000000, -0.0014865500000000 ] - [ 0.0002109900000000, 0.0007777700000000, -0.0014986300000000 ] - [ 0.0015692200000000, -0.0002171100000000, -0.0001113700000000 ] - [ 0.0012770300000000, -0.0002052700000000, 0.0000197500000000 ] - [ 0.0010963300000000, -0.0003279100000000, 0.0012664000000000 ] - [ 0.0013748600000000, -0.0003417500000000, 0.0001818800000000 ] - [ 0.0014052600000000, -0.0002590300000000, 0.0001046900000000 ] - [ 0.0013883800000000, -0.0003080900000000, 0.0001571800000000 ] - [ -0.0004061500000000, 0.0008001500000000, 0.0017992300000000 ] - [ -0.0003985800000000, 0.0003956200000000, 0.0013502100000000 ] - [ -0.0002015700000000, 0.0008952400000000, 0.0015154900000000 ] - [ -0.0001985100000000, 0.0007649400000000, 0.0014902600000000 ] - [ -0.0002257900000000, 0.0006205500000000, 0.0014857200000000 ] - [ -0.0002655300000000, 0.0006757200000000, 0.0014954800000000 ] - [ 0.0012708600000000, 0.0010907900000000, 0.0008706900000000 ] - [ 0.0013843400000000, 0.0003446600000000, 0.0002591900000000 ] - [ 0.0014527500000000, 0.0000650100000000, -0.0002003500000000 ] - [ 0.0013902900000000, 0.0003182100000000, 0.0002022500000000 ] - [ 0.0013986200000000, 0.0005894300000000, 0.0003418900000000 ] - [ 0.0014108100000000, 0.0004576800000000, 0.0002691000000000 ] - [ 0.0002893700000000, -0.0006189700000000, -0.0014863000000000 ] - [ 0.0003484600000000, -0.0002405200000000, -0.0014558400000000 ] - [ -0.0004933600000000, -0.0012663800000000, -0.0016491900000000 ] - [ 0.0096922700000000, -0.0102890700000000, -0.0033446900000000 ] - [ 0.0002460500000000, -0.0005545400000000, -0.0014354100000000 ] - [ 0.0003943700000000, -0.0002943800000000, -0.0014097300000000 ] - [ -0.0014424700000000, -0.0004889900000000, -0.0003135500000000 ] - [ -0.0013657800000000, -0.0005154000000000, -0.0002391300000000 ] - [ -0.0014302300000000, -0.0003258000000000, -0.0001998300000000 ] - [ -0.0013981000000000, -0.0002156000000000, -0.0001271500000000 ] - [ -0.0013759900000000, -0.0002614500000000, -0.0001393100000000 ] - [ -0.0014256200000000, -0.0002430800000000, -0.0001118500000000 ] - [ -0.0014756100000000, 0.0002727000000000, -0.0000937400000000 ] - [ -0.0139967300000000, 0.0039647700000000, -0.0019504500000000 ] - [ -0.0014724400000000, 0.0004191000000000, -0.0003030800000000 ] - [ -0.0011684000000000, 0.0002427000000000, -0.0002249500000000 ] - [ -0.0014277200000000, 0.0004172400000000, -0.0002593800000000 ] - [ -0.0014075300000000, 0.0006522700000000, -0.0004508900000000 ] - [ 0.0004684600000000, -0.0000412800000000, -0.0004579800000000 ] - [ 0.0003881200000000, 0.0000144100000000, -0.0004205300000000 ] - [ 0.0000097500000000, 0.0003350900000000, 0.0000390500000000 ] - [ 0.0005016700000000, 0.0000533600000000, -0.0004482000000000 ] - [ 0.0003240500000000, 0.0001248800000000, -0.0003357800000000 ] - [ 0.0003732400000000, 0.0000962700000000, -0.0003752000000000 ] - [ 0.0001808100000000, -0.0003150100000000, 0.0003734200000000 ] - [ 0.0001120700000000, -0.0002505000000000, 0.0003055100000000 ] - [ 0.0004685300000000, -0.0008501600000000, 0.0011104300000000 ] - [ 0.0001524200000000, -0.0003378700000000, 0.0003912600000000 ] - [ 0.0001355600000000, -0.0001092200000000, 0.0003206900000000 ] - [ 0.0001168200000000, -0.0001837200000000, 0.0003238200000000 ] - [ 0.0006954700000000, 0.0001874600000000, -0.0002995200000000 ] - [ 0.0001094600000000, -0.0001560000000000, -0.0002439400000000 ] - [ 0.0004363600000000, 0.0011558100000000, -0.0032758900000000 ] - [ 0.0001555500000000, -0.0001726400000000, -0.0002040200000000 ] - [ 0.0004506500000000, 0.0000391200000000, -0.0004479300000000 ] - [ 0.0004146600000000, -0.0000324000000000, -0.0004005600000000 ] - [ 0.0710943600000000, -0.0541113100000000, -0.0079773400000000 ] - [ -0.0006164000000000, -0.0003748400000000, 0.0001881500000000 ] - [ 0.0000746300000000, -0.0002891300000000, 0.0001751400000000 ] - [ -0.0001761800000000, -0.0003541100000000, 0.0001409200000000 ] - [ -0.0000710600000000, -0.0003101200000000, 0.0000487100000000 ] - [ -0.0001053300000000, -0.0004082000000000, 0.0001200900000000 ] - [ -0.0003155000000000, 0.0003143400000000, -0.0005058300000000 ] - [ 0.0032522600000000, -0.0021880400000000, -0.0040722700000000 ] - [ -0.0002699600000000, 0.0004457700000000, -0.0005404100000000 ] - [ -0.0002444500000000, 0.0006835300000000, -0.0006245900000000 ] - [ -0.0002353600000000, 0.0003892800000000, -0.0004828700000000 ] - [ -0.0003632400000000, 0.0011894900000000, -0.0005984800000000 ] - [ -0.0002189000000000, -0.0001420500000000, 0.0003790300000000 ] - [ -0.0021118700000000, 0.0012653900000000, 0.0031392200000000 ] - [ -0.0006556700000000, 0.0000277300000000, 0.0004904500000000 ] - [ -0.0001781600000000, -0.0000975000000000, 0.0003645700000000 ] - [ -0.0003556300000000, -0.0000335600000000, 0.0003620300000000 ] - [ -0.0005382100000000, 0.0000996600000000, 0.0004670000000000 ] - [ -0.0002854900000000, -0.0004524600000000, -0.0005533300000000 ] - [ -0.0002098000000000, -0.0005547600000000, -0.0005447700000000 ] - [ -0.0002819000000000, -0.0004199200000000, -0.0005317400000000 ] - [ 0.0000804400000000, 0.0001615700000000, 0.0001036500000000 ] - [ -0.0001309600000000, -0.0001893800000000, -0.0003070500000000 ] - [ -0.0000776300000000, -0.0000931700000000, -0.0002216400000000 ] - [ -0.0000894300000000, 0.0004577200000000, -0.0000958800000000 ] - [ 0.0002525400000000, 0.0003954500000000, -0.0002009700000000 ] - [ -0.0001385500000000, 0.0004345700000000, -0.0001149600000000 ] - [ 0.0000958000000000, 0.0006254700000000, 0.0006126100000000 ] - [ -0.0000237300000000, 0.0005323300000000, -0.0001227600000000 ] - [ 0.0000274900000000, 0.0005469800000000, -0.0001220200000000 ] - [ -0.0024674300000000, 0.0121149700000000, 0.0118051800000000 ] - [ -0.0001382400000000, -0.0000387300000000, 0.0000728000000000 ] - [ 0.0008412900000000, 0.0014328500000000, 0.0001611300000000 ] - [ 0.0000891000000000, 0.0002548300000000, 0.0003366000000000 ] - [ 0.0003530600000000, 0.0007484400000000, 0.0007163300000000 ] - [ 0.0002280900000000, 0.0004011400000000, 0.0004969200000000 ] - [ -0.0005291700000000, -0.0000198400000000, 0.0004712000000000 ] - [ -0.0003496200000000, -0.0000296300000000, 0.0004580600000000 ] - [ -0.0004312900000000, 0.0000676900000000, 0.0003813300000000 ] - [ -0.0002865100000000, 0.0001384100000000, 0.0003526500000000 ] - [ -0.0003658300000000, 0.0001150900000000, 0.0003749200000000 ] - [ -0.0003684100000000, 0.0001119400000000, 0.0003920400000000 ] - [ -0.0001478500000000, 0.0003524600000000, 0.0002274300000000 ] - [ -0.0001224800000000, 0.0004532600000000, 0.0001319600000000 ] - [ 0.0000747100000000, 0.0005327300000000, 0.0001193400000000 ] - [ -0.0000810400000000, 0.0004395800000000, 0.0001088300000000 ] - [ -0.0000553100000000, 0.0004247600000000, 0.0001650400000000 ] - [ -0.0000298500000000, 0.0004099000000000, 0.0001390700000000 ] - [ -0.0000120300000000, -0.0004240200000000, -0.0001577400000000 ] - [ -0.0000066000000000, -0.0001929800000000, 0.0006873400000000 ] - [ -0.0001591600000000, -0.0004750900000000, -0.0000930400000000 ] - [ 0.0005864900000000, -0.0002570900000000, -0.0002503600000000 ] - [ 0.0000737400000000, -0.0004627200000000, -0.0001379800000000 ] - [ 0.0001094700000000, -0.0004027300000000, -0.0001383800000000 ]- atom: 91 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002717100000000, 0.0018017200000000, 0.0036170100000000 ] - [ -0.0018401600000000, -0.0009934000000000, -0.0008844200000000 ] - [ 0.0003593300000000, 0.0003241900000000, -0.0040570000000000 ] - [ -0.0017624500000000, -0.0011488100000000, -0.0008669500000000 ] - [ -0.0012546800000000, 0.0002077200000000, -0.0008385500000000 ] - [ -0.0013088500000000, -0.0004483400000000, -0.0009568200000000 ] - [ -0.0004667500000000, -0.0020064400000000, 0.0006138900000000 ] - [ 0.0671121900000000, -0.0498884200000000, -0.0039228900000000 ] - [ 0.0006956300000000, -0.0004314400000000, 0.0009079000000000 ] - [ 0.0024658600000000, 0.0006293700000000, 0.0012597900000000 ] - [ 0.0013087900000000, -0.0005757800000000, 0.0008516300000000 ] - [ 0.0011875900000000, 0.0008086800000000, 0.0005020800000000 ] - [ -0.0008263100000000, 0.0004728800000000, -0.0013158500000000 ] - [ -0.0016494100000000, 0.0009911800000000, -0.0013267900000000 ] - [ -0.0019455100000000, 0.0013843500000000, 0.0022895400000000 ] - [ -0.0015900900000000, 0.0004708200000000, -0.0012452700000000 ] - [ -0.0012202600000000, 0.0015439600000000, -0.0009662100000000 ] - [ -0.0012988000000000, 0.0012300500000000, -0.0010025600000000 ] - [ 0.0010832400000000, 0.0003601500000000, 0.0009493800000000 ] - [ 0.0015029900000000, -0.0001966300000000, 0.0013169600000000 ] - [ 0.0010059200000000, 0.0010515700000000, 0.0008228000000000 ] - [ 0.0015585500000000, 0.0014959800000000, 0.0012717200000000 ] - [ 0.0013041400000000, 0.0011773400000000, 0.0010300400000000 ] - [ 0.0012017600000000, 0.0012186100000000, 0.0011797800000000 ] - [ -0.0005795200000000, -0.0002310000000000, 0.0010045000000000 ] - [ -0.0001787400000000, -0.0006171600000000, 0.0014403800000000 ] - [ -0.0002630100000000, -0.0009676600000000, 0.0016927900000000 ] - [ -0.0002522000000000, -0.0006032400000000, 0.0014553900000000 ] - [ -0.0001968300000000, -0.0009227600000000, 0.0014838300000000 ] - [ -0.0001987600000000, -0.0007940900000000, 0.0014790200000000 ] - [ 0.0001701900000000, 0.0008284400000000, -0.0015334200000000 ] - [ 0.0001691500000000, 0.0009074700000000, -0.0015193200000000 ] - [ 0.0003351300000000, 0.0005664600000000, -0.0014272800000000 ] - [ 0.0002298900000000, 0.0006052000000000, -0.0014966900000000 ] - [ 0.0002945900000000, 0.0005130500000000, -0.0014353500000000 ] - [ 0.0003002400000000, 0.0005172600000000, -0.0014402300000000 ] - [ 0.0012492500000000, -0.0004595100000000, 0.0004753300000000 ] - [ 0.0015692300000000, -0.0004809100000000, 0.0003775500000000 ] - [ 0.0016743400000000, -0.0002606000000000, -0.0008957100000000 ] - [ 0.0014323800000000, -0.0002671800000000, 0.0001903700000000 ] - [ 0.0013913200000000, -0.0004907200000000, 0.0002846500000000 ] - [ 0.0014154600000000, -0.0004393300000000, 0.0002272000000000 ] - [ -0.0001211800000000, 0.0004720500000000, 0.0011076100000000 ] - [ -0.0001111600000000, 0.0008821500000000, 0.0015601000000000 ] - [ -0.0003396500000000, 0.0004124100000000, 0.0013957300000000 ] - [ -0.0003161300000000, 0.0005506700000000, 0.0014309800000000 ] - [ -0.0002766700000000, 0.0006412800000000, 0.0014612100000000 ] - [ -0.0002226000000000, 0.0006039900000000, 0.0014660700000000 ] - [ 0.0015370500000000, -0.0004940700000000, -0.0005022800000000 ] - [ 0.0014034700000000, 0.0002936600000000, 0.0001506800000000 ] - [ 0.0013897400000000, 0.0006425300000000, 0.0006311600000000 ] - [ 0.0014454100000000, 0.0003925500000000, 0.0002223000000000 ] - [ 0.0013912600000000, 0.0001442100000000, 0.0000190900000000 ] - [ 0.0014073800000000, 0.0002957300000000, 0.0001421700000000 ] - [ 0.0001977900000000, -0.0006750200000000, -0.0014603900000000 ] - [ 0.0001639400000000, -0.0010384400000000, -0.0014786700000000 ] - [ 0.0009930500000000, -0.0000420800000000, -0.0012978600000000 ] - [ -0.0091743000000000, 0.0089904600000000, 0.0004309700000000 ] - [ 0.0002579400000000, -0.0007293000000000, -0.0014837100000000 ] - [ 0.0001525500000000, -0.0009495100000000, -0.0014824900000000 ] - [ -0.0013744700000000, -0.0002550000000000, -0.0000810000000000 ] - [ -0.0014302700000000, -0.0002416400000000, -0.0001624800000000 ] - [ -0.0014189500000000, -0.0003608100000000, -0.0001893200000000 ] - [ -0.0014207400000000, -0.0004681900000000, -0.0002734800000000 ] - [ -0.0014231100000000, -0.0003834400000000, -0.0002570700000000 ] - [ -0.0013644800000000, -0.0004155700000000, -0.0003307300000000 ] - [ -0.0013286100000000, 0.0004933300000000, -0.0003175800000000 ] - [ 0.0113822100000000, -0.0031748400000000, 0.0015553800000000 ] - [ -0.0013252500000000, 0.0002073500000000, -0.0001128900000000 ] - [ -0.0016154900000000, 0.0003706700000000, -0.0001520600000000 ] - [ -0.0014088200000000, 0.0002290600000000, -0.0001053000000000 ] - [ -0.0014125500000000, -0.0000099600000000, 0.0001230100000000 ] - [ 0.0003200800000000, 0.0001295600000000, -0.0002957000000000 ] - [ 0.0003839900000000, 0.0000680200000000, -0.0003155000000000 ] - [ 0.0007483500000000, -0.0001032300000000, -0.0008058700000000 ] - [ 0.0002698300000000, 0.0001781500000000, -0.0003032600000000 ] - [ 0.0004393400000000, 0.0000008700000000, -0.0004358300000000 ] - [ 0.0004083200000000, 0.0000196400000000, -0.0004128400000000 ] - [ 0.0001999200000000, -0.0003554600000000, 0.0004654400000000 ] - [ 0.0002367800000000, -0.0004168300000000, 0.0005219200000000 ] - [ -0.0001206600000000, 0.0002605300000000, -0.0003091100000000 ] - [ 0.0001763400000000, -0.0002260100000000, 0.0003959800000000 ] - [ 0.0002301600000000, -0.0004758500000000, 0.0005070300000000 ] - [ 0.0002350900000000, -0.0004050600000000, 0.0005131400000000 ] - [ 0.0000587000000000, -0.0003846800000000, -0.0004700800000000 ] - [ 0.0006734800000000, -0.0000388400000000, -0.0005367000000000 ] - [ 0.0003038800000000, -0.0012354700000000, 0.0024841600000000 ] - [ 0.0006341100000000, 0.0000866100000000, -0.0005501300000000 ] - [ 0.0002763300000000, -0.0001863900000000, -0.0003180600000000 ] - [ 0.0003765400000000, -0.0001247200000000, -0.0003539400000000 ] - [ -0.0718067600000000, 0.0529322900000000, 0.0083743400000000 ] - [ 0.0005540900000000, -0.0005788800000000, 0.0000372900000000 ] - [ -0.0001883300000000, -0.0005142900000000, 0.0001276600000000 ] - [ 0.0000999200000000, -0.0004450600000000, 0.0001443000000000 ] - [ -0.0000028200000000, -0.0005817400000000, 0.0001712800000000 ] - [ 0.0000434100000000, -0.0004967500000000, 0.0000855700000000 ] - [ -0.0000519900000000, 0.0003121100000000, -0.0003274600000000 ] - [ -0.0036306500000000, 0.0027384400000000, 0.0033025700000000 ] - [ -0.0000664200000000, 0.0001118300000000, -0.0002405000000000 ] - [ -0.0000905200000000, -0.0001099700000000, -0.0001615200000000 ] - [ -0.0001432100000000, 0.0002680800000000, -0.0003506400000000 ] - [ 0.0000052600000000, -0.0005500900000000, -0.0002365800000000 ] - [ -0.0005780500000000, 0.0000454100000000, 0.0003917200000000 ] - [ 0.0013267500000000, -0.0013425800000000, -0.0023208400000000 ] - [ -0.0001499600000000, -0.0002542400000000, 0.0002876000000000 ] - [ -0.0005562400000000, -0.0001323700000000, 0.0004103100000000 ] - [ -0.0004365700000000, -0.0000871600000000, 0.0003977900000000 ] - [ -0.0002252400000000, -0.0002016400000000, 0.0002972600000000 ] - [ -0.0000833300000000, -0.0001466500000000, -0.0002801100000000 ] - [ -0.0001515100000000, -0.0000532100000000, -0.0002721600000000 ] - [ -0.0000822700000000, -0.0001959300000000, -0.0002932500000000 ] - [ -0.0004431200000000, -0.0007868000000000, -0.0009228700000000 ] - [ -0.0002090600000000, -0.0004092800000000, -0.0004713200000000 ] - [ -0.0002480600000000, -0.0004800100000000, -0.0005430700000000 ] - [ 0.0001692500000000, 0.0004092500000000, -0.0001136600000000 ] - [ -0.0001908800000000, 0.0004655900000000, 0.0000207400000000 ] - [ 0.0002497000000000, 0.0003691900000000, -0.0002039100000000 ] - [ 0.0000025900000000, 0.0001753400000000, -0.0008923600000000 ] - [ 0.0000835800000000, 0.0004491600000000, -0.0001522900000000 ] - [ 0.0000571300000000, 0.0004464700000000, -0.0001334800000000 ] - [ 0.0028803200000000, -0.0117200300000000, -0.0112455000000000 ] - [ 0.0004738300000000, 0.0006385100000000, 0.0006883400000000 ] - [ -0.0004796300000000, -0.0007857000000000, 0.0006536500000000 ] - [ 0.0002828100000000, 0.0003748400000000, 0.0004806800000000 ] - [ 0.0000010500000000, -0.0001570000000000, 0.0001269200000000 ] - [ 0.0001423500000000, 0.0001572100000000, 0.0003367300000000 ] - [ -0.0002275900000000, 0.0001601400000000, 0.0002903300000000 ] - [ -0.0004064600000000, 0.0001626900000000, 0.0003290500000000 ] - [ -0.0003473400000000, 0.0000413500000000, 0.0003755600000000 ] - [ -0.0004600100000000, -0.0000184000000000, 0.0004112600000000 ] - [ -0.0003926800000000, 0.0000670200000000, 0.0003884300000000 ] - [ -0.0004059600000000, 0.0000751000000000, 0.0003954300000000 ] - [ 0.0000738300000000, 0.0006325200000000, 0.0000425100000000 ] - [ 0.0000034700000000, 0.0005337000000000, 0.0001426200000000 ] - [ -0.0001546700000000, 0.0003590900000000, 0.0001008000000000 ] - [ 0.0000010700000000, 0.0004526900000000, 0.0001332500000000 ] - [ -0.0000203000000000, 0.0003685000000000, 0.0001136700000000 ] - [ -0.0000915600000000, 0.0003495900000000, 0.0001486700000000 ] - [ 0.0000887100000000, -0.0003496000000000, -0.0001061500000000 ] - [ 0.0001274900000000, -0.0005857500000000, -0.0009925400000000 ] - [ 0.0002107300000000, -0.0003979100000000, -0.0000951200000000 ] - [ -0.0004885800000000, -0.0006451700000000, 0.0000432000000000 ] - [ 0.0000077700000000, -0.0005494800000000, -0.0001234000000000 ] - [ -0.0000198700000000, -0.0005784800000000, -0.0001528600000000 ]- atom: 91 displacement: [ -0.0017265176572465, 0.0000000000000000, 0.0098498292766533 ] forces: - [ -0.0025389800000000, -0.0033758000000000, -0.0036061400000000 ] - [ -0.0008250800000000, -0.0007233600000000, -0.0007006600000000 ] - [ -0.0051406400000000, 0.0047477200000000, -0.0025362600000000 ] - [ -0.0005312300000000, -0.0009151400000000, -0.0008724400000000 ] - [ -0.0012803000000000, -0.0009723500000000, -0.0010347700000000 ] - [ -0.0011750600000000, -0.0009572300000000, -0.0009171600000000 ] - [ 0.0038730900000000, -0.0002628600000000, 0.0019154600000000 ] - [ -0.0773283000000000, 0.0190640100000000, 0.0353516900000000 ] - [ 0.0015602100000000, -0.0011580300000000, 0.0013832800000000 ] - [ 0.0008788300000000, -0.0005764200000000, 0.0018750000000000 ] - [ 0.0013460500000000, -0.0007642400000000, 0.0012143600000000 ] - [ 0.0011663500000000, -0.0017847800000000, 0.0015865200000000 ] - [ -0.0016846800000000, 0.0023218600000000, -0.0020951800000000 ] - [ -0.0009402200000000, 0.0007614100000000, -0.0007242100000000 ] - [ 0.0000050900000000, -0.0018094000000000, -0.0056493000000000 ] - [ -0.0009973000000000, 0.0009439100000000, -0.0008325800000000 ] - [ -0.0013842100000000, 0.0004823300000000, -0.0009978100000000 ] - [ -0.0012293700000000, 0.0007535800000000, -0.0009774500000000 ] - [ 0.0014216000000000, 0.0010345700000000, 0.0005286600000000 ] - [ 0.0010429500000000, 0.0015051500000000, -0.0006179000000000 ] - [ 0.0013483000000000, 0.0008449800000000, 0.0006062400000000 ] - [ 0.0011752800000000, 0.0002568600000000, -0.0002678400000000 ] - [ 0.0012871700000000, 0.0007831900000000, 0.0007629400000000 ] - [ 0.0011827500000000, 0.0010150200000000, 0.0004804900000000 ] - [ -0.0000745200000000, -0.0005179400000000, 0.0017075900000000 ] - [ -0.0003384100000000, -0.0005907300000000, 0.0014532800000000 ] - [ 0.0001085700000000, -0.0016471800000000, 0.0015421500000000 ] - [ -0.0002717800000000, -0.0006710900000000, 0.0015088700000000 ] - [ -0.0002397900000000, -0.0006158500000000, 0.0014544100000000 ] - [ -0.0002521400000000, -0.0006721300000000, 0.0014680400000000 ] - [ 0.0002889100000000, 0.0006070300000000, -0.0014156800000000 ] - [ 0.0003088300000000, 0.0005115900000000, -0.0013990500000000 ] - [ 0.0002503400000000, 0.0006489200000000, -0.0014135100000000 ] - [ 0.0002715700000000, 0.0006657400000000, -0.0013601300000000 ] - [ 0.0002427800000000, 0.0006545600000000, -0.0014602400000000 ] - [ 0.0002622700000000, 0.0006425000000000, -0.0014712600000000 ] - [ 0.0013292000000000, -0.0014705100000000, 0.0011446400000000 ] - [ 0.0012742900000000, -0.0002445200000000, 0.0000765600000000 ] - [ 0.0010300300000000, -0.0000628500000000, 0.0008939200000000 ] - [ 0.0013741100000000, -0.0002777800000000, 0.0001504200000000 ] - [ 0.0014196800000000, -0.0003404900000000, 0.0001365500000000 ] - [ 0.0013884900000000, -0.0003604100000000, 0.0001891700000000 ] - [ -0.0005490500000000, 0.0017106200000000, 0.0027720800000000 ] - [ -0.0003284700000000, 0.0005210000000000, 0.0013615800000000 ] - [ -0.0002207900000000, 0.0008785800000000, 0.0015153100000000 ] - [ -0.0002356800000000, 0.0007037800000000, 0.0014705000000000 ] - [ -0.0004119100000000, 0.0002802000000000, 0.0014099500000000 ] - [ -0.0002608600000000, 0.0006510800000000, 0.0014916900000000 ] - [ 0.0013502500000000, 0.0008830600000000, 0.0006949400000000 ] - [ 0.0013912800000000, 0.0003144700000000, 0.0002254900000000 ] - [ 0.0017826300000000, 0.0001176900000000, 0.0005432500000000 ] - [ 0.0013838600000000, 0.0003984500000000, 0.0002603900000000 ] - [ 0.0013762400000000, 0.0003698400000000, 0.0002419900000000 ] - [ 0.0014109800000000, 0.0004044400000000, 0.0002405500000000 ] - [ 0.0001797900000000, -0.0007866700000000, -0.0015396300000000 ] - [ 0.0002951300000000, -0.0003419400000000, -0.0014468100000000 ] - [ -0.0006087600000000, -0.0011960600000000, -0.0017364100000000 ] - [ 0.0006393300000000, -0.0044594100000000, -0.0050573000000000 ] - [ 0.0002425300000000, -0.0006250100000000, -0.0014662600000000 ] - [ 0.0002429400000000, -0.0006808100000000, -0.0014674600000000 ] - [ -0.0013872100000000, -0.0003200300000000, -0.0001180700000000 ] - [ -0.0014361000000000, -0.0002351400000000, 0.0001942800000000 ] - [ -0.0014178500000000, -0.0003145700000000, -0.0001526000000000 ] - [ -0.0014449400000000, -0.0001710200000000, -0.0000004900000000 ] - [ -0.0013813200000000, -0.0002828000000000, -0.0001467000000000 ] - [ -0.0014106100000000, -0.0002750500000000, -0.0000957000000000 ] - [ -0.0015747400000000, 0.0004203200000000, -0.0002344200000000 ] - [ 0.0091745300000000, -0.0003861500000000, -0.0067316300000000 ] - [ -0.0014847200000000, 0.0005086600000000, -0.0004218200000000 ] - [ -0.0012317000000000, 0.0003656000000000, -0.0004863500000000 ] - [ -0.0014317000000000, 0.0003642600000000, -0.0002325600000000 ] - [ -0.0013867300000000, 0.0005360200000000, -0.0004028700000000 ] - [ 0.0002572900000000, 0.0000746400000000, -0.0002346800000000 ] - [ 0.0004122600000000, 0.0000210600000000, -0.0003956700000000 ] - [ -0.0002803900000000, 0.0005541100000000, 0.0003845300000000 ] - [ 0.0005093600000000, 0.0000784400000000, -0.0004074500000000 ] - [ 0.0003301100000000, 0.0000910900000000, -0.0003397900000000 ] - [ 0.0004004900000000, 0.0000659700000000, -0.0003908700000000 ] - [ 0.0004178400000000, -0.0007380200000000, 0.0009494200000000 ] - [ 0.0001524200000000, -0.0003273600000000, 0.0004035600000000 ] - [ 0.0005622300000000, -0.0010063300000000, 0.0015166000000000 ] - [ 0.0001589700000000, -0.0003286400000000, 0.0004402500000000 ] - [ 0.0001812100000000, -0.0002063700000000, 0.0004535400000000 ] - [ 0.0001753400000000, -0.0002958600000000, 0.0004376600000000 ] - [ 0.0007741400000000, 0.0001539200000000, -0.0004918500000000 ] - [ 0.0002252300000000, -0.0001577200000000, -0.0003379900000000 ] - [ 0.0022995600000000, -0.0013981200000000, 0.0010855800000000 ] - [ -0.0000089800000000, -0.0001817500000000, -0.0002122500000000 ] - [ 0.0004239600000000, -0.0000570500000000, -0.0004110400000000 ] - [ 0.0003521500000000, -0.0000873800000000, -0.0003635400000000 ] - [ 0.0792701500000000, -0.0207642900000000, -0.0475852500000000 ] - [ -0.0007514500000000, -0.0003030100000000, 0.0001623700000000 ] - [ 0.0001497300000000, -0.0004629700000000, 0.0000348500000000 ] - [ -0.0001522000000000, -0.0003707300000000, 0.0001410300000000 ] - [ 0.0000973500000000, -0.0004456900000000, -0.0000177600000000 ] - [ -0.0001105000000000, -0.0004270200000000, 0.0001094600000000 ] - [ -0.0004620900000000, 0.0006388900000000, -0.0008638800000000 ] - [ -0.0082029900000000, -0.0054991100000000, 0.0166646300000000 ] - [ -0.0002288300000000, 0.0003640600000000, -0.0005147400000000 ] - [ -0.0001930800000000, 0.0002942900000000, -0.0005219500000000 ] - [ -0.0002367500000000, 0.0003692100000000, -0.0005156400000000 ] - [ -0.0003614900000000, 0.0010588100000000, -0.0006680000000000 ] - [ -0.0005374400000000, -0.0000096100000000, 0.0002573000000000 ] - [ -0.0008056400000000, 0.0004057800000000, 0.0011206800000000 ] - [ -0.0003905100000000, -0.0001086000000000, 0.0003161300000000 ] - [ -0.0002460000000000, -0.0002740400000000, 0.0002137800000000 ] - [ -0.0003089500000000, -0.0000863600000000, 0.0003028600000000 ] - [ -0.0004765400000000, 0.0000191200000000, 0.0003903200000000 ] - [ -0.0002344400000000, -0.0003417700000000, -0.0004076200000000 ] - [ -0.0000285300000000, -0.0002751000000000, -0.0000183800000000 ] - [ -0.0002073300000000, -0.0002846100000000, -0.0003592800000000 ] - [ 0.0002795400000000, 0.0006217000000000, 0.0006088900000000 ] - [ -0.0001600600000000, -0.0002592300000000, -0.0003407300000000 ] - [ -0.0000947700000000, -0.0002017200000000, -0.0002460800000000 ] - [ -0.0001172100000000, 0.0004655900000000, -0.0000718000000000 ] - [ 0.0004982400000000, 0.0002798800000000, -0.0001708400000000 ] - [ -0.0002161200000000, 0.0004768000000000, -0.0000727000000000 ] - [ -0.0002577900000000, 0.0011400800000000, 0.0013965400000000 ] - [ -0.0000206800000000, 0.0005134200000000, -0.0001179500000000 ] - [ 0.0001027800000000, 0.0005025700000000, -0.0001485600000000 ] - [ -0.0013087400000000, 0.0100070300000000, 0.0061360500000000 ] - [ -0.0001852100000000, -0.0000982400000000, -0.0000487300000000 ] - [ 0.0001735800000000, -0.0003951000000000, -0.0003582300000000 ] - [ 0.0000747600000000, 0.0002334700000000, 0.0002575400000000 ] - [ 0.0002413500000000, 0.0004486000000000, 0.0004902400000000 ] - [ 0.0001523300000000, 0.0002436400000000, 0.0003604300000000 ] - [ -0.0005968900000000, -0.0000336300000000, 0.0005496400000000 ] - [ -0.0004111300000000, -0.0000749500000000, 0.0006128600000000 ] - [ -0.0004992900000000, 0.0000307600000000, 0.0004665800000000 ] - [ -0.0003304200000000, 0.0001110700000000, 0.0004562300000000 ] - [ -0.0004477200000000, 0.0000654800000000, 0.0004352800000000 ] - [ -0.0003707700000000, 0.0000631700000000, 0.0004416100000000 ] - [ -0.0001718800000000, 0.0003827000000000, 0.0003273500000000 ] - [ -0.0000752400000000, 0.0004841200000000, 0.0001354800000000 ] - [ -0.0001211600000000, 0.0004541300000000, 0.0003070300000000 ] - [ -0.0000346700000000, 0.0004495200000000, 0.0001277600000000 ] - [ -0.0000944400000000, 0.0003655500000000, 0.0002040500000000 ] - [ -0.0000451700000000, 0.0003942700000000, 0.0001419900000000 ] - [ 0.0000108500000000, -0.0004186000000000, -0.0001841400000000 ] - [ 0.0001506100000000, -0.0001493000000000, 0.0002945700000000 ] - [ 0.0000016300000000, -0.0004227200000000, -0.0001428800000000 ] - [ 0.0000071400000000, -0.0012825300000000, 0.0003150200000000 ] - [ 0.0000622600000000, -0.0004892900000000, -0.0001429400000000 ] - [ 0.0000075500000000, -0.0004872900000000, -0.0001120400000000 ]- atom: 91 displacement: [ 0.0017265176572465, 0.0000000000000000, -0.0098498292766533 ] forces: - [ -0.0000083700000000, 0.0016408100000000, 0.0016861400000000 ] - [ -0.0017032000000000, -0.0009922400000000, -0.0012157000000000 ] - [ 0.0026452900000000, -0.0065175500000000, 0.0006303400000000 ] - [ -0.0020043700000000, -0.0007957200000000, -0.0010225600000000 ] - [ -0.0012665900000000, -0.0007638300000000, -0.0009266200000000 ] - [ -0.0013504100000000, -0.0007925900000000, -0.0010125600000000 ] - [ -0.0012992200000000, -0.0014475800000000, 0.0000318300000000 ] - [ 0.0805846400000000, -0.0210980900000000, -0.0330033600000000 ] - [ 0.0009920600000000, -0.0005772500000000, 0.0005664400000000 ] - [ 0.0016477500000000, -0.0011661800000000, 0.0000832000000000 ] - [ 0.0011924000000000, -0.0009896200000000, 0.0007000100000000 ] - [ 0.0013601700000000, 0.0000388500000000, 0.0003362000000000 ] - [ -0.0008599600000000, -0.0005796400000000, 0.0001811700000000 ] - [ -0.0015832200000000, 0.0009501900000000, -0.0011384300000000 ] - [ -0.0025300300000000, 0.0034952000000000, 0.0036544500000000 ] - [ -0.0015394900000000, 0.0007865200000000, -0.0010869800000000 ] - [ -0.0011579500000000, 0.0012489600000000, -0.0009584900000000 ] - [ -0.0013256700000000, 0.0009803700000000, -0.0009927700000000 ] - [ 0.0011226200000000, 0.0007191400000000, 0.0013787600000000 ] - [ 0.0014801900000000, 0.0002611100000000, 0.0025263300000000 ] - [ 0.0011973900000000, 0.0008847500000000, 0.0013056500000000 ] - [ 0.0013512100000000, 0.0014631000000000, 0.0021550700000000 ] - [ 0.0012596900000000, 0.0009308900000000, 0.0011529600000000 ] - [ 0.0013599200000000, 0.0007166200000000, 0.0014546400000000 ] - [ -0.0004274800000000, -0.0007612400000000, 0.0012343700000000 ] - [ -0.0001367500000000, -0.0007184500000000, 0.0015016400000000 ] - [ -0.0005881700000000, 0.0002876800000000, 0.0014352000000000 ] - [ -0.0001630300000000, -0.0006999500000000, 0.0014806300000000 ] - [ -0.0002637500000000, -0.0007553100000000, 0.0014780800000000 ] - [ -0.0002082100000000, -0.0007347100000000, 0.0014760700000000 ] - [ 0.0001906600000000, 0.0007722800000000, -0.0015342000000000 ] - [ 0.0001947600000000, 0.0008423000000000, -0.0015435400000000 ] - [ 0.0001870600000000, 0.0007416200000000, -0.0015502800000000 ] - [ 0.0002110000000000, 0.0006824000000000, -0.0015920200000000 ] - [ 0.0002353300000000, 0.0006433100000000, -0.0014852200000000 ] - [ 0.0002289200000000, 0.0007018600000000, -0.0014885000000000 ] - [ 0.0014819300000000, 0.0007312900000000, -0.0007149000000000 ] - [ 0.0015780400000000, -0.0004768600000000, 0.0003668800000000 ] - [ 0.0017402500000000, -0.0005603700000000, -0.0004872400000000 ] - [ 0.0014392200000000, -0.0003680700000000, 0.0002667200000000 ] - [ 0.0013761800000000, -0.0004543200000000, 0.0003069700000000 ] - [ 0.0014224200000000, -0.0004336700000000, 0.0002583300000000 ] - [ 0.0000363300000000, -0.0003653300000000, 0.0001842600000000 ] - [ -0.0001545800000000, 0.0007966200000000, 0.0015667200000000 ] - [ -0.0003002700000000, 0.0004727500000000, 0.0014106600000000 ] - [ -0.0002439500000000, 0.0006703800000000, 0.0014712300000000 ] - [ -0.0000715700000000, 0.0010138600000000, 0.0015555800000000 ] - [ -0.0002073400000000, 0.0006519900000000, 0.0014884300000000 ] - [ 0.0014555200000000, -0.0002396600000000, -0.0002700300000000 ] - [ 0.0014000400000000, 0.0003598900000000, 0.0002323100000000 ] - [ 0.0010538100000000, 0.0006385700000000, -0.0000596100000000 ] - [ 0.0014561200000000, 0.0003553600000000, 0.0002209200000000 ] - [ 0.0014145000000000, 0.0004094700000000, 0.0001763300000000 ] - [ 0.0014096800000000, 0.0003807100000000, 0.0002140500000000 ] - [ 0.0002806900000000, -0.0005447600000000, -0.0014227600000000 ] - [ 0.0001979000000000, -0.0009847700000000, -0.0015024100000000 ] - [ 0.0010792300000000, -0.0001506200000000, -0.0012348400000000 ] - [ -0.0002096400000000, 0.0031365300000000, 0.0021085800000000 ] - [ 0.0002281000000000, -0.0007130400000000, -0.0014726700000000 ] - [ 0.0002791500000000, -0.0006228600000000, -0.0014430800000000 ] - [ -0.0014333600000000, -0.0004482300000000, -0.0003119300000000 ] - [ -0.0013606600000000, -0.0005507500000000, -0.0006361800000000 ] - [ -0.0014378100000000, -0.0004178300000000, -0.0002943800000000 ] - [ -0.0013718900000000, -0.0005567500000000, -0.0004509300000000 ] - [ -0.0014258100000000, -0.0004020000000000, -0.0002982100000000 ] - [ -0.0013747600000000, -0.0004248300000000, -0.0003994900000000 ] - [ -0.0012379900000000, 0.0003934500000000, -0.0002370500000000 ] - [ -0.0120418700000000, 0.0012143400000000, 0.0062229800000000 ] - [ -0.0013175300000000, 0.0001642000000000, -0.0000546400000000 ] - [ -0.0015528300000000, 0.0002877900000000, 0.0000543600000000 ] - [ -0.0014112600000000, 0.0003202600000000, -0.0001816200000000 ] - [ -0.0014295100000000, 0.0001508200000000, 0.0000246500000000 ] - [ 0.0005244200000000, 0.0000156000000000, -0.0005147600000000 ] - [ 0.0003605100000000, 0.0000628800000000, -0.0003360200000000 ] - [ 0.0010268100000000, -0.0003161400000000, -0.0011398300000000 ] - [ 0.0002604500000000, 0.0001532200000000, -0.0003397300000000 ] - [ 0.0004330500000000, 0.0000350700000000, -0.0004357700000000 ] - [ 0.0003873600000000, 0.0000543300000000, -0.0003966800000000 ] - [ -0.0000283700000000, 0.0000567700000000, -0.0001032200000000 ] - [ 0.0001956000000000, -0.0003510300000000, 0.0004289900000000 ] - [ -0.0002117800000000, 0.0004176700000000, -0.0007100800000000 ] - [ 0.0001683000000000, -0.0002294000000000, 0.0003421700000000 ] - [ 0.0001846500000000, -0.0003729400000000, 0.0003668300000000 ] - [ 0.0001797600000000, -0.0002918400000000, 0.0003941300000000 ] - [ -0.0000271500000000, -0.0003499600000000, -0.0002708800000000 ] - [ 0.0005613900000000, -0.0000381800000000, -0.0004368400000000 ] - [ -0.0016080000000000, 0.0013430000000000, -0.0018649000000000 ] - [ 0.0007980300000000, 0.0000950100000000, -0.0005331400000000 ] - [ 0.0003003400000000, -0.0000937700000000, -0.0003474600000000 ] - [ 0.0004362400000000, -0.0000766500000000, -0.0003776300000000 ] - [ -0.0802156900000000, 0.0200220900000000, 0.0476461800000000 ] - [ 0.0006813600000000, -0.0006482900000000, 0.0000640600000000 ] - [ -0.0002649000000000, -0.0003437800000000, 0.0002639700000000 ] - [ 0.0000727100000000, -0.0004241700000000, 0.0001413700000000 ] - [ -0.0001808600000000, -0.0004482400000000, 0.0002364100000000 ] - [ 0.0000464500000000, -0.0004721800000000, 0.0000975900000000 ] - [ 0.0000941300000000, -0.0000050600000000, 0.0000315300000000 ] - [ 0.0080947300000000, 0.0062451900000000, -0.0178957400000000 ] - [ -0.0001071900000000, 0.0001832400000000, -0.0002568800000000 ] - [ -0.0001435800000000, 0.0002713300000000, -0.0002539500000000 ] - [ -0.0001474800000000, 0.0002933700000000, -0.0003219800000000 ] - [ 0.0000021500000000, -0.0004125300000000, -0.0001664700000000 ] - [ -0.0002559300000000, -0.0000863700000000, 0.0005088300000000 ] - [ 0.0000257800000000, -0.0004566700000000, -0.0002892600000000 ] - [ -0.0004150600000000, -0.0001196600000000, 0.0004607300000000 ] - [ -0.0004894300000000, 0.0000431800000000, 0.0005600000000000 ] - [ -0.0004884700000000, -0.0000338000000000, 0.0004532100000000 ] - [ -0.0002769000000000, -0.0001233800000000, 0.0003714600000000 ] - [ -0.0001349300000000, -0.0002544800000000, -0.0004286000000000 ] - [ -0.0003300200000000, -0.0003376300000000, -0.0007909800000000 ] - [ -0.0001553600000000, -0.0003240800000000, -0.0004622100000000 ] - [ -0.0006413100000000, -0.0012406000000000, -0.0014220800000000 ] - [ -0.0001865800000000, -0.0003431700000000, -0.0004419000000000 ] - [ -0.0002315900000000, -0.0003742500000000, -0.0005160300000000 ] - [ 0.0002038900000000, 0.0003970100000000, -0.0001385000000000 ] - [ -0.0004210600000000, 0.0005775400000000, -0.0000047100000000 ] - [ 0.0003349500000000, 0.0003207700000000, -0.0002465800000000 ] - [ 0.0003665900000000, -0.0003270300000000, -0.0016489700000000 ] - [ 0.0000834600000000, 0.0004675000000000, -0.0001571700000000 ] - [ -0.0000157700000000, 0.0004893800000000, -0.0001059700000000 ] - [ 0.0016754400000000, -0.0095100700000000, -0.0053823800000000 ] - [ 0.0005246200000000, 0.0007020500000000, 0.0008076500000000 ] - [ 0.0001795300000000, 0.0010264500000000, 0.0011976600000000 ] - [ 0.0003011100000000, 0.0003969400000000, 0.0005598500000000 ] - [ 0.0001122900000000, 0.0001387500000000, 0.0003522800000000 ] - [ 0.0002211900000000, 0.0003134300000000, 0.0004789700000000 ] - [ -0.0001597100000000, 0.0001795200000000, 0.0002052700000000 ] - [ -0.0003355400000000, 0.0002101300000000, 0.0001654500000000 ] - [ -0.0002848300000000, 0.0000778000000000, 0.0002826100000000 ] - [ -0.0004081400000000, 0.0000127600000000, 0.0002989500000000 ] - [ -0.0003178600000000, 0.0001184200000000, 0.0003221600000000 ] - [ -0.0003944500000000, 0.0001261500000000, 0.0003425500000000 ] - [ 0.0000852500000000, 0.0006008100000000, -0.0000591200000000 ] - [ -0.0000549500000000, 0.0004956400000000, 0.0001353700000000 ] - [ 0.0000309900000000, 0.0004292800000000, -0.0000870600000000 ] - [ -0.0000484700000000, 0.0004395000000000, 0.0001077400000000 ] - [ 0.0000134000000000, 0.0004255900000000, 0.0000696100000000 ] - [ -0.0000809700000000, 0.0003680200000000, 0.0001416900000000 ] - [ 0.0000708000000000, -0.0003510800000000, -0.0000751000000000 ] - [ -0.0000205400000000, -0.0006215700000000, -0.0005873400000000 ] - [ 0.0000582500000000, -0.0004505500000000, -0.0000359100000000 ] - [ 0.0000979200000000, 0.0003969500000000, -0.0005207800000000 ] - [ 0.0000299900000000, -0.0005125800000000, -0.0001138000000000 ] - [ 0.0000872700000000, -0.0004927500000000, -0.0001747400000000 ]